forked from lijiext/lammps
120 lines
3.5 KiB
C++
120 lines
3.5 KiB
C++
#include "Material.h"
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#include "ElectronPhononExchange.h"
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#include "ATC_Error.h"
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#include "LammpsInterface.h"
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#include <iostream>
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#include <vector>
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#include <math.h>
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using ATC_Utility::command_line;
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using ATC_Utility::str2dbl;
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using ATC_Utility::str2int;
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using std::fstream;
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using std::map;
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using std::string;
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using std::vector;
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namespace ATC {
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ElectronPhononExchangeLinear::ElectronPhononExchangeLinear(
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fstream &fileId, map<string,double> & parameters)
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: ElectronPhononExchange(),
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exchangeCoef_(0)
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{
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if (!fileId.is_open()) throw ATC_Error("cannot open material file");
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vector<string> line;
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while(fileId.good()) {
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command_line(fileId, line);
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if (line.size() == 0) continue;
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if (line[0] == "end") return;
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else if (line[0] == "coefficient") {
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exchangeCoef_ = str2dbl(line[1]);
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parameters["electron_phonon_exchange_coefficient"] = exchangeCoef_;
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}
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else {
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throw ATC_Error( "unrecognized material function "+line[0]);
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}
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}
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}
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ElectronPhononExchangePowerLaw::ElectronPhononExchangePowerLaw(
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fstream &fileId, map<string,double> & parameters)
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: ElectronPhononExchange(),
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exchangeCoef_(0),
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exponent_(1)
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{
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if (!fileId.is_open()) throw ATC_Error("cannot open material file");
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vector<string> line;
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while(fileId.good()) {
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command_line(fileId, line);
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if (line.size() == 0) continue;
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if (line[0] == "end") return;
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else if (line[0] == "coefficient") {
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exchangeCoef_ = str2dbl(line[1]);
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parameters["electron_phonon_exchange_coefficient"] = exchangeCoef_;
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}
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else if (line[0] == "exponent") {
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exponent_ = str2int(line[1]);
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}
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else {
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throw ATC_Error( "unrecognized material function "+line[0]);
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}
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}
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}
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ElectronPhononExchangeHertel::ElectronPhononExchangeHertel(fstream &fileId,
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map<string,double> & parameters,
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Material * material)
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: ElectronPhononExchange(),
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exchangeCoef_(0),
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debeyeTemperature_(1),
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massEnhancement_(0),
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material_(material)
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{
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if (!fileId.is_open()) throw ATC_Error("cannot open material file");
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vector<string> line;
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while(fileId.good()) {
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command_line(fileId, line);
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if (line.size() == 0) continue;
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if (line[0] == "end") break;
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else if (line[0] == "debeye_temperature") {
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debeyeTemperature_ = str2dbl(line[1]);
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parameters["debeye_temperature"] = debeyeTemperature_;
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}
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else if (line[0] == "mass_enhancement") {
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massEnhancement_ = str2dbl(line[1]);
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parameters["mass_enhancement"] = massEnhancement_;
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}
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else {
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throw ATC_Error( "unrecognized material function "+line[0]);
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}
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}
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// coupling coefficient, eqn. 15 of Hertel 2002
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double kb = LammpsInterface::instance()->kBoltzmann();
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double hbar = LammpsInterface::instance()->hbar();
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double PI = 3.141592653589793238;
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exchangeCoef_ = 144.*1.0369*kb/(PI*hbar);
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exchangeCoef_ *= massEnhancement_/pow(debeyeTemperature_,2);
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}
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bool ElectronPhononExchangeHertel::electron_phonon_exchange(const FIELD_MATS &fields,
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DENS_MAT &flux)
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{
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FIELD_MATS::const_iterator tField = fields.find(TEMPERATURE);
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FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
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const DENS_MAT & T = tField->second;
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const DENS_MAT & Te = etField->second;
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// flux = g C_e (T_e - T_p)^5 / T_e
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flux = (Te - T).pow(5);
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flux /= Te;
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flux *= exchangeCoef_;
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material_->electron_heat_capacity(fields,capacityWorkspace_);
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flux*= capacityWorkspace_;
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return true;
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}
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}
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