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Merge branch 'master' of /home/noisy3/OpenFOAM/OpenFOAM-dev

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mattijs
2009-06-30 22:21:21 +01:00
parent 3852087d1a e77c7a9bb6
commit 55a9be9cea
237 changed files with 5947 additions and 3446 deletions
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8
tutorials/compressible/rhoCentralFoam/LadenburgJet60psi/system/machines
View File

@ -1,8 +0,0 @@
borg1
borg2
borg3
borg4
borg5
borg6
borg7
borg8

163
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/blockMeshDict
View File

@ -1,163 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 0.25e-9;
vertices
(
(0 0 0) //0
(15 0 0)
(15 3 0)
(0 3 0)
(0 0 12)
(15 0 12)
(15 3 12)
(0 3 12) //7
(22 0 0)
(22 3 0)
(22 0 12)
(22 3 12) //11
(31 0 0)
(31 3 0)
(31 0 12)
(31 3 12) //15
(20 9 0)
(17 9 0)
(20 9 12)
(17 9 12) //19
(0 9 0)
(0 9 12) //21
(31 9 0)
(31 9 12) //23
(17 18 0)
(0 18 0)
(17 18 12)
(0 18 12) //27
(31 18 0)
(20 18 0)
(31 18 12)
(20 18 12) //31
(17 21 0)
(0 21 0)
(17 21 12)
(0 21 12) //35
(31 21 0)
(20 21 0)
(31 21 12)
(20 21 12) //39
(17 25 0)
(0 25 0)
(17 25 12)
(0 25 12) // 43
(31 25 0)
(20 25 0)
(31 25 12)
(20 25 12) // 47
);
blocks
(
hex (0 1 2 3 4 5 6 7) bottomWall (15 3 6) simpleGrading (1 1 1) //1
hex (1 8 9 2 5 10 11 6) bottomWall (3 3 6) simpleGrading (1 1 1) //2
hex (2 9 16 17 6 11 18 19) bottomWall (3 6 6) simpleGrading (1 1 1) //3
hex (8 12 13 9 10 14 15 11) bottomWall (9 3 6) simpleGrading (1 1 1) //4
hex (3 2 17 20 7 6 19 21) liquid (15 6 6) simpleGrading (1 1 1) //5
hex (20 17 24 25 21 19 26 27) liquid (15 9 6) simpleGrading (1 1 1) //6
hex (25 24 32 33 27 26 34 35) liquid (15 3 6) simpleGrading (1 1 1) //6A
hex (17 16 29 24 19 18 31 26) liquid (3 9 6) simpleGrading (1 1 1) //7
hex (16 22 28 29 18 23 30 31) liquid (9 9 6) simpleGrading (1 1 1) //8
hex (29 28 36 37 31 30 38 39) liquid (9 3 6) simpleGrading (1 1 1) //8A
hex (9 13 22 16 11 15 23 18) liquid (9 6 6) simpleGrading (1 1 1) //9
hex (33 32 40 41 35 34 42 43) topWall (15 3 6) simpleGrading (1 1 1) //10
hex (32 37 45 40 34 39 47 42) topWall (3 3 6) simpleGrading (1 1 1) //11
hex (24 29 37 32 26 31 39 34) topWall (3 3 6) simpleGrading (1 1 1) //12
hex (37 36 44 45 39 38 46 47) topWall (9 3 6) simpleGrading (1 1 1) //13
);
patches
(
cyclic
periodicX
(
(0 4 7 3)
(3 7 21 20)
(20 21 27 25)
(25 27 35 33)
(33 35 43 41)
(12 13 15 14)
(13 22 23 15)
(22 28 30 23)
(28 36 38 30)
(36 44 46 38)
)
cyclic
periodicZ
(
(0 3 2 1)
(1 2 9 8)
(8 9 13 12)
(2 17 16 9)
(2 3 20 17)
(9 16 22 13)
(17 20 25 24)
(16 29 28 22)
(16 17 24 29)
(24 25 33 32)
(28 29 37 36)
(32 33 41 40)
(36 37 45 44)
(32 40 45 37)
(24 32 37 29)
(4 5 6 7)
(5 10 11 6)
(10 14 15 11)
(6 11 18 19)
(7 6 19 21)
(11 15 23 18)
(19 26 27 21)
(18 23 30 31)
(18 31 26 19)
(26 34 35 27)
(30 38 39 31)
(34 42 43 35)
(38 46 47 39)
(34 39 47 42)
(26 31 39 34)
)
wall
outerBoundaryBottom
(
(0 1 5 4)
(1 8 10 5)
(8 12 14 10)
)
wall
outerBoundaryTop
(
(40 41 43 42)
(44 45 47 46)
(40 42 47 45)
)
);
mergePatchPairs
(
);
// ************************************************************************* //

64
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict
View File

@ -1,64 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
bottomWall
{
massDensity 1220;
temperature 300;
velocityDistribution maxwellian;
bulkVelocity ( 0 0 0 );
id Ar;
mass 6.63352033e-26;
latticeStructure FCC;
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
anchorSpecifies molecule;
tethered yes;
orientationAngles ( 30 0 0 );
}
liquid
{
massDensity 1100;
temperature 250;
velocityDistribution maxwellian;
bulkVelocity ( 245 0 0 );
id Ne;
mass 3.350996347e-26;
latticeStructure SC;
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
anchorSpecifies molecule;
tethered no;
orientationAngles ( 45 0 0 );
}
topWall
{
massDensity 1220;
temperature 200;
velocityDistribution maxwellian;
bulkVelocity ( 0 0 0 );
id Ar;
mass 6.63352033e-26;
latticeStructure BCC;
anchor ( 1.05e-09 3.18e-09 2.87e-09 );
anchorSpecifies corner;
tethered yes;
orientationAngles ( 0 0 0 );
}
// ************************************************************************* //

104
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/potentialDict
View File

@ -1,104 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object potentialDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
removalOrder 2 ( Ne Ar );
pair
{
Ar-Ar
{
pairPotential maitlandSmith;
rCut 1e-09;
rMin 1.5e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 7.5;
rm 3.756e-10;
epsilon 1.990108438e-21;
}
energyScalingFunction doubleSigmoid;
doubleSigmoidCoeffs
{
shift1 9e-10;
scale1 -64771072;
shift2 9.7e-10;
scale2 -259084288;
}
writeTables yes;
}
Ar-Ne
{
pairPotential maitlandSmith;
rCut 9e-10;
rMin 1e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 4;
rm 3.48e-10;
epsilon 8.765026657e-22;
}
energyScalingFunction shiftedForce;
writeTables yes;
}
Ne-Ne
{
pairPotential maitlandSmith;
rCut 8e-10;
rMin 1e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 5;
rm 3.0739e-10;
epsilon 5.813260729e-22;
}
energyScalingFunction shiftedForce;
writeTables yes;
}
}
tether
{
Ar
{
tetherPotential restrainedHarmonicSpring;
restrainedHarmonicSpringCoeffs
{
springConstant 0.1;
rR 1.2e-09;
}
}
}
external
{
gravity ( 0 0 0 );
}
// ************************************************************************* //

