Files
openfoam/tutorials/discreteMethods/molecularDynamics/gnemdFoam/constrictedChannel/system/molConfigDict

65 lines
1.9 KiB
C++

/*--------------------------------*- 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 );
}
// ************************************************************************* //