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Merge branch 'dsmc' into particleInteractions

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This commit is contained in:
graham
2009-08-20 20:09:43 +01:00
parent 50ced1f33d 8e88577012
commit 5fb21c8139
20 changed files with 982 additions and 617 deletions
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162
applications/solvers/discreteMethods/dsmc/dsmcFoam/createFields.H
View File

@ -1,162 +0,0 @@
Info<< nl << "Reading field boundaryT" << endl;
volScalarField boundaryT
(
IOobject
(
"boundaryT",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field boundaryU" << endl;
volVectorField boundaryU
(
IOobject
(
"boundaryU",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field rhoN (number density)" << endl;
volScalarField rhoN
(
IOobject
(
"rhoN",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field rhoM (mass density)" << endl;
volScalarField rhoM
(
IOobject
(
"rhoM",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field rhoNdsmc (dsmc particle density)" << endl;
volScalarField dsmcRhoN
(
IOobject
(
"dsmcRhoN",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field momentum (momentum density)" << endl;
volVectorField momentum
(
IOobject
(
"momentum",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field linearKE (linear kinetic energy density)"
<< endl;
volScalarField linearKE
(
IOobject
(
"linearKE",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field internalE (internal energy density)" << endl;
volScalarField internalE
(
IOobject
(
"internalE",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field iDof (internal degree of freedom density)"
<< endl;
volScalarField iDof
(
IOobject
(
"iDof",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field q (surface heat transfer)" << endl;
volScalarField q
(
IOobject
(
"q",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Reading field fD (surface force density)" << endl;
volVectorField fD
(
IOobject
(
"fD",
runTime.timeName(),
mesh,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh
);
Info<< nl << "Constructing dsmcCloud " << endl;
dsmcCloud dsmc("dsmc", boundaryT, boundaryU);

42
applications/solvers/discreteMethods/dsmc/dsmcFoam/dsmcFoam.C
View File

@ -41,53 +41,21 @@ int main(int argc, char *argv[])
#include "setRootCase.H"
#include "createTime.H"
#include "createMesh.H"
#include "createFields.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
Info<< nl << "Constructing dsmcCloud " << endl;
dsmcCloud dsmc("dsmc", mesh);
Info<< "\nStarting time loop\n" << endl;
while (runTime.run())
while (runTime.loop())
{
runTime++;
Info<< "Time = " << runTime.timeName() << nl << endl;
// Carry out dsmcCloud timestep
dsmc.evolve();
// Retrieve flow field data from dsmcCloud
rhoN = dsmc.rhoN();
rhoN.correctBoundaryConditions();
rhoM = dsmc.rhoM();
rhoM.correctBoundaryConditions();
dsmcRhoN = dsmc.dsmcRhoN();
dsmcRhoN.correctBoundaryConditions();
momentum = dsmc.momentum();
momentum.correctBoundaryConditions();
linearKE = dsmc.linearKE();
linearKE.correctBoundaryConditions();
internalE = dsmc.internalE();
internalE.correctBoundaryConditions();
iDof = dsmc.iDof();
iDof.correctBoundaryConditions();
// Retrieve surface field data from dsmcCloud
q = dsmc.q();
fD = dsmc.fD();
// Print status of dsmcCloud
dsmc.info();
runTime.write();

11
applications/utilities/postProcessing/miscellaneous/dsmcFieldsCalc/dsmcFieldsCalc.C
View File

@ -113,7 +113,16 @@ void Foam::calc(const argList& args, const Time& runTime, const fvMesh& mesh)
return;
}
wordList extensiveVVFNames(IStringStream ("(momentumMean)")());
wordList extensiveVVFNames
(
IStringStream
(
"( \
momentumMean \
fDMean \
)"
)()
);
PtrList<volVectorField> extensiveVVFs(extensiveVVFNames.size());

14
applications/utilities/preProcessing/dsmcInitialise/dsmcInitialise.C
View File

@ -44,9 +44,21 @@ int main(int argc, char *argv[])
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
IOdictionary dsmcInitialiseDict
(
IOobject
(
"dsmcInitialiseDict",
mesh.time().system(),
mesh,
IOobject::MUST_READ,
IOobject::NO_WRITE
)
);
Info<< "Initialising dsmc for Time = " << runTime.timeName() << nl << endl;
dsmcCloud dsmc("dsmc", mesh);
dsmcCloud dsmc("dsmc", mesh, dsmcInitialiseDict);
label totalMolecules = dsmc.size();

1
etc/controlDict
View File

@ -377,6 +377,7 @@ DebugSwitches
displacementLaplacian 0;
displacementSBRStress 0;
distanceSurface 0;
distribution 0;
downwind 0;
dragModel 0;
duplicatePoints 0;