64
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/molConfigDict
View File

@ -1,64 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
sectionA
{
massDensity 1220;
temperature 300;
velocityDistribution maxwellian;
bulkVelocity ( -250 0 0 );
id Ar;
mass 6.63352033e-26;
latticeStructure SC;
anchor ( 0 0 0 );
anchorSpecifies molecule;
tethered no;
orientationAngles ( 0 0 0 );
}
sectionB
{
massDensity 1220;
temperature 300;
velocityDistribution maxwellian;
bulkVelocity ( -250 0 0 );
id Ne;
mass 3.350917e-26;
latticeStructure SC;
anchor ( 0 0 0 );
anchorSpecifies molecule;
tethered no;
orientationAngles ( 0 0 0 );
}
sectionC
{
massDensity 1220;
temperature 300;
velocityDistribution maxwellian;
bulkVelocity ( -250 0 0 );
id Ar;
mass 6.63352033e-26;
latticeStructure SC;
anchor ( 0 0 0 );
anchorSpecifies molecule;
tethered no;
orientationAngles ( 0 0 0 );
}
// ************************************************************************* //

86
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/potentialDict
View File

@ -1,86 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object potentialDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
removalOrder 1 ( Ar );
pair
{
Ar-Ar
{
pairPotential maitlandSmith;
rCut 1e-09;
rMin 1.5e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 7.5;
rm 3.756e-10;
epsilon 1.990108438e-21;
}
energyScalingFunction doubleSigmoid;
doubleSigmoidCoeffs
{
shift1 9e-10;
scale1 -64771072;
shift2 9.7e-10;
scale2 -259084288;
}
writeTables no;
}
Ar-Ne
{
pairPotential maitlandSmith;
rCut 9e-10;
rMin 1e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 4;
rm 3.48e-10;
epsilon 8.765026657e-22;
}
energyScalingFunction shiftedForce;
writeTables no;
}
Ne-Ne
{
pairPotential maitlandSmith;
rCut 8e-10;
rMin 1e-10;
dr 5e-14;
maitlandSmithCoeffs
{
m 13;
gamma 5;
rm 3.0739e-10;
epsilon 5.813260729e-22;
}
energyScalingFunction shiftedForce;
writeTables no;
}
}
// ************************************************************************* //

19
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allclean
View File

@ -3,9 +3,20 @@
# Source tutorial clean functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cd periodicCube
rm -rf 0
rm -rf Ar-Ar
rm -rf constant/idList
cd periodicCubeArgon
rm -rf 0/*
rm -f Ar-Ar
rm -f electrostatic
rm -f constant/idList
rm -rf constant/polyMesh/sets
cleanCase
cd ..
cd periodicCubeWater
rm -rf 0/*
rm -f O-O
rm -f electrostatic
rm -f constant/idList
rm -rf constant/polyMesh/sets
cleanCase
cd ..

15
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/Allrun
View File

@ -5,9 +5,14 @@
application="mdEquilibrationFoam"
cd periodicCube
runApplication blockMesh
runApplication molConfig
runApplication $application
cd ..
# cd periodicCubeArgon
# runApplication blockMesh
# runApplication mdInitialise
# runApplication $application
# cd ..
cd periodicCubeWater
runApplication blockMesh
runApplication mdInitialise
runApplication $application
cd ..

34
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/molConfigDict
View File

@ -1,34 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
liquid
{
massDensity 1220;
temperature 300;
velocityDistribution maxwellian;
bulkVelocity ( 0 0 0 );
id Ar;
mass 6.63352033e-26;
latticeStructure SC;
anchor ( 0 0 0 );
anchorSpecifies molecule;
tethered no;
orientationAngles ( 0 0 0 );
}
// ************************************************************************* //

65
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/potentialDict
View File

@ -1,65 +0,0 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object potentialDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
removalOrder 1 ( Ar );
pair
{
Ar-Ar
{
pairPotential azizChen;
rCut 1.2e-09;
rMin 1.5e-10;
dr 2e-14;
azizChenCoeffs
{
epsilon 1.97742255e-21;
rm 3.759e-10;
A 9502720;
alpha 16.345655;
C6 1.0914254;
C8 0.6002595;
C10 0.3700113;
D 1.4;
gamma 2;
}
energyScalingFunction noScaling;
writeTables yes;
}
}
tether
{
Ar
{
tetherPotential restrainedHarmonicSpring;
restrainedHarmonicSpringCoeffs
{
springConstant 0.0277;
rR 1.2e-09;
}
}
}
external
{
gravity ( 0 0 0 );
}
// ************************************************************************* //

36
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/moleculeProperties Normal file
View File

@ -0,0 +1,36 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object moleculeProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
Ar
{
siteIds (Ar);
pairPotentialSiteIds (Ar);
siteReferencePositions
(
(0 0 0)
);
siteMasses
(
6.63352033e-26
);
siteCharges
(
0
);
}
// ************************************************************************* //

73
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/blockMeshDict Normal file
View File

@ -0,0 +1,73 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 2.462491658e-9;
vertices
(
(-1 -1 -1)
(1 -1 -1)
(1 1 -1)
(-1 1 -1)
(-1 -1 1)
(1 -1 1)
(1 1 1)
(-1 1 1)
);
blocks
(
hex (0 1 2 3 4 5 6 7) liquid (12 12 12) simpleGrading (1 1 1)
);
patches
(
cyclic
periodicX
(
(1 2 6 5)
(0 4 7 3)
)
cyclic
periodicY
(
(2 3 7 6)
(0 1 5 4)
)
cyclic
periodicZ
(
(0 3 2 1)
(4 5 6 7)
)
)
mergePatchPairs
(
);
// ************************************************************************* //

4
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/boundary → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/constant/polyMesh/boundary
View File

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile

4
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/controlDict → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/controlDict
View File

@ -2,7 +2,7 @@
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -10,7 +10,6 @@ FoamFile
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -45,5 +44,4 @@ runTimeModifiable yes;
adjustTimeStep no;
// ************************************************************************* //

64
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/decomposeParDict Normal file
View File

@ -0,0 +1,64 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 2;
method simple;
simpleCoeffs
{
n (2 1 1);
delta 0.001;
}
hierarchicalCoeffs
{
n (1 1 1);
delta 0.001;
order xyz;
}
metisCoeffs
{
processorWeights
(
1
3
);
}
manualCoeffs
{
dataFile "";
}
distributed no;
roots
(
);
// ************************************************************************* //

14
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSchemes → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSchemes
View File

@ -17,43 +17,37 @@ FoamFile
ddtSchemes
{
default Euler;
default none;
}
gradSchemes
{
default Gauss linear;
grad(p) Gauss linear;
default none;
}
divSchemes
{
default none;
div(phi,U) Gauss linear;
}
laplacianSchemes
{
default none;
laplacian(nu,U) Gauss linear corrected;
laplacian(1|A(U),p) Gauss linear corrected;
}
interpolationSchemes
{
default linear;
interpolate(HbyA) linear;
default none;
}
snGradSchemes
{
default corrected;
default none;
}
fluxRequired
{
default no;
p ;
}

7
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdEquilibrationDict → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/fvSolution
View File

