Page Menu
Home
c4science
Search
Configure Global Search
Log In
Files
F85156046
ElectronPhononExchange.cpp
No One
Temporary
Actions
Download File
Edit File
Delete File
View Transforms
Subscribe
Mute Notifications
Award Token
Subscribers
None
File Metadata
Details
File Info
Storage
Attached
Created
Fri, Sep 27, 04:08
Size
3 KB
Mime Type
text/x-c
Expires
Sun, Sep 29, 04:08 (1 d, 23 h)
Engine
blob
Format
Raw Data
Handle
21084000
Attached To
rLAMMPS lammps
ElectronPhononExchange.cpp
View Options
#include "Material.h"
#include "ElectronPhononExchange.h"
#include "ATC_Error.h"
#include "LammpsInterface.h"
#include <iostream>
#include <vector>
#include <math.h>
using ATC_Utility::command_line;
using ATC_Utility::str2dbl;
using ATC_Utility::str2int;
using std::fstream;
using std::map;
using std::string;
using std::vector;
namespace ATC {
ElectronPhononExchangeLinear::ElectronPhononExchangeLinear(
fstream &fileId, map<string,double> & parameters)
: ElectronPhononExchange(),
exchangeCoef_(0)
{
if (!fileId.is_open()) throw ATC_Error("cannot open material file");
vector<string> line;
while(fileId.good()) {
command_line(fileId, line);
if (line.size() == 0) continue;
if (line[0] == "end") return;
else if (line[0] == "coefficient") {
exchangeCoef_ = str2dbl(line[1]);
parameters["electron_phonon_exchange_coefficient"] = exchangeCoef_;
}
else {
throw ATC_Error( "unrecognized material function "+line[0]);
}
}
}
ElectronPhononExchangePowerLaw::ElectronPhononExchangePowerLaw(
fstream &fileId, map<string,double> & parameters)
: ElectronPhononExchange(),
exchangeCoef_(0),
exponent_(1)
{
if (!fileId.is_open()) throw ATC_Error("cannot open material file");
vector<string> line;
while(fileId.good()) {
command_line(fileId, line);
if (line.size() == 0) continue;
if (line[0] == "end") return;
else if (line[0] == "coefficient") {
exchangeCoef_ = str2dbl(line[1]);
parameters["electron_phonon_exchange_coefficient"] = exchangeCoef_;
}
else if (line[0] == "exponent") {
exponent_ = str2int(line[1]);
}
else {
throw ATC_Error( "unrecognized material function "+line[0]);
}
}
}
ElectronPhononExchangeHertel::ElectronPhononExchangeHertel(fstream &fileId,
map<string,double> & parameters,
Material * material)
: ElectronPhononExchange(),
exchangeCoef_(0),
debeyeTemperature_(1),
massEnhancement_(0),
material_(material)
{
if (!fileId.is_open()) throw ATC_Error("cannot open material file");
vector<string> line;
while(fileId.good()) {
command_line(fileId, line);
if (line.size() == 0) continue;
if (line[0] == "end") break;
else if (line[0] == "debeye_temperature") {
debeyeTemperature_ = str2dbl(line[1]);
parameters["debeye_temperature"] = debeyeTemperature_;
}
else if (line[0] == "mass_enhancement") {
massEnhancement_ = str2dbl(line[1]);
parameters["mass_enhancement"] = massEnhancement_;
}
else {
throw ATC_Error( "unrecognized material function "+line[0]);
}
}
// coupling coefficient, eqn. 15 of Hertel 2002
double kb = LammpsInterface::instance()->kBoltzmann();
double hbar = LammpsInterface::instance()->hbar();
double PI = 3.141592653589793238;
exchangeCoef_ = 144.*1.0369*kb/(PI*hbar);
exchangeCoef_ *= massEnhancement_/pow(debeyeTemperature_,2);
}
bool ElectronPhononExchangeHertel::electron_phonon_exchange(const FIELD_MATS &fields,
DENS_MAT &flux)
{
FIELD_MATS::const_iterator tField = fields.find(TEMPERATURE);
FIELD_MATS::const_iterator etField = fields.find(ELECTRON_TEMPERATURE);
const DENS_MAT & T = tField->second;
const DENS_MAT & Te = etField->second;
// flux = g C_e (T_e - T_p)^5 / T_e
flux = (Te - T).pow(5);
flux /= Te;
flux *= exchangeCoef_;
material_->electron_heat_capacity(fields,capacityWorkspace_);
flux*= capacityWorkspace_;
return true;
}
}
Event Timeline
Log In to Comment