359
src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloud.C
View File

@ -475,21 +475,92 @@ void Foam::DsmcCloud<ParcelType>::collisions()
template<class ParcelType>
void Foam::DsmcCloud<ParcelType>::resetSurfaceDataFields()
void Foam::DsmcCloud<ParcelType>::resetFields()
{
volScalarField::GeometricBoundaryField& qBF(q_.boundaryField());
q_ = dimensionedScalar("zero", dimensionSet(1, 0, -3, 0, 0), 0.0);
forAll(qBF, p)
fD_ = dimensionedVector
(
"zero",
dimensionSet(1, -1, -2, 0, 0),
vector::zero
);
rhoN_ = dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL);
rhoM_ = dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0), VSMALL);
dsmcRhoN_ = dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), 0.0);
linearKE_ = dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0);
internalE_ = dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0);
iDof_ = dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL);
momentum_ = dimensionedVector
(
"zero",
dimensionSet(1, -2, -1, 0, 0),
vector::zero
);
}
template<class ParcelType>
void Foam::DsmcCloud<ParcelType>::calculateFields()
{
scalarField& rhoN = rhoN_.internalField();
scalarField& rhoM = rhoM_.internalField();
scalarField& dsmcRhoN = dsmcRhoN_.internalField();
scalarField& linearKE = linearKE_.internalField();
scalarField& internalE = internalE_.internalField();
scalarField& iDof = iDof_.internalField();
vectorField& momentum = momentum_.internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
qBF[p] = 0.0;
const ParcelType& p = iter();
const label cellI = p.cell();
rhoN[cellI]++;
rhoM[cellI] += constProps(p.typeId()).mass();
dsmcRhoN[cellI]++;
linearKE[cellI] += 0.5*constProps(p.typeId()).mass()*(p.U() & p.U());
internalE[cellI] += p.Ei();
iDof[cellI] += constProps(p.typeId()).internalDegreesOfFreedom();
momentum[cellI] += constProps(p.typeId()).mass()*p.U();
}
volVectorField::GeometricBoundaryField& fDBF(fD_.boundaryField());
rhoN *= nParticle_/mesh().cellVolumes();
rhoN_.correctBoundaryConditions();
forAll(fDBF, p)
{
fDBF[p] = vector::zero;
}
rhoM *= nParticle_/mesh().cellVolumes();
rhoM_.correctBoundaryConditions();
linearKE *= nParticle_/mesh().cellVolumes();
linearKE_.correctBoundaryConditions();
internalE *= nParticle_/mesh().cellVolumes();
internalE_.correctBoundaryConditions();
iDof *= nParticle_/mesh().cellVolumes();
iDof_.correctBoundaryConditions();
momentum *= nParticle_/mesh().cellVolumes();
momentum_.correctBoundaryConditions();
}
@ -525,14 +596,13 @@ template<class ParcelType>
Foam::DsmcCloud<ParcelType>::DsmcCloud
(
const word& cloudName,
const volScalarField& T,
const volVectorField& U
const fvMesh& mesh
)
:
Cloud<ParcelType>(T.mesh(), cloudName, false),
Cloud<ParcelType>(mesh, cloudName, false),
DsmcBaseCloud(),
cloudName_(cloudName),
mesh_(T.mesh()),
mesh_(mesh),
particleProperties_
(
IOobject
@ -564,37 +634,142 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
(
IOobject
(
this->name() + "q_",
"q",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, 0, -3, 0, 0), 0.0)
mesh_
),
fD_
(
IOobject
(
this->name() + "fD_",
"fD",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_,
dimensionedVector
mesh_
),
rhoN_
(
IOobject
(
"zero",
dimensionSet(1, -1, -2, 0, 0),
vector::zero
)
"rhoN",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
rhoM_
(
IOobject
(
"rhoM",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
dsmcRhoN_
(
IOobject
(
"dsmcRhoN",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
linearKE_
(
IOobject
(
"linearKE",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
internalE_
(
IOobject
(
"internalE",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
iDof_
(
IOobject
(
"iDof",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
momentum_
(
IOobject
(
"momentum",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
),
constProps_(),
rndGen_(label(149382906) + 7183*Pstream::myProcNo()),
T_(T),
U_(U),
boundaryT_
(
volScalarField
(
IOobject
(
"boundaryT",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
)
),
boundaryU_
(
volVectorField
(
IOobject
(
"boundaryU",
mesh_.time().timeName(),
mesh_,
IOobject::MUST_READ,
IOobject::AUTO_WRITE
),
mesh_
)
),
binaryCollisionModel_
(
BinaryCollisionModel<DsmcCloud<ParcelType> >::New
@ -637,7 +812,8 @@ template<class ParcelType>
Foam::DsmcCloud<ParcelType>::DsmcCloud
(
const word& cloudName,
const fvMesh& mesh
const fvMesh& mesh,
const IOdictionary& dsmcInitialiseDict
)
:
Cloud<ParcelType>(mesh, cloudName, false),
@ -703,15 +879,111 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
vector::zero
)
),
rhoN_
(
IOobject
(
this->name() + "rhoN_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL)
),
rhoM_
(
IOobject
(
this->name() + "rhoM_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0), VSMALL)
),
dsmcRhoN_
(
IOobject
(
this->name() + "dsmcRhoN_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), 0.0)
),
linearKE_
(
IOobject
(
this->name() + "linearKE_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0)
),
internalE_
(
IOobject
(
this->name() + "internalE_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0)
),
iDof_
(
IOobject
(
this->name() + "iDof_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL)
),
momentum_
(
IOobject
(
this->name() + "momentum_",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
IOobject::NO_WRITE
),
mesh_,
dimensionedVector
(
"zero",
dimensionSet(1, -2, -1, 0, 0),
vector::zero
)
),
constProps_(),
rndGen_(label(971501) + 1526*Pstream::myProcNo()),
T_
boundaryT_
(
volScalarField
(
IOobject
(
"T",
"boundaryT",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
@ -721,13 +993,13 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
dimensionedScalar("zero", dimensionSet(0, 0, 0, 1, 0), 0.0)
)
),
U_
boundaryU_
(
volVectorField
(
IOobject
(
"U",
"boundaryU",
mesh_.time().timeName(),
mesh_,
IOobject::NO_READ,
@ -750,18 +1022,6 @@ Foam::DsmcCloud<ParcelType>::DsmcCloud
buildConstProps();
IOdictionary dsmcInitialiseDict
(
IOobject
(
"dsmcInitialiseDict",
mesh_.time().system(),
mesh_,
IOobject::MUST_READ,
IOobject::NO_WRITE
)
);
initialise(dsmcInitialiseDict);
}
@ -783,8 +1043,8 @@ void Foam::DsmcCloud<ParcelType>::evolve()
typename ParcelType::trackData td(*this);
// Reset the surface data collection fields
resetSurfaceDataFields();
// Reset the data collection fields
resetFields();
if (debug)
{
@ -799,6 +1059,9 @@ void Foam::DsmcCloud<ParcelType>::evolve()
// Calculate new velocities via stochastic collisions
collisions();
// Calculate the volume field data
calculateFields();
}

