forked from lijiext/lammps
226 lines
9.5 KiB
C++
226 lines
9.5 KiB
C++
#ifndef ELECTRON_HEAT_CAPACITY_H
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#define ELECTRON_HEAT_CAPACITY_H
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#include <map>
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#include <string>
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#include "ATC_TypeDefs.h"
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#include "Material.h"
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namespace ATC {
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/**
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* @class ElectronHeatCapacity
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* @brief Base class for defining the heat capcity of the electron gas
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*/
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class ElectronHeatCapacity
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{
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public:
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ElectronHeatCapacity() {};
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virtual ~ElectronHeatCapacity() {};
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/** computes heat capacity */
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virtual void electron_heat_capacity(const FIELD_MATS &fields,
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DENS_MAT &capacity)=0;
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/** derivative of electron heat capacity */
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virtual void D_electron_heat_capacity(const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &gradFields,
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DENS_MAT_VEC & Dcapacity)=0;
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/** computes thermal energy */
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virtual void electron_thermal_energy(const FIELD_MATS &fields,
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DENS_MAT &energy)=0;
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};
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//-------------------------------------------------------------------
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/**
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* @class ElectronHeatCapacityConstant
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* @brief Class for a constant electron heat capacity
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*/
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class ElectronHeatCapacityConstant : public ElectronHeatCapacity
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{
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public:
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ElectronHeatCapacityConstant(std::fstream &matfile,
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std::map<std::string,double> & parameters);
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virtual ~ElectronHeatCapacityConstant() {};
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virtual void electron_heat_capacity(const FIELD_MATS &fields,
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DENS_MAT &capacity)
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{
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT & T = etField->second;
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capacity.resize(T.nRows(),T.nCols());
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capacity = electronHeatCapacity_;
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};
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virtual void D_electron_heat_capacity(const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &gradFields,
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DENS_MAT_VEC & Dcapacity)
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{
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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zeroWorkspace_.reset((etField->second).nRows(),(etField->second).nCols());
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Dcapacity[0] = zeroWorkspace_;
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Dcapacity[1] = zeroWorkspace_;
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Dcapacity[2] = zeroWorkspace_;
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}
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virtual void electron_thermal_energy(const FIELD_MATS &fields,
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DENS_MAT &energy)
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{
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT & T = etField->second;
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energy = electronHeatCapacity_ * T;
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};
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protected:
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double electronHeatCapacity_;
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DENS_MAT zeroWorkspace_;
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};
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//-------------------------------------------------------------------
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/**
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* @class ElectronHeatCapacityLinear
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* @brief Class for an electron capacity that is directly proportional to the electron temperature
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*/
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class ElectronHeatCapacityLinear : public ElectronHeatCapacity
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{
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public:
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ElectronHeatCapacityLinear(std::fstream &matfile,
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std::map<std::string,double> & parameters);
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virtual ~ElectronHeatCapacityLinear() {};
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virtual void electron_heat_capacity(const FIELD_MATS &fields,
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DENS_MAT &capacity)
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{
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT & T = etField->second;
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capacity = electronHeatCapacity_*T;
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};
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virtual void D_electron_heat_capacity(const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &gradFields,
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DENS_MAT_VEC &Dcapacity)
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{
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GRAD_FIELD_MATS::const_iterator dEtField = gradFields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT_VEC & dT = dEtField->second;
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Dcapacity[0] = electronHeatCapacity_ * dT[0];
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Dcapacity[1] = electronHeatCapacity_ * dT[1];
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Dcapacity[2] = electronHeatCapacity_ * dT[2];
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}
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virtual void electron_thermal_energy(const FIELD_MATS &fields,
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DENS_MAT &energy)
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{
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT & T = etField->second;
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energy = electronHeatCapacity_ * T;
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energy *= T;
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};
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protected:
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double electronHeatCapacity_;
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};
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//-------------------------------------------------------------------
