ATC version 2.0, date: Aug7
git-svn-id: svn://svn.icms.temple.edu/lammps-ro/trunk@10561 f3b2605a-c512-4ea7-a41b-209d697bcdaa
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rjones
228
lib/atc/WeakEquationElectronTemperature.cpp
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228
lib/atc/WeakEquationElectronTemperature.cpp
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#include "WeakEquationElectronTemperature.h"
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#include "Material.h"
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#include <string>
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#include <iostream>
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#include <fstream>
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namespace ATC {
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//==============================================================
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// Class WeakEquationElectronTemperature
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//==============================================================
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//--------------------------------------------------------------
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// Constructor
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//--------------------------------------------------------------
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WeakEquationElectronTemperature::WeakEquationElectronTemperature()
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: WeakEquation(DYNAMIC_PDE,ELECTRON_TEMPERATURE,1)
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{
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}
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//--------------------------------------------------------------
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// Destructor
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//---------------------------------------------------------------------
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WeakEquationElectronTemperature::~WeakEquationElectronTemperature(void)
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{}
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//---------------------------------------------------------------------
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// compute energy
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperature::E_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT & energy ) const
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{
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material->electron_thermal_energy(fields, energy);
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}
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//---------------------------------------------------------------------
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// compute heat capacities
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperature::M_integrand(
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const FIELD_MATS &fields,
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const Material * material,
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DENS_MAT & capacity ) const
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{
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material->electron_heat_capacity(fields, capacity);
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}
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//---------------------------------------------------------------------
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// compute heat fluxes
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperature::B_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT_VEC &flux) const
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{
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material->electron_heat_flux(fields, grad_fields, flux);
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}
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//---------------------------------------------------------------------
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// compute exchange fluxes
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//---------------------------------------------------------------------
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bool WeakEquationElectronTemperature::N_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT &flux) const
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{
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DENS_MAT exchange_flux;
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bool has = material->electron_phonon_exchange(fields, exchange_flux);
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if (has) flux = -1.*exchange_flux;
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return has;
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}
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//==============================================================
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// Class WeakEquationElectronJouleHeating
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//==============================================================
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//--------------------------------------------------------------
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// Constructor
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//--------------------------------------------------------------
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WeakEquationElectronTemperatureJouleHeating::WeakEquationElectronTemperatureJouleHeating()
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: WeakEquationElectronTemperature()
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{
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// convert charge * voltage --> mass length^2 / time^2
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//eV2E_ = (ATC::LammpsInterface::instance()->qe2f())
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// * (ATC::LammpsInterface::instance()->ftm2v());
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eV2E_ = ATC::LammpsInterface::instance()->qv2e();
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int nSD = 3;
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_J_.assign(nSD, DENS_MAT());
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_E_.assign(nSD, DENS_MAT());
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}
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//--------------------------------------------------------------
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// Destructor
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//---------------------------------------------------------------------
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WeakEquationElectronTemperatureJouleHeating::~WeakEquationElectronTemperatureJouleHeating(void)
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{}
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperatureJouleHeating::E_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT &energy) const
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{
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WeakEquationElectronTemperature::E_integrand(fields, grad_fields, material, energy);
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}
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperatureJouleHeating::M_integrand(
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const FIELD_MATS &fields,
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const Material * material,
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DENS_MAT &capacity) const
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{
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WeakEquationElectronTemperature::M_integrand(fields, material, capacity);
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}
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperatureJouleHeating::B_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT_VEC &flux) const
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{
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WeakEquationElectronTemperature::B_integrand(fields, grad_fields, material, flux);
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}
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//---------------------------------------------------------------------
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bool WeakEquationElectronTemperatureJouleHeating::N_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT &flux) const
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{
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// call base class to get electron_temperature terms
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WeakEquationElectronTemperature::N_integrand(fields, grad_fields, material, flux);
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DENS_MAT jouleHeating;
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material->electron_flux (fields, grad_fields, _J_);
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material->electric_field(fields, grad_fields, _E_);
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jouleHeating = _J_[0].mult_by_element(_E_[0]);
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for (DENS_MAT_VEC::size_type i=1; i < _J_.size(); i++)
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jouleHeating += _J_[i].mult_by_element(_E_[i]);
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jouleHeating *= eV2E_;
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flux += jouleHeating;
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return true;
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}
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//==============================================================
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// Class WeakEquationElectronConvection
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//==============================================================
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//--------------------------------------------------------------
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// Constructor
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//--------------------------------------------------------------
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WeakEquationElectronTemperatureConvection::WeakEquationElectronTemperatureConvection()
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: WeakEquationElectronTemperature()
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{
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int nSD = 3;
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_convectiveFlux_.assign(nSD, DENS_MAT());
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}
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//--------------------------------------------------------------
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// Destructor
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//---------------------------------------------------------------------
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WeakEquationElectronTemperatureConvection::~WeakEquationElectronTemperatureConvection(void)
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{
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// do nothing
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}
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//---------------------------------------------------------------------
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void WeakEquationElectronTemperatureConvection::B_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT_VEC &flux) const
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{
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// add diffusion term
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WeakEquationElectronTemperature::B_integrand(fields, grad_fields, material, flux);
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//flux[0] = 0.;
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//flux[1] = 0.;
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//flux[2] = 0.;
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// add convection term
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DENS_MAT_VEC convectiveFlux;
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material->electron_heat_convection(fields,_convectiveFlux_);
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flux[0] += _convectiveFlux_[0];
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flux[1] += _convectiveFlux_[1];
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flux[2] += _convectiveFlux_[2];
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}
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//---------------------------------------------------------------------
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bool WeakEquationElectronTemperatureConvection::N_integrand(
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const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &grad_fields,
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const Material * material,
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DENS_MAT &flux) const
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{
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// call base class to get electron_temperature terms
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WeakEquationElectronTemperature::N_integrand(fields, grad_fields, material, flux);
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// add exchange with kinetic energy
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DENS_MAT keExchange;
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DENS_MAT capacity;
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material->electron_heat_capacity(fields, capacity);
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capacity *= 2./3.; // correction in DDM equations
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//FIELD_MATS::const_iterator dField = fields.find(ELECTRON_DENSITY);
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FIELD_MATS::const_iterator tField = fields.find(ELECTRON_TEMPERATURE);
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//const DENS_MAT & density = dField->second;
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const DENS_MAT & temperature = tField->second;
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GRAD_FIELD_MATS::const_iterator velocityGradients = grad_fields.find(ELECTRON_VELOCITY);
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const DENS_MAT_VEC & dv = velocityGradients->second;
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CLON_VEC vxx(dv[0],CLONE_COL,0);
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CLON_VEC vyy(dv[1],CLONE_COL,1);
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CLON_VEC vzz(dv[2],CLONE_COL,2);
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keExchange = vxx + vyy + vzz;
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//keExchange *= density;
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keExchange *= temperature;
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keExchange *= capacity;
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flux -= keExchange;
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return true;
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}
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}; // end namespace
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