146
src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloud.H
View File

@ -110,6 +110,27 @@ class DsmcCloud
//- Force density at surface field
volVectorField fD_;
//- number density field
volScalarField rhoN_;
//- Mass density field
volScalarField rhoM_;
//- dsmc particle density field
volScalarField dsmcRhoN_;
//- linear kinetic energy density field
volScalarField linearKE_;
//- Internal energy density field
volScalarField internalE_;
// Internal degree of freedom density field
volScalarField iDof_;
//- Momentum density field
volVectorField momentum_;
//- Parcel constant properties - one for each type
List<typename ParcelType::constantProperties> constProps_;
@ -121,13 +142,13 @@ class DsmcCloud
scalar cachedDeltaT_;
// References to the macroscopic fields
// boundary value fields
//- Temperature
const volScalarField& T_;
//- boundary temperature
volScalarField boundaryT_;
//- Velocity
const volVectorField& U_;
//- boundary velocity
volVectorField boundaryU_;
// References to the cloud sub-models
@ -159,8 +180,11 @@ class DsmcCloud
//- Calculate collisions between molecules
void collisions();
//- Reset the surface data accumulation field values
void resetSurfaceDataFields();
//- Reset the data accumulation field values to zero
void resetFields();
//- Calculate the volume field data
void calculateFields();
//- Disallow default bitwise copy construct
DsmcCloud(const DsmcCloud&);
@ -179,21 +203,22 @@ public:
// Constructors
//- Construct given name and mesh, will read Parcels from file
DsmcCloud
(
const word& cloudName,
const volScalarField& T,
const volVectorField& U
);
//- Construct given name and mesh. Used to initialise.
//- Construct given name and mesh, will read Parcels and fields from
// file
DsmcCloud
(
const word& cloudName,
const fvMesh& mesh
);
//- Construct given name, mesh and initialisation dictionary.
DsmcCloud
(
const word& cloudName,
const fvMesh& mesh,
const IOdictionary& dsmcInitialiseDict
);
//- Destructor
virtual ~DsmcCloud();
@ -254,28 +279,71 @@ public:
inline scalar cachedDeltaT() const;
// References to the surface data collection fields
// References to the boundary fields for surface data collection
//- Return heat flux at surface field
inline const volScalarField& q() const;
//- Return non-const heat flux boundary field reference
inline volScalarField::GeometricBoundaryField& qBF();
//- Return non-const heat flux at surface field
inline volScalarField& q();
//- Return non-const force density at boundary field reference
inline volVectorField::GeometricBoundaryField& fDBF();
//- Return force density at surface field
inline const volVectorField& fD() const;
//- Return non-const number density boundary field reference
inline volScalarField::GeometricBoundaryField& rhoNBF();
//- Return non-const force density at surface field
inline volVectorField& fD();
//- Return non-const mass density boundary field reference
inline volScalarField::GeometricBoundaryField& rhoMBF();
//- Return non-const linear kinetic energy density boundary
// field reference
inline volScalarField::GeometricBoundaryField& linearKEBF();
//- Return non-const internal energy density boundary field
// reference
inline volScalarField::GeometricBoundaryField& internalEBF();
//- Return non-const internal degree of freedom density boundary
// field reference
inline volScalarField::GeometricBoundaryField& iDofBF();
//- Return non-const momentum density boundary field reference
inline volVectorField::GeometricBoundaryField& momentumBF();
// References to the macroscopic fields
//- Return macroscopic temperature
inline const volScalarField& T() const;
inline const volScalarField& boundaryT() const;
//- Return macroscopic velocity
inline const volVectorField& U() const;
inline const volVectorField& boundaryU() const;
//- Return heat flux at surface field
inline const volScalarField& q() const;
//- Return force density at surface field
inline const volVectorField& fD() const;
//- Return the real particle number density field
inline const volScalarField& rhoN() const;
//- Return the particle mass density field
inline const volScalarField& rhoM() const;
//- Return the field of number of DSMC particles
inline const volScalarField& dsmcRhoN() const;
//- Return the total linear kinetic energy (translational and
// thermal density field
inline const volScalarField& linearKE() const;
//- Return the internal energy density field
inline const volScalarField& internalE() const;
//- Return the average internal degrees of freedom field
inline const volScalarField& iDof() const;
//- Return the momentum density field
inline const volVectorField& momentum() const;
// Kinetic theory helper functions
@ -389,29 +457,6 @@ public:
void dumpParticlePositions() const;
// Fields
//- Return the real particle number density field
inline const tmp<volScalarField> rhoN() const;
//- Return the particle mass density field
inline const tmp<volScalarField> rhoM() const;
//- Return the field of number of DSMC particles
inline const tmp<volScalarField> dsmcRhoN() const;
//- Return the momentum density field
inline const tmp<volVectorField> momentum() const;
//- Return the total linear kinetic energy (translational and
// thermal density field
inline const tmp<volScalarField> linearKE() const;
//- Return the internal energy density field
inline const tmp<volScalarField> internalE() const;
//- Return the average internal degrees of freedom field
inline const tmp<volScalarField> iDof() const;
// Cloud evolution functions
@ -429,7 +474,6 @@ public:
//- Evolve the cloud (move, collide)
void evolve();
//- Clear the Cloud
inline void clear();