@ -11,11 +11,12 @@ FoamFile
format ascii;
class dictionary;
location "system";
object mdEquilibrationDict;
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
equilibrationTargetTemperature 300;
solvers
{
}
// ************************************************************************* //

19
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdEquilibrationDict Normal file
View File

@ -0,0 +1,19 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object mdEquilibrationDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
equilibrationTargetTemperature 300.0;
// ************************************************************************* //

44
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/mdInitialiseDict Normal file
View File

@ -0,0 +1,44 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Euler angles, expressed in degrees as phi, theta, psi, see
// http://mathworld.wolfram.com/EulerAngles.html
liquid
{
massDensity 1220;
temperature 300;
bulkVelocity (0.0 0.0 0.0);
latticeIds (Ar);
tetherSiteIds ();
latticePositions
(
(0 0 0)
);
anchor (0 0 0);
orientationAngles (0 0 0);
latticeCellShape (1 1 1);
}
// ************************************************************************* //

121
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeArgon/system/potentialDict Normal file
View File

@ -0,0 +1,121 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
n| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object potentials;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Subdictionaries specifying types of intermolecular potential.
// Sub-sub dictionaries specify the potentials themselves.
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Removal order
// This is the order in which to remove overlapping pairs if more than one
// type of molecule is present. The most valuable molecule type is at the
// right hand end, the molecule that will be removed 1st is 1st on the list.
// Not all types need to be present, a molecule that is not present is
// automatically less valuable than any on the list. For molecules of the
// same type there is no control over which is removed.
removalOrder ( Ar );
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Potential Energy Limit
// Maximum permissible pair energy allowed at startup. Used to remove
// overlapping molecules created during preprocessing.
potentialEnergyLimit 1e-18;
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Pair potentials
// If there are r different type of molecules, and a pair force is required
// between all combinations, then there are C = r(r+1)/2 combinations,
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
// Pair potentials are specified by the combinaition of their ids,
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
// (strictly OR, both or neither is an error)
pair
{
Ar-Ar
{
pairPotential maitlandSmith;
rCut 1.0e-9;
rMin 0.15e-9;
dr 5e-14;
maitlandSmithCoeffs
{
m 13.0;
gamma 7.5;
rm 0.3756e-9;
epsilon 1.990108438e-21;
}
energyScalingFunction doubleSigmoid;
doubleSigmoidCoeffs
{
shift1 0.9e-9;
scale1 0.3e11;
shift2 0.97e-9;
scale2 1.2e11;
}
writeTables yes;
}
electrostatic
{
pairPotential dampedCoulomb;
rCut 1.0e-9;
rMin 0.1e-9;
dr 2e-12;
dampedCoulombCoeffs
{
alpha 2e9;
}
energyScalingFunction shiftedForce;
writeTables yes;
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Tethering Potentials
tether
{
O
{
tetherPotential restrainedHarmonicSpring;
restrainedHarmonicSpringCoeffs
{
springConstant 0.277;
rR 1.2e-9;
}
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// External Forces
// Bulk external forces (namely gravity) will be specified as forces rather
// than potentials to allow their direction to be controlled.
external
{
gravity (0 0 0);
}
// ************************************************************************* //

72
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/moleculeProperties Normal file
View File

@ -0,0 +1,72 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object moleculeProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
water
{
siteIds (H H O M);
pairPotentialSiteIds (O);
siteReferencePositions
(
(7.56950327263661e-11 5.85882276618295e-11 0)
(-7.56950327263661e-11 5.85882276618295e-11 0)
(0 0 0)
(0 1.5e-11 0)
);
siteMasses
(
1.67353255e-27
1.67353255e-27
2.6560176e-26
0
);
siteCharges
(
8.3313177324e-20
8.3313177324e-20
0
-1.66626354648e-19
);
}
water2
{
siteIds (H2 H2 O M2);
pairPotentialSiteIds (O);
siteReferencePositions
(
(7.56950327263661e-11 5.85882276618295e-11 0)
(-7.56950327263661e-11 5.85882276618295e-11 0)
(0 0 0)
(0 1.5e-11 0)
);
siteMasses
(
1.67353255e-27
1.67353255e-27
2.6560176e-26
0
);
siteCharges
(
8.3313177324e-20
8.3313177324e-20
0
-1.66626354648e-19
);
}
// ************************************************************************* //

73
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/blockMeshDict Normal file
View File

@ -0,0 +1,73 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 2.10840e-9;
vertices
(
(-1 -1 -1)
(1 -1 -1)
(1 1 -1)
(-1 1 -1)
(-1 -1 1)
(1 -1 1)
(1 1 1)
(-1 1 1)
);
blocks
(
hex (0 1 2 3 4 5 6 7) liquid (12 12 11) simpleGrading (1 1 1)
);
patches
(
cyclic
periodicX
(
(1 2 6 5)
(0 4 7 3)
)
cyclic
periodicY
(
(2 3 7 6)
(0 1 5 4)
)
cyclic
periodicZ
(
(0 3 2 1)
(4 5 6 7)
)
)
mergePatchPairs
(
);
// ************************************************************************* //

33
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/constant/polyMesh/boundary → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/constant/polyMesh/boundary
View File

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -15,34 +15,29 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
4
3
(
periodicX
{
type cyclic;
nFaces 288;
startFace 10710;
nFaces 264;
startFace 4344;
featureCos 0.9;
}
periodicY
{
type cyclic;
nFaces 264;
startFace 4608;
featureCos 0.9;
}
periodicZ
{
type cyclic;
nFaces 1296;
startFace 10998;
nFaces 288;
startFace 4872;
featureCos 0.9;
}
outerBoundaryBottom
{
type wall;
nFaces 162;
startFace 12294;
}
outerBoundaryTop
{
type wall;
nFaces 162;
startFace 12456;
}
)
// ************************************************************************* //

10
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/controlDict → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/controlDict
View File

@ -2,7 +2,7 @@
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -10,7 +10,6 @@ FoamFile
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
@ -21,13 +20,13 @@ startTime 0;
stopAt endTime;
endTime 3e-11;
endTime 5e-12;
deltaT 1e-14;
deltaT 1e-15;
writeControl runTime;
writeInterval 1e-12;
writeInterval 2e-13;
purgeWrite 0;
@ -45,5 +44,4 @@ runTimeModifiable yes;
adjustTimeStep no;
// ************************************************************************* //

64
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/decomposeParDict Normal file
View File

@ -0,0 +1,64 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
method simple;
simpleCoeffs
{
n (2 2 1);
delta 0.001;
}
hierarchicalCoeffs
{
n (1 1 1);
delta 0.001;
order xyz;
}
metisCoeffs
{
processorWeights
(
1
3
);
}
manualCoeffs
{
dataFile "";
}
distributed no;
roots
(
);
// ************************************************************************* //

14
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSchemes → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSchemes
View File

@ -17,43 +17,37 @@ FoamFile
ddtSchemes
{
default Euler;
default none;
}
gradSchemes
{
default Gauss linear;
grad(p) Gauss linear;
default none;
}
divSchemes
{
default none;
div(phi,U) Gauss linear;
}
laplacianSchemes
{
default none;
laplacian(nu,U) Gauss linear corrected;
laplacian(1|A(U),p) Gauss linear corrected;
}
interpolationSchemes
{
default linear;
interpolate(HbyA) linear;
default none;
}
snGradSchemes
{
default corrected;
default none;
}
fluxRequired
{
default no;
p ;
}

