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lammps/lib/atc/PhysicsModelTwoTemperature.cpp
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PhysicsModelTwoTemperature.cpp
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#include "PhysicsModelTwoTemperature.h"
#include "Material.h"
#include <string>
#include <iostream>
#include <fstream>
namespace ATC {
//==============================================================
// Class PhysicsModelTwoTemperature
//==============================================================
//--------------------------------------------------------------
// Constructor
//--------------------------------------------------------------
PhysicsModelTwoTemperature::PhysicsModelTwoTemperature(string matFileName,
ATC_Transfer * atcTransfer)
: PhysicsModel(matFileName,atcTransfer)
{
initialize();
}
//--------------------------------------------------------------
// Destructor
//---------------------------------------------------------------------
PhysicsModelTwoTemperature::~PhysicsModelTwoTemperature(void)
{}
//---------------------------------------------------------------------
// intialization
//---------------------------------------------------------------------
void PhysicsModelTwoTemperature::initialize(void)
{
string list[5] = {"heat_capacity",
"electron_heat_capacity",
"heat_flux",
"electron_heat_flux",
"electron_phonon_exchange"};
set<string> needs(list,list+5);
vector< Material* >::iterator iter;
for (iter = materials_.begin(); iter != materials_.end(); iter++) {
Material * mat = *iter;
if (! (mat->check_registry(needs)) ) {
throw ATC_Error(0,"material " + mat->label() + " does not provide all interfaces for physics");
}
}
}
//---------------------------------------------------------------------
// compute energy
//---------------------------------------------------------------------
void PhysicsModelTwoTemperature::E_integrand(const Array<FieldName> &mask,
const FIELDS &fields,
const GRAD_FIELDS &grad_fields,
FIELDS &energy,
const int matIndex) const
{
Material* material = materials_[matIndex];
for (int n = 0; n < mask.get_length(); n++) {
if (mask(n) == TEMPERATURE) {
material->thermal_energy(fields, energy[TEMPERATURE]);
}
else if (mask(n) == ELECTRON_TEMPERATURE) {
material->electron_thermal_energy(fields, energy[ELECTRON_TEMPERATURE]);
}
}
}
//---------------------------------------------------------------------
// compute heat capacities
//---------------------------------------------------------------------
void PhysicsModelTwoTemperature::M_integrand(const Array<FieldName> &mask,
const FIELDS &fields,
FIELDS &capacity,
const int matIndex) const
{
Material* material = materials_[matIndex];
for (int n = 0; n < mask.get_length(); n++) {
if (mask(n) == TEMPERATURE) {
material->heat_capacity(fields, capacity[TEMPERATURE]);
}
else if (mask(n) == ELECTRON_TEMPERATURE) {
material->electron_heat_capacity(fields, capacity[ELECTRON_TEMPERATURE]);
}
}
}
//---------------------------------------------------------------------
// compute heat fluxes
//---------------------------------------------------------------------
void PhysicsModelTwoTemperature::B_integrand(const Array2D<bool> & mask,
const FIELDS &fields,
const GRAD_FIELDS &grad_fields,
GRAD_FIELDS &flux,
const int matIndex) const
{
Material * material = materials_[matIndex];
if (mask(TEMPERATURE,FLUX)) {
material->heat_flux(fields, grad_fields, flux[TEMPERATURE]);
}
if (mask(ELECTRON_TEMPERATURE,FLUX)) {
material->electron_heat_flux(fields, grad_fields, flux[ELECTRON_TEMPERATURE]);
}
}
//---------------------------------------------------------------------
// compute exchange fluxes
//---------------------------------------------------------------------
void PhysicsModelTwoTemperature::N_integrand(const Array2D<bool> &mask,
const FIELDS &fields,
const GRAD_FIELDS &grad_fields,
FIELDS &flux,
const int matIndex) const
{
Material * material = materials_[matIndex];
FIELD exchange_flux;
material->electron_phonon_exchange(fields, exchange_flux);
if (mask(TEMPERATURE,SOURCE)) {
flux[TEMPERATURE] = exchange_flux;
}
if (mask(ELECTRON_TEMPERATURE,SOURCE)) {
flux[ELECTRON_TEMPERATURE] = -1.*exchange_flux;
}
}
}// end namespace
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