319
src/lagrangian/dsmc/clouds/Templates/DsmcCloud/DsmcCloudI.H
View File

@ -135,44 +135,82 @@ inline Foam::scalar Foam::DsmcCloud<ParcelType>::cachedDeltaT() const
template<class ParcelType>
inline const Foam::volScalarField& Foam::DsmcCloud<ParcelType>::q() const
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::qBF()
{
return q_;
return q_.boundaryField();
}
template<class ParcelType>
inline Foam::volScalarField& Foam::DsmcCloud<ParcelType>::q()
inline Foam::volVectorField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::fDBF()
{
return q_;
return fD_.boundaryField();
}
template<class ParcelType>
inline const Foam::volVectorField& Foam::DsmcCloud<ParcelType>::fD() const
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::rhoNBF()
{
return fD_;
return rhoN_.boundaryField();
}
template<class ParcelType>
inline Foam::volVectorField& Foam::DsmcCloud<ParcelType>::fD()
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::rhoMBF()
{
return fD_;
return rhoM_.boundaryField();
}
template<class ParcelType>
inline const Foam::volScalarField& Foam::DsmcCloud<ParcelType>::T() const
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::linearKEBF()
{
return T_;
return linearKE_.boundaryField();
}
template<class ParcelType>
inline const Foam::volVectorField& Foam::DsmcCloud<ParcelType>::U() const
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::internalEBF()
{
return U_;
return internalE_.boundaryField();
}
template<class ParcelType>
inline Foam::volScalarField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::iDofBF()
{
return iDof_.boundaryField();
}
template<class ParcelType>
inline Foam::volVectorField::GeometricBoundaryField&
Foam::DsmcCloud<ParcelType>::momentumBF()
{
return momentum_.boundaryField();
}
template<class ParcelType>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::boundaryT() const
{
return boundaryT_;
}
template<class ParcelType>
inline const Foam::volVectorField&
Foam::DsmcCloud<ParcelType>::boundaryU() const
{
return boundaryU_;
}
@ -374,265 +412,70 @@ Foam::DsmcCloud<ParcelType>::maxwellianMostProbableSpeed
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
inline const Foam::volScalarField& Foam::DsmcCloud<ParcelType>::q() const
{
return q_;
}
template<class ParcelType>
inline const Foam::volVectorField& Foam::DsmcCloud<ParcelType>::fD() const
{
return fD_;
}
template<class ParcelType>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::rhoN() const
{
tmp<volScalarField> trhoN
(
new volScalarField
(
IOobject
(
this->name() + "rhoN",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL)
)
);
scalarField& rhoN = trhoN().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
rhoN[cellI]++;
}
rhoN *= nParticle_/mesh().cellVolumes();
return trhoN;
return rhoN_;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
Foam::DsmcCloud<ParcelType>::rhoM() const
inline const Foam::volScalarField& Foam::DsmcCloud<ParcelType>::rhoM() const
{
tmp<volScalarField> trhoM
(
new volScalarField
(
IOobject
(
this->name() + "rhoM",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -3, 0, 0, 0), VSMALL)
)
);
scalarField& rhoM = trhoM().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
rhoM[cellI] += constProps(p.typeId()).mass();
}
rhoM *= nParticle_/mesh().cellVolumes();
return trhoM;
return rhoM_;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::dsmcRhoN() const
{
tmp<volScalarField> tdsmcRhoN
(
new volScalarField
(
IOobject
(
this->name() + "dsmcRhoN",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), 0.0)
)
);
scalarField& dsmcRhoN = tdsmcRhoN().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
dsmcRhoN[cellI]++;
}
return tdsmcRhoN;
return dsmcRhoN_;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volVectorField>
Foam::DsmcCloud<ParcelType>::momentum() const
{
tmp<volVectorField> tmomentum
(
new volVectorField
(
IOobject
(
this->name() + "momentum",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedVector
(
"zero",
dimensionSet(1, -2, -1, 0, 0),
vector::zero
)
)
);
vectorField& momentum = tmomentum().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
momentum[cellI] += constProps(p.typeId()).mass()*p.U();
}
momentum *= nParticle_/mesh().cellVolumes();
return tmomentum;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::linearKE() const
{
tmp<volScalarField> tlinearKE
(
new volScalarField
(
IOobject
(
this->name() + "linearKE",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0)
)
);
scalarField& linearKE = tlinearKE().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
linearKE[cellI] += 0.5*constProps(p.typeId()).mass()*(p.U() & p.U());
}
linearKE *= nParticle_/mesh().cellVolumes();
return tlinearKE;
return linearKE_;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::internalE() const
{
tmp<volScalarField> tinternalE
(
new volScalarField
(
IOobject
(
this->name() + "internalE",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(1, -1, -2, 0, 0), 0.0)
)
);
scalarField& internalE = tinternalE().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
internalE[cellI] += p.Ei();
}
internalE *= nParticle_/mesh().cellVolumes();
return tinternalE;
return internalE_;
}
template<class ParcelType>
inline const Foam::tmp<Foam::volScalarField>
inline const Foam::volScalarField&
Foam::DsmcCloud<ParcelType>::iDof() const
{
tmp<volScalarField> tiDof
(
new volScalarField
(
IOobject
(
this->name() + "iDof",
this->db().time().timeName(),
this->db(),
IOobject::NO_READ,
IOobject::NO_WRITE,
false
),
mesh_,
dimensionedScalar("zero", dimensionSet(0, -3, 0, 0, 0), VSMALL)
)
);
return iDof_;
}
scalarField& iDof = tiDof().internalField();
forAllConstIter(typename DsmcCloud<ParcelType>, *this, iter)
{
const ParcelType& p = iter();
const label cellI = p.cell();
iDof[cellI] += constProps(p.typeId()).internalDegreesOfFreedom();
}
iDof *= nParticle_/mesh().cellVolumes();
return tiDof;
template<class ParcelType>
inline const Foam::volVectorField& Foam::DsmcCloud<ParcelType>::momentum() const
{
return momentum_;
}

10
src/lagrangian/dsmc/clouds/derived/dsmcCloud/dsmcCloud.C
View File

@ -39,11 +39,10 @@ namespace Foam
Foam::dsmcCloud::dsmcCloud
(
const word& cloudName,
const volScalarField& T,
const volVectorField& U
const fvMesh& mesh
)
:
DsmcCloud<dsmcParcel>(cloudName, T, U)
DsmcCloud<dsmcParcel>(cloudName, mesh)
{
dsmcParcel::readFields(*this);
}
@ -52,10 +51,11 @@ Foam::dsmcCloud::dsmcCloud
Foam::dsmcCloud::dsmcCloud
(
const word& cloudName,
const fvMesh& mesh
const fvMesh& mesh,
const IOdictionary& dsmcInitialiseDict
)
:
DsmcCloud<dsmcParcel>(cloudName, mesh)
DsmcCloud<dsmcParcel>(cloudName, mesh, dsmcInitialiseDict)
{}