9
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/mdSolution → tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/fvSolution
View File

@ -11,13 +11,12 @@ FoamFile
format ascii;
class dictionary;
location "system";
object mdSolution;
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
integrationMethod verletLeapfrog;
potentialEnergyLimit 5.256e-20;
solvers
{
}
// ************************************************************************* //

19
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdEquilibrationDict Normal file
View File

@ -0,0 +1,19 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object mdEquilibrationDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
targetTemperature 298;
// ************************************************************************* //

53
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/mdInitialiseDict Normal file
View File

@ -0,0 +1,53 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Euler angles, expressed in degrees as phi, theta, psi, see
// http://mathworld.wolfram.com/EulerAngles.html
liquid
{
massDensity 980;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
(
water
water2
water
water2
);
tetherSiteIds ();
latticePositions
(
(0 0 0)
(0 0.5 0.5)
(0.5 0 0.5)
(0.5 0.5 0)
);
anchor (0 0 0);
orientationAngles (0 0 0);
latticeCellShape (1 1 1);
}
// ************************************************************************* //

118
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCubeWater/system/potentialDict Normal file
View File

@ -0,0 +1,118 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object potentials;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Subdictionaries specifying types of intermolecular potential.
// Sub-sub dictionaries specify the potentials themselves.
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Removal order
// This is the order in which to remove overlapping pairs if more than one
// type of molecule is present. The most valuable molecule type is at the
// right hand end, the molecule that will be removed 1st is 1st on the list.
// Not all types need to be present, a molecule that is not present is
// automatically less valuable than any on the list. For molecules of the
// same type there is no control over which is removed.
removalOrder ( water );
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Potential Energy Limit
// Maximum permissible pair energy allowed at startup. Used to remove
// overlapping molecules created during preprocessing.
potentialEnergyLimit 1e-18;
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Pair potentials
// If a pair are not present here it is assumed that they do not interact.
// Electrostatic pair interactions are not listed here - they are handled
// separately.
// If there are r different type of molecules, and a pair force is required
// between all combinations, then there are C = r(r+1)/2 combinations,
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
// Pair potentials are specified by the combinaition of their ids,
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
// (strictly OR, both or neither will throw an error)
pair
{
O-O
{
pairPotential lennardJones;
rCut 1.0e-9;
rMin 0.1e-9;
dr 1e-13;
lennardJonesCoeffs
{
sigma 3.154e-10;
epsilon 1.07690722e-21;
}
energyScalingFunction noScaling;
writeTables yes;
}
electrostatic
{
pairPotential dampedCoulomb;
rCut 1e-9;
rMin 2e-11;
dr 2e-12;
dampedCoulombCoeffs
{
alpha 2e9;
}
energyScalingFunction shiftedForce;
writeTables yes;
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Tethering Potentials
tether
{
O
{
tetherPotential restrainedHarmonicSpring;
restrainedHarmonicSpringCoeffs
{
springConstant 0.277;
rR 1.2e-9;
}
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// External Forces
// Bulk external forces (namely gravity) will be specified as forces rather
// than potentials to allow their direction to be controlled.
external
{
gravity (0 0 0);
}
// ************************************************************************* //

8
tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allclean → tutorials/discreteMethods/molecularDynamics/mdFoam/Allclean
View File

@ -3,14 +3,8 @@
# Source tutorial clean functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cd constrictedChannel
rm -rf 0
rm -rf Ar-Ar Ar-Ne Ne-Ne
rm -rf constant/idList
cleanCase
cd ..
cd nanoNozzle
rm -rf constant/polyMesh/sets
rm -rf processor[0-9]
cleanCase
cd ..

10
tutorials/discreteMethods/molecularDynamics/gnemdFoam/Allrun → tutorials/discreteMethods/molecularDynamics/mdFoam/Allrun
View File

@ -3,13 +3,7 @@
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/RunFunctions
application="gnemdFoam"
cd constrictedChannel
runApplication blockMesh
runApplication molConfig
runApplication $application
cd ..
application="mdFoam"
cd nanoNozzle
runApplication blockMesh
@ -17,7 +11,7 @@ cd nanoNozzle
runApplication decomposePar
hostname > system/machines
runParallel molConfig 4 system/machines
runParallel mdInitialise 4 system/machines
runParallel $application 4 system/machines
runApplication reconstructPar

45
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/moleculeProperties Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object moleculeProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
water
{
siteIds (H H O M);
pairPotentialSiteIds (O);
siteReferencePositions
(
(7.56950327263661e-11 5.85882276618295e-11 0)
(-7.56950327263661e-11 5.85882276618295e-11 0)
(0 0 0)
(0 1.5e-11 0)
);
siteMasses
(
1.67353255e-27
1.67353255e-27
2.6560176e-26
0
);
siteCharges
(
8.3313177324e-20
8.3313177324e-20
0
-1.66626354648e-19
);
}
// ************************************************************************* //

62
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/blockMeshDict → tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/blockMeshDict
View File

@ -14,9 +14,9 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 3e-9;
convertToMeters 3.2e-9;
vertices
vertices
(
(0 0 0)
(3.5 0 0)
@ -44,47 +44,19 @@ vertices
(16 2.5 3.5)
);
blocks
blocks
(
hex (0 1 2 3 4 5 6 7) sectionA (16 15 15) simpleGrading (1 1 1)
hex (1 8 9 2 5 10 11 6) sectionA (16 15 15) simpleGrading (0.4 1 1)
hex (8 12 13 9 10 14 15 11) sectionB (16 15 15) simpleGrading (1 1 1)
hex (12 16 17 13 14 18 19 15) sectionC (11 15 15) simpleGrading (2.8 1 1)
hex (16 20 21 17 18 22 23 19) sectionC (16 15 15) simpleGrading (1 1 1)
hex (0 1 2 3 4 5 6 7) sectionA (20 16 16) simpleGrading (1 1 1)
hex (1 8 9 2 5 10 11 6) sectionA (20 16 16) simpleGrading (1 1 1)
hex (8 12 13 9 10 14 15 11) sectionB (29 16 16) simpleGrading (1 1 1)
hex (12 16 17 13 14 18 19 15) sectionC (17 16 16) simpleGrading (1 1 1)
hex (16 20 21 17 18 22 23 19) sectionC (20 16 16) simpleGrading (1 1 1)
);
edges
(
simpleSpline 12 16
(
(10.375 0.875 0.4)
(10.75 0.75 0)
(11.125 0.625 -0.4)
)
simpleSpline 14 18
(
(10.375 0.875 2.6)
(10.75 0.75 3)
(11.125 0.625 3.4)
)
simpleSpline 15 19
(
(10.375 2.125 2.6)
(10.75 2.25 3)
(11.125 2.375 3.4)
)
simpleSpline 13 17
(
(10.375 2.125 0.4)
(10.75 2.25 0)
(11.125 2.375 -0.4)
)
);
edges
();
patches
patches
(
patch
sectionAEnd
@ -92,12 +64,12 @@ patches
(0 4 7 3)
)
patch
wall
sectionCEnd
(
(20 21 23 22)
)
wall
front
(
@ -107,7 +79,7 @@ patches
(12 16 18 14)
(16 20 22 18)
)
wall
back
(
@ -117,7 +89,7 @@ patches
(13 15 19 17)
(17 19 23 21)
)
wall
top
(
@ -127,7 +99,7 @@ patches
(14 18 19 15)
(18 22 23 19)
)
wall
bottom
(
@ -139,7 +111,7 @@ patches
)
);
mergePatchPairs
mergePatchPairs
(
);

