Homec4science
Diffusion lammps (lammps-icms) Browse

lammps/lib/atc/WeakEquationElectronMomentum.cpp
db1e17197fcflammps-icms

Last Change
Raw File

WeakEquationElectronMomentum.cpp
View Options

#include "WeakEquationElectronMomentum.h"
#include "Material.h"
#include "LammpsInterface.h"
namespace ATC {
//==============================================================
// Class WeakEquationElectronMomentum
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
WeakEquationElectronMomentum::WeakEquationElectronMomentum()
: WeakEquation(STATIC_PDE,ELECTRON_VELOCITY,3)
{}
//--------------------------------------------------------------
// Destructor
//--------------------------------------------------------------
WeakEquationElectronMomentum::~WeakEquationElectronMomentum()
{}
void WeakEquationElectronMomentum::convection(const FIELD_MATS &fields,
const Material * material,
DENS_MAT_VEC & flux) const
{
// set up mass density
FIELD_MATS::const_iterator nField = fields.find(ELECTRON_DENSITY);
const DENS_MAT & n = nField->second;
DENS_MAT nMe(n.nRows(),n.nCols());
material->inv_effective_mass(fields,nMe);
nMe = n.div_by_element(nMe);
// set up velocity and flux
FIELD_MATS::const_iterator vField = fields.find(ELECTRON_VELOCITY);
const DENS_MAT & velocity = vField->second;
const CLON_VEC u(velocity,CLONE_COL,0);
const CLON_VEC v(velocity,CLONE_COL,1);
const CLON_VEC w(velocity,CLONE_COL,2);
flux[0] = velocity;
flux[1] = velocity;
flux[2] = velocity;
CLON_VEC nuu(flux[0],CLONE_COL,0);
CLON_VEC nuv(flux[1],CLONE_COL,0);
CLON_VEC nuw(flux[2],CLONE_COL,0);
CLON_VEC nvu(flux[0],CLONE_COL,1);
CLON_VEC nvv(flux[1],CLONE_COL,1);
CLON_VEC nvw(flux[2],CLONE_COL,1);
CLON_VEC nwu(flux[0],CLONE_COL,2);
CLON_VEC nwv(flux[1],CLONE_COL,2);
CLON_VEC nww(flux[2],CLONE_COL,2);
for (int i = 0; i < n.nRows(); i++) {
// tensor product of velocities
nuu(i) *= nMe(i,0)*u(i);
nuv(i) *= nMe(i,0)*v(i);
nuw(i) *= nMe(i,0)*w(i);
nvu(i) *= nMe(i,0)*u(i);
nvv(i) *= nMe(i,0)*v(i);
nvw(i) *= nMe(i,0)*w(i);
nwu(i) *= nMe(i,0)*u(i);
nwv(i) *= nMe(i,0)*v(i);
nww(i) *= nMe(i,0)*w(i);
}
};
//---------------------------------------------------------------------
// compute mass density
//---------------------------------------------------------------------
void WeakEquationElectronMomentum::M_integrand(
const FIELD_MATS &fields,
const Material * material,
DENS_MAT & density ) const
{
material->electron_mass_density(fields, density);
}
//--------------------------------------------------------------
void WeakEquationElectronMomentum::B_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT_VEC &flux) const
{
convection(fields,material,flux);
}
//==============================================================
// Class WeakEquationElectronMomentumDDM
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
WeakEquationElectronMomentumDDM::WeakEquationElectronMomentumDDM()
: WeakEquationElectronMomentum()
{
DENS_MAT dummy;
_dnCp_.reserve(nsd_);
for (int i = 0; i < nsd_; i++)
_dnCp_.push_back(dummy);
_electricForce_.reserve(nsd_);
for (int i = 0; i < nsd_; i++)
_electricForce_.push_back(dummy);
}
//--------------------------------------------------------------
// Destructor
//--------------------------------------------------------------
WeakEquationElectronMomentumDDM::~WeakEquationElectronMomentumDDM()
{}
void WeakEquationElectronMomentumDDM::thermal_stress(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
const Material * material,
DENS_MAT &flux) const
{
GRAD_FIELD_MATS::const_iterator dtField = gradFields.find(ELECTRON_TEMPERATURE);
const DENS_MAT_VEC & DTe = dtField->second;
CLON_VEC tsx(flux,CLONE_COL,0);
CLON_VEC tsy(flux,CLONE_COL,1);
CLON_VEC tsz(flux,CLONE_COL,2);
// ith velocity component has thermal stress of
// d_i n * Cp * Te
DENS_MAT nCp(DTe[0].nRows(),DTe[0].nCols());
material->electron_heat_capacity(fields,nCp);
nCp *= 2./3.; // correction to capacity account for convection
tsx += nCp.mult_by_element(DTe[0]);
tsy += nCp.mult_by_element(DTe[1]);
tsz += nCp.mult_by_element(DTe[2]);
FIELD_MATS::const_iterator tField = fields.find(ELECTRON_TEMPERATURE);
const DENS_MAT & Te = tField->second;
material->D_electron_heat_capacity(fields,gradFields,_dnCp_);
for (int i = 0; i < nsd_; i++)
_dnCp_[i] *= 2./3.; // correction to capacity account for convection
tsx += Te.mult_by_element(_dnCp_[0]);
tsy += Te.mult_by_element(_dnCp_[1]);
tsz += Te.mult_by_element(_dnCp_[2]);
}
//---------------------------------------------------------------------
// compute mass density
//---------------------------------------------------------------------
void WeakEquationElectronMomentumDDM::M_integrand(
const FIELD_MATS &fields,
const Material * material,
DENS_MAT & density ) const
{
material->electron_drag_velocity_coefficient(fields, density);
}
//--------------------------------------------------------------
bool WeakEquationElectronMomentumDDM::N_integrand(
const FIELD_MATS &fields,
const GRAD_FIELD_MATS &grad_fields,
const Material * material,
DENS_MAT &flux) const
{
FIELD_MATS::const_iterator vField = fields.find(ELECTRON_VELOCITY);
const DENS_MAT & velocity = vField->second;
flux.reset(velocity.nRows(),velocity.nCols());
thermal_stress(fields, grad_fields, material, flux);
material->electric_displacement(fields, grad_fields, _electricForce_);
FIELD_MATS::const_iterator nField = fields.find(ELECTRON_DENSITY);
const DENS_MAT & n = nField->second;
CLON_VEC tsx(flux,CLONE_COL,0);
CLON_VEC tsy(flux,CLONE_COL,1);
CLON_VEC tsz(flux,CLONE_COL,2);
tsx += n.mult_by_element(_electricForce_[0]);
tsy += n.mult_by_element(_electricForce_[1]);
tsz += n.mult_by_element(_electricForce_[2]);
return true;
}
}; // END namespace
c4science · Help