19
src/lagrangian/dsmc/clouds/derived/dsmcCloud/dsmcCloud.H
View File

@ -69,21 +69,22 @@ public:
// Constructors
//- Construct from components
dsmcCloud
(
const word& cloudName,
const volScalarField& T,
const volVectorField& U
);
//- Construct from name and mesh, used to initialise.
//- Construct given name and mesh, will read Parcels and fields from
// file
dsmcCloud
(
const word& cloudName,
const fvMesh& mesh
);
//- Construct given name, mesh and initialisation dictionary.
dsmcCloud
(
const word& cloudName,
const fvMesh& mesh,
const IOdictionary& dsmcInitialiseDict
);
//- Destructor
~dsmcCloud();

64
src/lagrangian/dsmc/parcels/Templates/DsmcParcel/DsmcParcel.C
View File

@ -114,10 +114,41 @@ void Foam::DsmcParcel<ParcelType>::hitWallPatch
TrackData& td
)
{
label wppIndex = wpp.index();
label wppLocalFace = wpp.whichFace(this->face());
const scalar fA = mag(wpp.faceAreas()[wppLocalFace]);
const scalar deltaT = td.cloud().cachedDeltaT();
const constantProperties& constProps(td.cloud().constProps(typeId_));
scalar m = constProps.mass();
vector nw = wpp.faceAreas()[wppLocalFace];
nw /= mag(nw);
scalar U_dot_nw = U_ & nw;
vector Ut = U_ - U_dot_nw*nw;
scalar invMagUnfA = 1/max(mag(U_dot_nw)*fA, VSMALL);
td.cloud().rhoNBF()[wppIndex][wppLocalFace] += invMagUnfA;
td.cloud().rhoMBF()[wppIndex][wppLocalFace] += m*invMagUnfA;
td.cloud().linearKEBF()[wppIndex][wppLocalFace] +=
0.5*m*(U_ & U_)*invMagUnfA;
td.cloud().internalEBF()[wppIndex][wppLocalFace] += Ei_*invMagUnfA;
td.cloud().iDofBF()[wppIndex][wppLocalFace] +=
constProps.internalDegreesOfFreedom()*invMagUnfA;
td.cloud().momentumBF()[wppIndex][wppLocalFace] += m*Ut*invMagUnfA;
// pre-interaction energy
scalar preIE = 0.5*m*(U_ & U_) + Ei_;
@ -133,27 +164,40 @@ void Foam::DsmcParcel<ParcelType>::hitWallPatch
typeId_
);
U_dot_nw = U_ & nw;
Ut = U_ - U_dot_nw*nw;
invMagUnfA = 1/max(mag(U_dot_nw)*fA, VSMALL);
td.cloud().rhoNBF()[wppIndex][wppLocalFace] += invMagUnfA;
td.cloud().rhoMBF()[wppIndex][wppLocalFace] += m*invMagUnfA;
td.cloud().linearKEBF()[wppIndex][wppLocalFace] +=
0.5*m*(U_ & U_)*invMagUnfA;
td.cloud().internalEBF()[wppIndex][wppLocalFace] += Ei_*invMagUnfA;
td.cloud().iDofBF()[wppIndex][wppLocalFace] +=
constProps.internalDegreesOfFreedom()*invMagUnfA;
td.cloud().momentumBF()[wppIndex][wppLocalFace] += m*Ut*invMagUnfA;
// post-interaction energy
scalar postIE = 0.5*m*(U_ & U_) + Ei_;
// post-interaction momentum
vector postIMom = m*U_;
label wppIndex = wpp.index();
label wppLocalFace = wpp.whichFace(this->face());
const scalar fA = mag(wpp.faceAreas()[wppLocalFace]);
const scalar deltaT = td.cloud().cachedDeltaT();
scalar deltaQ = td.cloud().nParticle()*(preIE - postIE)/(deltaT*fA);
vector deltaFD = td.cloud().nParticle()*(preIMom - postIMom)/(deltaT*fA);
td.cloud().q().boundaryField()[wppIndex][wppLocalFace] += deltaQ;
td.cloud().qBF()[wppIndex][wppLocalFace] += deltaQ;
td.cloud().fDBF()[wppIndex][wppLocalFace] += deltaFD;
td.cloud().fD().boundaryField()[wppIndex][wppLocalFace] += deltaFD;
}

7
src/lagrangian/dsmc/parcels/derived/dsmcParcel/makeDsmcParcelWallInteractionModels.C
View File

@ -28,6 +28,7 @@ License
#include "DsmcCloud.H"
#include "MaxwellianThermal.H"
#include "SpecularReflection.H"
#include "MixedDiffuseSpecular.H"
namespace Foam
{
@ -46,6 +47,12 @@ namespace Foam
DsmcCloud,
dsmcParcel
);
makeWallInteractionModelType
(
MixedDiffuseSpecular,
DsmcCloud,
dsmcParcel
);
};

7
src/lagrangian/dsmc/submodels/InflowBoundaryModel/FreeStream/FreeStream.C
View File

@ -136,12 +136,12 @@ void Foam::FreeStream<CloudType>::inflow()
const volScalarField::GeometricBoundaryField& boundaryT
(
cloud.T().boundaryField()
cloud.boundaryT().boundaryField()
);
const volVectorField::GeometricBoundaryField& boundaryU
(
cloud.U().boundaryField()
cloud.boundaryU().boundaryField()
);
forAll(patches_, p)
@ -165,7 +165,8 @@ void Foam::FreeStream<CloudType>::inflow()
if (min(boundaryT[patchI]) < SMALL)
{
FatalErrorIn ("Foam::FreeStream<CloudType>::inflow()")
<< "Zero boundary temperature detected, check boundaryT condition." << nl
<< "Zero boundary temperature detected, check boundaryT "
<< "condition." << nl
<< nl << abort(FatalError);
}