30
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/constant/polyMesh/boundary → tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/constant/polyMesh/boundary
View File

@ -1,8 +1,8 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
@ -20,38 +20,38 @@ FoamFile
sectionAEnd
{
type patch;
nFaces 225;
startFace 48150;
nFaces 256;
startFace 77760;
}
sectionCEnd
{
type patch;
nFaces 225;
startFace 48375;
type wall;
nFaces 256;
startFace 78016;
}
front
{
type wall;
nFaces 1125;
startFace 48600;
nFaces 1696;
startFace 78272;
}
back
{
type wall;
nFaces 1125;
startFace 49725;
nFaces 1696;
startFace 79968;
}
top
{
type wall;
nFaces 1125;
startFace 50850;
nFaces 1696;
startFace 81664;
}
bottom
{
type wall;
nFaces 1125;
startFace 51975;
nFaces 1696;
startFace 83360;
}
)

47
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/controlDict Normal file
View File

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
startFrom startTime;
startTime 0;
stopAt endTime;
endTime 1e-10;
deltaT 1e-15;
writeControl runTime;
writeInterval 2e-13;
purgeWrite 0;
writeFormat ascii;
writePrecision 12;
writeCompression uncompressed;
timeFormat general;
timePrecision 6;
runTimeModifiable yes;
adjustTimeStep no;
// ************************************************************************* //

66
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/decomposeParDict Normal file
View File

@ -0,0 +1,66 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object decomposeParDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
method metis;
simpleCoeffs
{
n (2 2 1);
delta 0.001;
}
hierarchicalCoeffs
{
n (1 1 1);
delta 0.001;
order xyz;
}
metisCoeffs
{
processorWeights
(
1
1
1
1
);
}
manualCoeffs
{
dataFile "";
}
distributed no;
roots
(
);
// ************************************************************************* //

14
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSchemes → tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSchemes
View File

@ -17,43 +17,37 @@ FoamFile
ddtSchemes
{
default Euler;
default none;
}
gradSchemes
{
default Gauss linear;
grad(p) Gauss linear;
default none;
}
divSchemes
{
default none;
div(phi,U) Gauss linear;
}
laplacianSchemes
{
default none;
laplacian(nu,U) Gauss linear corrected;
laplacian(1|A(U),p) Gauss linear corrected;
}
interpolationSchemes
{
default linear;
interpolate(HbyA) linear;
default none;
}
snGradSchemes
{
default corrected;
default none;
}
fluxRequired
{
default no;
p ;
}

9
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/mdSolution → tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/fvSolution
View File

@ -11,13 +11,12 @@ FoamFile
format ascii;
class dictionary;
location "system";
object mdSolution;
object fvSolution;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
integrationMethod verletLeapfrog;
potentialEnergyLimit 5.256e-20;
solvers
{
}
// ************************************************************************* //

19
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdEquilibrationDict Normal file
View File

@ -0,0 +1,19 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object mdEquilibrationDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
targetTemperature 298;
// ************************************************************************* //

85
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/mdInitialiseDict Normal file
View File

@ -0,0 +1,85 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.3 |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object molConfigDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Euler angles, expressed in degrees as phi, theta, psi, see
// http://mathworld.wolfram.com/EulerAngles.html
sectionA
{
massDensity 980;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
(
water
);
tetherSiteIds ();
latticePositions
(
(0 0 0)
);
anchor (0 0 0);
orientationAngles (0 0 0);
latticeCellShape (1 1 1);
}
sectionB
{
massDensity 980;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
(
water
);
tetherSiteIds ();
latticePositions
(
(0 0 0)
);
anchor (0 0 0);
orientationAngles (0 0 0);
latticeCellShape (1 1 1);
}
sectionC
{
massDensity 980;
temperature 298;
bulkVelocity (0.0 0.0 0.0);
latticeIds
(
water
);
tetherSiteIds ();
latticePositions
(
(0 0 0)
);
anchor (0 0 0);
orientationAngles (0 0 0);
latticeCellShape (1 1 1);
}
// ************************************************************************* //

118
tutorials/discreteMethods/molecularDynamics/mdFoam/nanoNozzle/system/potentialDict Normal file
View File

@ -0,0 +1,118 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object potentials;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Subdictionaries specifying types of intermolecular potential.
// Sub-sub dictionaries specify the potentials themselves.
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Removal order
// This is the order in which to remove overlapping pairs if more than one
// type of molecule is present. The most valuable molecule type is at the
// right hand end, the molecule that will be removed 1st is 1st on the list.
// Not all types need to be present, a molecule that is not present is
// automatically less valuable than any on the list. For molecules of the
// same type there is no control over which is removed.
removalOrder ( water );
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Potential Energy Limit
// Maximum permissible pair energy allowed at startup. Used to remove
// overlapping molecules created during preprocessing.
potentialEnergyLimit 1e-18;
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Pair potentials
// If a pair are not present here it is assumed that they do not interact.
// Electrostatic pair interactions are not listed here - they are handled
// separately.
// If there are r different type of molecules, and a pair force is required
// between all combinations, then there are C = r(r+1)/2 combinations,
// i.e. for r = {1,2,3,4}, C = {1,3,6,10} (sum of triangular numbers).
// Pair potentials are specified by the combinaition of their ids,
// for MOLA and MOLB, "MOLA-MOLB" OR "MOLB-MOLA" is acceptable
// (strictly OR, both or neither will throw an error)
pair
{
O-O
{
pairPotential lennardJones;
rCut 1.0e-9;
rMin 0.1e-9;
dr 1e-13;
lennardJonesCoeffs
{
sigma 3.154e-10;
epsilon 1.07690722e-21;
}
energyScalingFunction noScaling;
writeTables yes;
}
electrostatic
{
pairPotential dampedCoulomb;
rCut 1e-9;
rMin 2e-11;
dr 2e-12;
dampedCoulombCoeffs
{
alpha 2e9;
}
energyScalingFunction shiftedForce;
writeTables yes;
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// Tethering Potentials
tether
{
O
{
tetherPotential restrainedHarmonicSpring;
restrainedHarmonicSpringCoeffs
{
springConstant 0.277;
rR 1.2e-9;
}
}
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
// External Forces
// Bulk external forces (namely gravity) will be specified as forces rather
// than potentials to allow their direction to be controlled.
external
{
gravity (0 0 0);
}
// ************************************************************************* //