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/**
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* @class ElectronHeatCapacityConstantAddDensity
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* @brief Class for a constant electron specific heat capacity (i.e, does not include the electron density)
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*/
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class ElectronHeatCapacityConstantAddDensity : public ElectronHeatCapacityConstant
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{
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public:
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ElectronHeatCapacityConstantAddDensity(std::fstream &matfile,
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std::map<std::string,double> & parameters,
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Material * material);
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virtual ~ElectronHeatCapacityConstantAddDensity() {};
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virtual void electron_heat_capacity(const FIELD_MATS &fields,
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DENS_MAT &capacity)
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{
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ElectronHeatCapacityConstant::electron_heat_capacity(fields,capacity);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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capacity = capacity.mult_by_element(density);
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};
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virtual void D_electron_heat_capacity(const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &gradFields,
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DENS_MAT_VEC &Dcapacity)
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{
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ElectronHeatCapacityConstant::D_electron_heat_capacity(fields,gradFields,Dcapacity);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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Dcapacity[0] *= density;
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Dcapacity[1] *= density;
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Dcapacity[2] *= density;
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GRAD_FIELD_MATS::const_iterator dEdField = gradFields.find(ELECTRON_DENSITY);
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const DENS_MAT_VEC & Ddensity = dEdField->second;
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ElectronHeatCapacityConstant::electron_heat_capacity(fields,capacityMat_);
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Dcapacity[0] += Ddensity[0].mult_by_element(capacityMat_);
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Dcapacity[1] += Ddensity[1].mult_by_element(capacityMat_);
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Dcapacity[2] += Ddensity[2].mult_by_element(capacityMat_);
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}
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virtual void electron_thermal_energy(const FIELD_MATS &fields,
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DENS_MAT &energy)
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{
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ElectronHeatCapacityConstant::electron_thermal_energy(fields,energy);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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energy *= density;
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};
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protected:
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Material * material_;
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DENS_MAT capacityMat_; // avoid resizing if possible
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};
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//-------------------------------------------------------------------
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/**
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* @class ElectronHeatCapacityLinearAddDensity
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* @brief Class for a electron specific heat capacity that is proportional to the temperature (i.e., does not include density)
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*/
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class ElectronHeatCapacityLinearAddDensity : public ElectronHeatCapacityLinear
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{
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public:
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ElectronHeatCapacityLinearAddDensity(std::fstream &matfile,
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std::map<std::string,double> & parameters,
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Material * material);
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virtual ~ElectronHeatCapacityLinearAddDensity() {};
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virtual void electron_heat_capacity(const FIELD_MATS &fields,
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DENS_MAT &capacity)
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{
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ElectronHeatCapacityLinear::electron_heat_capacity(fields,capacity);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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capacity *= density;
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};
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virtual void D_electron_heat_capacity(const FIELD_MATS &fields,
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const GRAD_FIELD_MATS &gradFields,
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DENS_MAT_VEC &Dcapacity)
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{
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ElectronHeatCapacityLinear::D_electron_heat_capacity(fields,gradFields,Dcapacity);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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Dcapacity[0] *= density;
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Dcapacity[1] *= density;
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Dcapacity[2] *= density;
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GRAD_FIELD_MATS::const_iterator dEdField = gradFields.find(ELECTRON_DENSITY);
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const DENS_MAT_VEC & Ddensity = dEdField->second;
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ElectronHeatCapacityLinear::electron_heat_capacity(fields,capacityWorkspace_);
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Dcapacity[0] += Ddensity[0].mult_by_element(capacityWorkspace_);
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Dcapacity[1] += Ddensity[1].mult_by_element(capacityWorkspace_);
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Dcapacity[2] += Ddensity[2].mult_by_element(capacityWorkspace_);
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}
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virtual void electron_thermal_energy(const FIELD_MATS &fields,
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DENS_MAT &energy)
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{
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ElectronHeatCapacityLinear::electron_thermal_energy(fields,energy);
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FIELD_MATS::const_iterator edField = fields.find(ELECTRON_DENSITY);
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const DENS_MAT & density = edField->second;
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energy *= density;
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};
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protected:
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Material * material_;
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DENS_MAT capacityWorkspace_; // avoid resizing if possible
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};
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}
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#endif
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