12
src/lagrangian/dsmc/submodels/WallInteractionModel/MaxwellianThermal/MaxwellianThermal.C
View File

@ -68,10 +68,10 @@ void Foam::MaxwellianThermal<CloudType>::correct
nw /= mag(nw);
// Normal velocity magnitude
scalar magUn = U & nw;
scalar U_dot_nw = U & nw;
// Wall tangential velocity (flow direction)
vector Ut = U - magUn*nw;
vector Ut = U - U_dot_nw*nw;
CloudType& cloud(this->owner());
@ -90,9 +90,9 @@ void Foam::MaxwellianThermal<CloudType>::correct
U.z()*(0.8 + 0.2*rndGen.scalar01())
);
magUn = U & nw;
U_dot_nw = U & nw;
Ut = U - magUn*nw;
Ut = U - U_dot_nw*nw;
}
// Wall tangential unit vector
@ -101,7 +101,7 @@ void Foam::MaxwellianThermal<CloudType>::correct
// Other tangential unit vector
vector tw2 = nw^tw1;
scalar T = cloud.T().boundaryField()[wppIndex][wppLocalFace];
scalar T = cloud.boundaryT().boundaryField()[wppIndex][wppLocalFace];
scalar mass = cloud.constProps(typeId).mass();
@ -115,7 +115,7 @@ void Foam::MaxwellianThermal<CloudType>::correct
- sqrt(-2.0*log(max(1 - rndGen.scalar01(), VSMALL)))*nw
);
U += cloud.U().boundaryField()[wppIndex][wppLocalFace];
U += cloud.boundaryU().boundaryField()[wppIndex][wppLocalFace];
Ei = cloud.equipartitionInternalEnergy(T, iDof);
}

140
src/lagrangian/dsmc/submodels/WallInteractionModel/MixedDiffuseSpecular/MixedDiffuseSpecular.C Normal file
View File

@ -0,0 +1,140 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2009-2009 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
\*---------------------------------------------------------------------------*/
#include "MixedDiffuseSpecular.H"
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
template <class CloudType>
Foam::MixedDiffuseSpecular<CloudType>::MixedDiffuseSpecular
(
const dictionary& dict,
CloudType& cloud
)
:
WallInteractionModel<CloudType>(dict, cloud, typeName),
diffuseFraction_(readScalar(this->coeffDict().lookup("diffuseFraction")))
{}
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
template <class CloudType>
Foam::MixedDiffuseSpecular<CloudType>::~MixedDiffuseSpecular()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
template <class CloudType>
void Foam::MixedDiffuseSpecular<CloudType>::correct
(
const wallPolyPatch& wpp,
const label faceId,
vector& U,
scalar& Ei,
label typeId
)
{
label wppIndex = wpp.index();
label wppLocalFace = wpp.whichFace(faceId);
vector nw = wpp.faceAreas()[wppLocalFace];
// Normal unit vector
nw /= mag(nw);
// Normal velocity magnitude
scalar U_dot_nw = U & nw;
CloudType& cloud(this->owner());
Random& rndGen(cloud.rndGen());
if (diffuseFraction_ > rndGen.scalar01())
{
// Diffuse reflection
// Wall tangential velocity (flow direction)
vector Ut = U - U_dot_nw*nw;
while (mag(Ut) < SMALL)
{
// If the incident velocity is parallel to the face normal, no
// tangential direction can be chosen. Add a perturbation to the
// incoming velocity and recalculate.
U = vector
(
U.x()*(0.8 + 0.2*rndGen.scalar01()),
U.y()*(0.8 + 0.2*rndGen.scalar01()),
U.z()*(0.8 + 0.2*rndGen.scalar01())
);
U_dot_nw = U & nw;
Ut = U - U_dot_nw*nw;
}
// Wall tangential unit vector
vector tw1 = Ut/mag(Ut);
// Other tangential unit vector
vector tw2 = nw^tw1;
scalar T = cloud.boundaryT().boundaryField()[wppIndex][wppLocalFace];
scalar mass = cloud.constProps(typeId).mass();
scalar iDof = cloud.constProps(typeId).internalDegreesOfFreedom();
U =
sqrt(CloudType::kb*T/mass)
*(
rndGen.GaussNormal()*tw1
+ rndGen.GaussNormal()*tw2
- sqrt(-2.0*log(max(1 - rndGen.scalar01(), VSMALL)))*nw
);
U += cloud.boundaryU().boundaryField()[wppIndex][wppLocalFace];
Ei = cloud.equipartitionInternalEnergy(T, iDof);
}
else
{
// Specular reflection
if (U_dot_nw > 0.0)
{
U -= 2.0*U_dot_nw*nw;
}
}
}
// ************************************************************************* //

106
src/lagrangian/dsmc/submodels/WallInteractionModel/MixedDiffuseSpecular/MixedDiffuseSpecular.H Normal file
View File