443
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T Normal file
View File

@ -0,0 +1,443 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
floor
{
type fixedValue;
value nonuniform List<scalar>
400
(
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
300
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300
300
300
300
300
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300
300
300
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300
300
300
300
300
300
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300
300
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300
300
300
300
300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
600
600
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
600
600
300
300
300
300
300
300
300
300
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300
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300
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300
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300
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300
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300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
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300
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300
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300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
300
300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
)
;
}
ceiling
{
type fixedValue;
value uniform 300;
}
fixedWalls
{
type zeroGradient;
}
}
// ************************************************************************* //

443
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/T.org Normal file
View File

@ -0,0 +1,443 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
floor
{
type fixedValue;
value nonuniform List<scalar>
400
(
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
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300
300
300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
)
;
}
ceiling
{
type fixedValue;
value uniform 300;
}
fixedWalls
{
type zeroGradient;
}
}
// ************************************************************************* //

44
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/fvSolution → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/U
View File

@ -2,45 +2,41 @@
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSolution;
class volVectorField;
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
solvers
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
p
floor
{
solver PCG;
preconditioner DIC;
tolerance 1e-06;
relTol 0;
type fixedValue;
value uniform (0 0 0);
}
U
ceiling
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
type fixedValue;
value uniform (0 0 0);
}
fixedWalls
{
type fixedValue;
value uniform (0 0 0);
}
}
PISO
{
nCorrectors 2;
nNonOrthogonalCorrectors 0;
pRefCell 0;
pRefValue 0;
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/alphat Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object alphat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
floor
{
type alphatWallFunction;
value uniform 0;
}
ceiling
{
type alphatWallFunction;
value uniform 0;
}
fixedWalls
{
type alphatWallFunction;
value uniform 0;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -3 0 0 0 0];
internalField uniform 0.01;
boundaryField
{
floor
{
type epsilonWallFunction;
value uniform 0.01;
}
ceiling
{
type epsilonWallFunction;
value uniform 0.01;
}
fixedWalls
{
type epsilonWallFunction;
value uniform 0.01;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/epsilon.old Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -3 0 0 0 0];
internalField uniform 0.01;
boundaryField
{
floor
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
ceiling
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
fixedWalls
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.1;
boundaryField
{
floor
{
type kQRWallFunction;
value uniform 0.1;
}
ceiling
{
type kQRWallFunction;
value uniform 0.1;
}
fixedWalls
{
type kQRWallFunction;
value uniform 0.1;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/k.old Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.1;
boundaryField
{
floor
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
ceiling
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
fixedWalls
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
}
// ************************************************************************* //

52
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/decomposeParDict → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/nut
View File

@ -1,7 +1,7 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
@ -9,42 +9,34 @@ FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object decomposeParDict;
class volScalarField;
location "0";
object nut;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
numberOfSubdomains 4;
dimensions [0 2 -1 0 0 0 0];
method metis;
internalField uniform 0;
simpleCoeffs
boundaryField
{
n ( 4 1 1 );
delta 0.001;
floor
{
type nutWallFunction;
value uniform 0;
}
ceiling
{
type nutWallFunction;
value uniform 0;
}
fixedWalls
{
type nutWallFunction;
value uniform 0;
}
}
hierarchicalCoeffs
{
n ( 1 1 1 );
delta 0.001;
order xyz;
}
metisCoeffs
{
processorWeights ( 1 1 1 1 );
}
manualCoeffs
{
dataFile "";
}
distributed no;
roots ( );
// ************************************************************************* //

45
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/0/p Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0;
boundaryField
{
floor
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
ceiling
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
fixedWalls
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
}
// ************************************************************************* //

7
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allclean Executable file
View File

@ -0,0 +1,7 @@
#!/bin/sh
# Source tutorial clean functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cleanCase
cp 0/T.org 0/T

10
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/Allrun Executable file
View File

@ -0,0 +1,10 @@
#!/bin/sh
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/RunFunctions
application="buoyantBoussinesqPisoFoam"
compileApplication ../../buoyantPisoFoam/hotRoom/setHotRoom
runApplication blockMesh
runApplication setHotRoom
runApplication $application

100
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/RASProperties Normal file
View File

@ -0,0 +1,100 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object RASProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
RASModel kEpsilon;
turbulence on;
printCoeffs on;
laminarCoeffs
{
}
kEpsilonCoeffs
{
Cmu 0.09;
C1 1.44;
C2 1.92;
C3 0.85;
alphah 1;
alphak 1;
alphaEps 0.76923;
}
RNGkEpsilonCoeffs
{
Cmu 0.0845;
C1 1.42;
C2 1.68;
C3 -0.33;
alphah 1;
alphak 1.39;
alphaEps 1.39;
eta0 4.38;
beta 0.012;
}
LaunderSharmaKECoeffs
{
Cmu 0.09;
C1 1.44;
C2 1.92;
C3 -0.33;
alphah 1;
alphak 1;
alphaEps 0.76923;
}
LRRCoeffs
{
Cmu 0.09;
Clrr1 1.8;
Clrr2 0.6;
C1 1.44;
C2 1.92;
alphah 1;
Cs 0.25;
Ceps 0.15;
alphaR 1;
alphaEps 0.76923;
}
LaunderGibsonRSTMCoeffs
{
Cmu 0.09;
Clg1 1.8;
Clg2 0.6;
C1 1.44;
C2 1.92;
alphah 1;
C1Ref 0.5;
C2Ref 0.3;
Cs 0.25;
Ceps 0.15;
alphaR 1;
alphaEps 0.76923;
}
wallFunctionCoeffs
{
kappa 0.4187;
E 9;
}
// ************************************************************************* //

8
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/mdSolution → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/environmentalProperties
View File

@ -10,14 +10,12 @@ FoamFile
version 2.0;
format ascii;
class dictionary;
location "system";
object mdSolution;
location "constant";
object environmentalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
integrationMethod verletLeapfrog;
potentialEnergyLimit 5.256e-20;
g g [ 0 1 -2 0 0 0 0 ] ( 0 -9.81 0 );
// ************************************************************************* //

57
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/constant/polyMesh/blockMeshDict → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/blockMeshDict
View File

@ -14,48 +14,47 @@ FoamFile
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 2.462491658e-9;
convertToMeters 1;
vertices
vertices
(
(-1 -1 -1)
(1 -1 -1)
(1 1 -1)
(-1 1 -1)
(-1 -1 1)
(1 -1 1)
(1 1 1)
(-1 1 1)
(0 0 0)
(10 0 0)
(10 5 0)
(0 5 0)
(0 0 10)
(10 0 10)
(10 5 10)
(0 5 10)
);
blocks
blocks
(
hex (0 1 2 3 4 5 6 7) liquid (12 12 12) simpleGrading (1 1 1)
hex (0 1 2 3 4 5 6 7) (20 10 20) simpleGrading (1 1 1)
);
patches
edges
(
cyclic
periodicX
);
patches
(
wall floor
(
(1 5 4 0)
)
wall ceiling
(
(3 7 6 2)
)
wall fixedWalls
(
(1 2 6 5)
(0 4 7 3)
)
cyclic
periodicY
(
(2 3 7 6)
(0 1 5 4)
)
cyclic
periodicZ
(
(2 6 5 1)
(0 3 2 1)
(4 5 6 7)
)
)
);
mergePatchPairs
(

40
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/polyMesh/boundary Normal file
View File

@ -0,0 +1,40 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class polyBoundaryMesh;
location "constant/polyMesh";
object boundary;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
3
(
floor
{
type wall;
nFaces 400;
startFace 11200;
}
ceiling
{
type wall;
nFaces 400;
startFace 11600;
}
fixedWalls
{
type wall;
nFaces 800;
startFace 12000;
}
)
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/constant/transportProperties Normal file
View File

@ -0,0 +1,42 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5.x |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object transportProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
transportModel Newtonian;
// Laminar viscosity
nu nu [0 2 -1 0 0 0 0] 1e-05;
// Thermal expansion coefficient
beta beta [0 0 0 -1 0 0 0] 3e-03;
// Reference temperature
TRef TRef [0 0 0 1 0 0 0] 300;
// Laminar Prandtl number
Pr Pr [0 0 0 0 0 0 0] 0.9;
// Turbulent Prandtl number
Prt Prt [0 0 0 0 0 0 0] 0.7;
// ************************************************************************* //

11
tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/controlDict → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/controlDict
View File

@ -21,19 +21,19 @@ startTime 0;
stopAt endTime;
endTime 8e-11;
endTime 1000;
deltaT 1e-14;
deltaT 1;
writeControl runTime;
writeControl timeStep;
writeInterval 2e-12;
writeInterval 100;
purgeWrite 0;
writeFormat ascii;
writePrecision 12;
writePrecision 6;
writeCompression uncompressed;
@ -45,5 +45,6 @@ runTimeModifiable yes;
adjustTimeStep no;
maxCo 0.5;
// ************************************************************************* //

68
tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSchemes Normal file
View File

@ -0,0 +1,68 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default Euler;
}
gradSchemes
{
default Gauss linear;
}
divSchemes
{
default none;
div(phi,U) Gauss upwind;
div(phi,T) Gauss upwind;
div(phi,k) Gauss upwind;
div(phi,epsilon) Gauss upwind;
div(phi,R) Gauss upwind;
div(R) Gauss linear;
div((nuEff*dev(grad(U).T()))) Gauss linear;
}
laplacianSchemes
{
default none;
laplacian(nuEff,U) Gauss linear corrected;
laplacian((1|A(U)),p) Gauss linear corrected;
laplacian(kappaEff,T) Gauss linear corrected;
laplacian(DkEff,k) Gauss linear corrected;
laplacian(DepsilonEff,epsilon) Gauss linear corrected;
laplacian(DREff,R) Gauss linear corrected;
}
interpolationSchemes
{
default linear;
}
snGradSchemes
{
default corrected;
}
fluxRequired
{
default no;
p ;
}
// ************************************************************************* //

43
tutorials/discreteMethods/molecularDynamics/gnemdFoam/nanoNozzle/system/fvSolution → tutorials/heatTransfer/buoyantBoussinesqPisoFoam/hotRoom/system/fvSolution
View File

@ -21,7 +21,15 @@ solvers
{
solver PCG;
preconditioner DIC;
tolerance 1e-06;
tolerance 1e-07;
relTol 0.1;
}
pFinal
{
solver PCG;
preconditioner DIC;
tolerance 1e-07;
relTol 0;
}
@ -32,10 +40,43 @@ solvers
tolerance 1e-05;
relTol 0;
}
T
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
k
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
epsilon
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
R
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
}
PISO
{
momentumPredictor yes;
nCorrectors 2;
nNonOrthogonalCorrectors 0;
pRefCell 0;

443
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T Normal file
View File

@ -0,0 +1,443 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
floor
{
type fixedValue;
value nonuniform List<scalar>
400
(
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
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600
600
300
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300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
)
;
}
ceiling
{
type fixedValue;
value uniform 300;
}
fixedWalls
{
type zeroGradient;
}
}
// ************************************************************************* //

443
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/T.org Normal file
View File

@ -0,0 +1,443 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object T;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 0 0 1 0 0 0];
internalField uniform 300;
boundaryField
{
floor
{
type fixedValue;
value nonuniform List<scalar>
400
(
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
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300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
300
)
;
}
ceiling
{
type fixedValue;
value uniform 300;
}
fixedWalls
{
type zeroGradient;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/U Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volVectorField;
object U;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 1 -1 0 0 0 0];
internalField uniform (0 0 0);
boundaryField
{
floor
{
type fixedValue;
value uniform (0 0 0);
}
ceiling
{
type fixedValue;
value uniform (0 0 0);
}
fixedWalls
{
type fixedValue;
value uniform (0 0 0);
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/alphat Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object alphat;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [1 -1 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
floor
{
type alphatWallFunction;
value uniform 0;
}
ceiling
{
type alphatWallFunction;
value uniform 0;
}
fixedWalls
{
type alphatWallFunction;
value uniform 0;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -3 0 0 0 0];
internalField uniform 0.01;
boundaryField
{
floor
{
type epsilonWallFunction;
value uniform 0.01;
}
ceiling
{
type epsilonWallFunction;
value uniform 0.01;
}
fixedWalls
{
type epsilonWallFunction;
value uniform 0.01;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/epsilon.old Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object epsilon;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -3 0 0 0 0];
internalField uniform 0.01;
boundaryField
{
floor
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
ceiling
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
fixedWalls
{
type compressible::epsilonWallFunction;
value uniform 0.01;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.1;
boundaryField
{
floor
{
type kQRWallFunction;
value uniform 0.1;
}
ceiling
{
type kQRWallFunction;
value uniform 0.1;
}
fixedWalls
{
type kQRWallFunction;
value uniform 0.1;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/k.old Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object k;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0.1;
boundaryField
{
floor
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
ceiling
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
fixedWalls
{
type compressible::kQRWallFunction;
value uniform 0.1;
}
}
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/nut Normal file
View File

@ -0,0 +1,42 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
location "0";
object nut;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -1 0 0 0 0];
internalField uniform 0;
boundaryField
{
floor
{
type nutWallFunction;
value uniform 0;
}
ceiling
{
type nutWallFunction;
value uniform 0;
}
fixedWalls
{
type nutWallFunction;
value uniform 0;
}
}
// ************************************************************************* //

45
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/0/p Normal file
View File

@ -0,0 +1,45 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class volScalarField;
object p;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
dimensions [0 2 -2 0 0 0 0];
internalField uniform 0;
boundaryField
{
floor
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
ceiling
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
fixedWalls
{
type fixedFluxBuoyantPressure;
rho rhok;
value uniform 0;
}
}
// ************************************************************************* //

7
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allclean Executable file
View File

@ -0,0 +1,7 @@
#!/bin/sh
# Source tutorial clean functions
. $WM_PROJECT_DIR/bin/tools/CleanFunctions
cleanCase
cp 0/T.org 0/T

10
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/Allrun Executable file
View File

@ -0,0 +1,10 @@
#!/bin/sh
# Source tutorial run functions
. $WM_PROJECT_DIR/bin/tools/RunFunctions
application="buoyantBoussinesqSimpleFoam"
compileApplication ../../buoyantPisoFoam/hotRoom/setHotRoom
runApplication blockMesh
runApplication setHotRoom
runApplication $application