@ -0,0 +1,106 @@
/*---------------------------------------------------------------------------*\
========= |
\\ / F ield | OpenFOAM: The Open Source CFD Toolbox
\\ / O peration |
\\ / A nd | Copyright (C) 2009-2009 OpenCFD Ltd.
\\/ M anipulation |
-------------------------------------------------------------------------------
License
This file is part of OpenFOAM.
OpenFOAM is free software; you can redistribute it and/or modify it
under the terms of the GNU General Public License as published by the
Free Software Foundation; either version 2 of the License, or (at your
option) any later version.
OpenFOAM is distributed in the hope that it will be useful, but WITHOUT
ANY WARRANTY; without even the implied warranty of MERCHANTABILITY or
FITNESS FOR A PARTICULAR PURPOSE. See the GNU General Public License
for more details.
You should have received a copy of the GNU General Public License
along with OpenFOAM; if not, write to the Free Software Foundation,
Inc., 51 Franklin St, Fifth Floor, Boston, MA 02110-1301 USA
Class
Foam::MixedDiffuseSpecular
Description
Wall interaction setting microscopic velocity to a random one drawn from a
Maxwellian distribution corresponding to a specified temperature
\*---------------------------------------------------------------------------*/
#ifndef MixedDiffuseSpecular_H
#define MixedDiffuseSpecular_H
#include "WallInteractionModel.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
/*---------------------------------------------------------------------------*\
Class MixedDiffuseSpecular Declaration
\*---------------------------------------------------------------------------*/
template<class CloudType>
class MixedDiffuseSpecular
:
public WallInteractionModel<CloudType>
{
// Private data
//- Fraction of wall interactions that are diffuse
scalar diffuseFraction_;
public:
//- Runtime type information
TypeName("MixedDiffuseSpecular");
// Constructors
//- Construct from dictionary
MixedDiffuseSpecular
(
const dictionary& dict,
CloudType& cloud
);
// Destructor
virtual ~MixedDiffuseSpecular();
// Member Functions
//- Apply wall correction
virtual void correct
(
const wallPolyPatch& wpp,
const label faceId,
vector& U,
scalar& Ei,
label typeId
);
};
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#ifdef NoRepository
# include "MixedDiffuseSpecular.C"
#endif
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
#endif
// ************************************************************************* //

6
src/lagrangian/dsmc/submodels/WallInteractionModel/SpecularReflection/SpecularReflection.C
View File

@ -63,11 +63,11 @@ void Foam::SpecularReflection<CloudType>::correct
vector nw = wpp.faceAreas()[wpp.whichFace(faceId)];
nw /= mag(nw);
scalar magUn = U & nw;
scalar U_dot_nw = U & nw;
if (magUn > 0.0)
if (U_dot_nw > 0.0)
{
U -= 2.0*magUn*nw;
U -= 2.0*U_dot_nw*nw;
}
}

108
src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.C
View File

@ -25,27 +25,49 @@ License
\*----------------------------------------------------------------------------*/
#include "distribution.H"
#include "OFstream.H"
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
namespace Foam
{
defineTypeNameAndDebug(distribution, 0);
}
// * * * * * * * * * * * * * Static Member Functions * * * * * * * * * * * * //
void Foam::distribution::write
(
const fileName& file,
const List<Pair<scalar> >& pairs
)
{
OFstream os(file);
forAll(pairs, i)
{
os << pairs[i].first() << ' ' << pairs[i].second() << nl;
}
}
// * * * * * * * * * * * * * * * * Constructors * * * * * * * * * * * * * * //
distribution::distribution()
Foam::distribution::distribution()
:
Map<label>(),
binWidth_(1)
{}
distribution::distribution(const scalar binWidth)
Foam::distribution::distribution(const scalar binWidth)
:
Map<label>(),
binWidth_(binWidth)
{}
distribution::distribution(const distribution& d)
Foam::distribution::distribution(const distribution& d)
:
Map<label>(static_cast< Map<label> >(d)),
binWidth_(d.binWidth())
@ -54,13 +76,13 @@ distribution::distribution(const distribution& d)
// * * * * * * * * * * * * * * * * Destructor * * * * * * * * * * * * * * * //
distribution::~distribution()
Foam::distribution::~distribution()
{}
// * * * * * * * * * * * * * * * Member Functions * * * * * * * * * * * * * //
label distribution::totalEntries() const
Foam::label Foam::distribution::totalEntries() const
{
label sumOfEntries = 0;
@ -88,7 +110,7 @@ label distribution::totalEntries() const
}
scalar distribution::approxTotalEntries() const
Foam::scalar Foam::distribution::approxTotalEntries() const
{
scalar sumOfEntries = 0;
@ -101,7 +123,7 @@ scalar distribution::approxTotalEntries() const
}
scalar distribution::mean() const
Foam::scalar Foam::distribution::mean() const
{
scalar runningSum = 0;
@ -124,7 +146,7 @@ scalar distribution::mean() const
}
scalar distribution::median()
Foam::scalar Foam::distribution::median()
{
// From:
// http://mathworld.wolfram.com/StatisticalMedian.html
@ -188,7 +210,7 @@ scalar distribution::median()
}
void distribution::add(const scalar valueToAdd)
void Foam::distribution::add(const scalar valueToAdd)
{
iterator iter(this->begin());
@ -218,13 +240,13 @@ void distribution::add(const scalar valueToAdd)
}
void distribution::add(const label valueToAdd)
void Foam::distribution::add(const label valueToAdd)
{
add(scalar(valueToAdd));
}
void distribution::insertMissingKeys()
void Foam::distribution::insertMissingKeys()
{
iterator iter(this->begin());
@ -247,7 +269,7 @@ void distribution::insertMissingKeys()
}
List< Pair<scalar> > distribution::normalised()
Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalised()
{
scalar totEnt = approxTotalEntries();
@ -268,17 +290,25 @@ List< Pair<scalar> > distribution::normalised()
normDist[k].second() = scalar((*this)[key])/totEnt/binWidth_;
}
if (debug)
{
Info<< "totEnt: " << totEnt << endl;
}
return normDist;
}
List< Pair<scalar> > distribution::normalisedMinusMean()
Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalisedMinusMean()
{
return normalisedShifted(mean());
}
List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::normalisedShifted
(
scalar shiftValue
)
{
List<Pair<scalar> > oldDist(normalised());
@ -301,20 +331,23 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
label newKey = lowestNewKey;
// Info << shiftValue
// << nl << lowestOldBin
// << nl << lowestNewKey
// << nl << interpolationStartDirection
// << endl;
if (debug)
{
Info<< shiftValue
<< nl << lowestOldBin
<< nl << lowestNewKey
<< nl << interpolationStartDirection
<< endl;
// scalar checkNormalisation = 0;
scalar checkNormalisation = 0;
// forAll (oldDist, oD)
// {
// checkNormalisation += oldDist[oD].second()*binWidth_;
// }
forAll (oldDist, oD)
{
checkNormalisation += oldDist[oD].second()*binWidth_;
}
// Info << "Initial normalisation = " << checkNormalisation << endl;
Info<< "Initial normalisation = " << checkNormalisation << endl;
}
forAll(oldDist,u)
{
@ -368,20 +401,23 @@ List< Pair<scalar> > distribution::normalisedShifted(const scalar shiftValue)
newKey++;
}
// checkNormalisation = 0;
if (debug)
{
scalar checkNormalisation = 0;
// forAll (newDist, nD)
// {
// checkNormalisation += newDist[nD].second()*binWidth_;
// }
forAll (newDist, nD)
{
checkNormalisation += newDist[nD].second()*binWidth_;
}
// Info << "Shifted normalisation = " << checkNormalisation << endl;
Info<< "Shifted normalisation = " << checkNormalisation << endl;
}
return newDist;
}
List<Pair<scalar> > distribution::raw()
Foam::List<Foam::Pair<Foam::scalar> > Foam::distribution::raw()
{
insertMissingKeys();
@ -406,7 +442,7 @@ List<Pair<scalar> > distribution::raw()
// * * * * * * * * * * * * * * * Member Operators * * * * * * * * * * * * * //
void distribution::operator=(const distribution& rhs)
void Foam::distribution::operator=(const distribution& rhs)
{
// Check for assignment to self
if (this == &rhs)
@ -424,7 +460,7 @@ void distribution::operator=(const distribution& rhs)
// * * * * * * * * * * * * * * * Friend Operators * * * * * * * * * * * * * //
Ostream& operator<<(Ostream& os, const distribution& d)
Foam::Ostream& Foam::operator<<(Ostream& os, const distribution& d)
{
os << d.binWidth_
<< static_cast<const Map<label>&>(d);
@ -440,8 +476,4 @@ Ostream& operator<<(Ostream& os, const distribution& d)
}
// * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * * //
} // End namespace Foam
// ************************************************************************* //

21
src/lagrangian/molecularDynamics/molecularMeasurements/distribution/distribution.H
View File

@ -26,6 +26,8 @@ Class
Foam::distribution
Description
Accumulating histogram of values. Specified bin resolution
automatic generation of bins.
SourceFiles
distributionI.H
@ -59,6 +61,21 @@ class distribution
public:
//- Runtime type information
TypeName("distribution");
// Static functions
//- write to file
static void write
(
const fileName& file,
const List<Pair<scalar> >& pairs
);
// Constructors
//- Construct null
@ -73,7 +90,7 @@ public:
// Destructor
~distribution();
virtual ~distribution();
// Member Functions
@ -97,7 +114,7 @@ public:
List<Pair<scalar> > normalisedMinusMean();
List<Pair<scalar> > normalisedShifted(const scalar shiftValue);
List<Pair<scalar> > normalisedShifted(scalar shiftValue);
List<Pair<scalar> > raw();

45
src/postProcessing/functionObjects/utilities/dsmcFields/dsmcFields.C
View File

@ -106,6 +106,7 @@ void Foam::dsmcFields::write()
word linearKEMeanName = "linearKEMean";
word internalEMeanName = "internalEMean";
word iDofMeanName = "iDofMean";
word fDMeanName = "fDMean";
const volScalarField& rhoNMean = obr_.lookupObject<volScalarField>
(
@ -137,6 +138,11 @@ void Foam::dsmcFields::write()
iDofMeanName
);
volVectorField fDMean = obr_.lookupObject<volVectorField>
(
fDMeanName
);
if (min(mag(rhoNMean)).value() > VSMALL)
{
Info<< "Calculating dsmcFields." << endl;
@ -165,7 +171,7 @@ void Foam::dsmcFields::write()
IOobject::NO_READ
),
2.0/(3.0*dsmcCloud::kb*rhoNMean)
*(linearKEMean - 0.5*rhoMMean*(UMean & UMean))
*(linearKEMean - 0.5*rhoMMean*(UMean & UMean))
);
Info<< " Calculating internalT field." << endl;
@ -178,7 +184,7 @@ void Foam::dsmcFields::write()
obr_,
IOobject::NO_READ
),
2.0/(dsmcCloud::kb*iDofMean)*internalEMean
(2.0/dsmcCloud::kb)*(internalEMean/iDofMean)
);
Info<< " Calculating overallT field." << endl;
@ -192,9 +198,36 @@ void Foam::dsmcFields::write()
IOobject::NO_READ
),
2.0/(dsmcCloud::kb*(3.0*rhoNMean + iDofMean))
*(linearKEMean - 0.5*rhoMMean*(UMean & UMean) + internalEMean)
*(linearKEMean - 0.5*rhoMMean*(UMean & UMean) + internalEMean)
);
Info<< " Calculating pressure field." << endl;
volScalarField p
(
IOobject
(
"p",
obr_.time().timeName(),
obr_,
IOobject::NO_READ
),
dsmcCloud::kb*rhoNMean*translationalT
);
const fvMesh& mesh = fDMean.mesh();
forAll(mesh.boundaryMesh(), i)
{
const polyPatch& patch = mesh.boundaryMesh()[i];
if (isA<wallPolyPatch>(patch))
{
p.boundaryField()[i] =
fDMean.boundaryField()[i]
& (patch.faceAreas()/mag(patch.faceAreas()));
}
}
Info<< " mag(UMean) max/min : "
<< max(mag(UMean)).value() << " "
<< min(mag(UMean)).value() << endl;
@ -211,6 +244,10 @@ void Foam::dsmcFields::write()
<< max(overallT).value() << " "
<< min(overallT).value() << endl;
Info<< " p max/min : "
<< max(p).value() << " "
<< min(p).value() << endl;
UMean.write();
translationalT.write();
@ -219,6 +256,8 @@ void Foam::dsmcFields::write()
overallT.write();
p.write();
Info<< "dsmcFields written." << nl << endl;
}
else