100
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/RASProperties Normal file
View File

@ -0,0 +1,100 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object RASProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
RASModel kEpsilon;
turbulence on;
printCoeffs on;
laminarCoeffs
{
}
kEpsilonCoeffs
{
Cmu 0.09;
C1 1.44;
C2 1.92;
C3 0.85;
alphah 1;
alphak 1;
alphaEps 0.76923;
}
RNGkEpsilonCoeffs
{
Cmu 0.0845;
C1 1.42;
C2 1.68;
C3 -0.33;
alphah 1;
alphak 1.39;
alphaEps 1.39;
eta0 4.38;
beta 0.012;
}
LaunderSharmaKECoeffs
{
Cmu 0.09;
C1 1.44;
C2 1.92;
C3 -0.33;
alphah 1;
alphak 1;
alphaEps 0.76923;
}
LRRCoeffs
{
Cmu 0.09;
Clrr1 1.8;
Clrr2 0.6;
C1 1.44;
C2 1.92;
alphah 1;
Cs 0.25;
Ceps 0.15;
alphaR 1;
alphaEps 0.76923;
}
LaunderGibsonRSTMCoeffs
{
Cmu 0.09;
Clg1 1.8;
Clg2 0.6;
C1 1.44;
C2 1.92;
alphah 1;
C1Ref 0.5;
C2Ref 0.3;
Cs 0.25;
Ceps 0.15;
alphaR 1;
alphaEps 0.76923;
}
wallFunctionCoeffs
{
kappa 0.4187;
E 9;
}
// ************************************************************************* //

21
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/environmentalProperties Normal file
View File

@ -0,0 +1,21 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "constant";
object environmentalProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
g g [ 0 1 -2 0 0 0 0 ] ( 0 -9.81 0 );
// ************************************************************************* //

63
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/blockMeshDict Normal file
View File

@ -0,0 +1,63 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: http://www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
object blockMeshDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
convertToMeters 1;
vertices
(
(0 0 0)
(10 0 0)
(10 5 0)
(0 5 0)
(0 0 10)
(10 0 10)
(10 5 10)
(0 5 10)
);
blocks
(
hex (0 1 2 3 4 5 6 7) (20 10 20) simpleGrading (1 1 1)
);
edges
(
);
patches
(
wall floor
(
(1 5 4 0)
)
wall ceiling
(
(3 7 6 2)
)
wall fixedWalls
(
(0 4 7 3)
(2 6 5 1)
(0 3 2 1)
(4 5 6 7)
)
);
mergePatchPairs
(
);
// ************************************************************************* //

40
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/polyMesh/boundary Normal file
View File

@ -0,0 +1,40 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: dev |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class polyBoundaryMesh;
location "constant/polyMesh";
object boundary;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
3
(
floor
{
type wall;
nFaces 400;
startFace 11200;
}
ceiling
{
type wall;
nFaces 400;
startFace 11600;
}
fixedWalls
{
type wall;
nFaces 800;
startFace 12000;
}
)
// ************************************************************************* //

42
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/constant/transportProperties Normal file
View File

@ -0,0 +1,42 @@
/*---------------------------------------------------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5.x |
| \\ / A nd | Web: http://www.openfoam.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
root "";
case "";
instance "";
local "";
class dictionary;
object transportProperties;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
transportModel Newtonian;
// Laminar viscosity
nu nu [0 2 -1 0 0 0 0] 1e-05;
// Thermal expansion coefficient
beta beta [0 0 0 -1 0 0 0] 3e-03;
// Reference temperature
TRef TRef [0 0 0 1 0 0 0] 300;
// Laminar Prandtl number
Pr Pr [0 0 0 0 0 0 0] 0.9;
// Turbulent Prandtl number
Prt Prt [0 0 0 0 0 0 0] 0.7;
// ************************************************************************* //

47
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/controlDict Normal file
View File

@ -0,0 +1,47 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object controlDict;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
startFrom latestTime;
startTime 0;
stopAt endTime;
endTime 1000;
deltaT 1;
writeControl timeStep;
writeInterval 100;
purgeWrite 0;
writeFormat ascii;
writePrecision 6;
writeCompression uncompressed;
timeFormat general;
timePrecision 6;
runTimeModifiable yes;
// ************************************************************************* //

68
tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSchemes Normal file
View File

@ -0,0 +1,68 @@
/*--------------------------------*- C++ -*----------------------------------*\
| ========= | |
| \\ / F ield | OpenFOAM: The Open Source CFD Toolbox |
| \\ / O peration | Version: 1.5 |
| \\ / A nd | Web: www.OpenFOAM.org |
| \\/ M anipulation | |
\*---------------------------------------------------------------------------*/
FoamFile
{
version 2.0;
format ascii;
class dictionary;
location "system";
object fvSchemes;
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
ddtSchemes
{
default steadyState;
}
gradSchemes
{
default Gauss linear;
}
divSchemes
{
default none;
div(phi,U) Gauss upwind;
div(phi,T) Gauss upwind;
div(phi,k) Gauss upwind;
div(phi,epsilon) Gauss upwind;
div(phi,R) Gauss upwind;
div(R) Gauss linear;
div((nuEff*dev(grad(U).T()))) Gauss linear;
}
laplacianSchemes
{
default none;
laplacian(nuEff,U) Gauss linear corrected;
laplacian((1|A(U)),p) Gauss linear corrected;
laplacian(kappaEff,T) Gauss linear corrected;
laplacian(DkEff,k) Gauss linear corrected;
laplacian(DepsilonEff,epsilon) Gauss linear corrected;
laplacian(DREff,R) Gauss linear corrected;
}
interpolationSchemes
{
default linear;
}
snGradSchemes
{
default corrected;
}
fluxRequired
{
default no;
p ;
}
// ************************************************************************* //

48
tutorials/discreteMethods/molecularDynamics/mdEquilibrationFoam/periodicCube/system/fvSolution → tutorials/heatTransfer/buoyantBoussinesqSimpleFoam/hotRoom/system/fvSolution
View File

@ -21,7 +21,7 @@ solvers
{
solver PCG;
preconditioner DIC;
tolerance 1e-06;
tolerance 1e-08;
relTol 0;
}
@ -32,15 +32,57 @@ solvers
tolerance 1e-05;
relTol 0;
}
T
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
k
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
epsilon
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
R
{
solver PBiCG;
preconditioner DILU;
tolerance 1e-05;
relTol 0;
}
}
PISO
SIMPLE
{
nCorrectors 2;
nNonOrthogonalCorrectors 0;
pRefCell 0;
pRefValue 0;
}
relaxationFactors
{
rho 1;
p 0.7;
U 0.2;
T 0.7;
k 0.7;
epsilon 0.7;
R 0.7;
}
// ************************************************************************* //

4
tutorials/heatTransfer/buoyantPisoFoam/hotRoom/system/controlDict
View File

@ -21,9 +21,9 @@ startTime 0;
stopAt endTime;
endTime 400;
endTime 1000;
deltaT 0.25;
deltaT 1;
writeControl timeStep;

1
tutorials/multiphase/compressibleInterFoam/les/depthCharge3D/system/machines
View File

@ -1 +0,0 @@
noisy