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#ifndef MATERIAL_H
#define MATERIAL_H
#include <map>
#include <set>
#include <string>
#include "MatrixLibrary.h"
#include "ATC_TypeDefs.h"
#include "ATC_Error.h"
#include "LammpsInterface.h"
namespace ATC
{
class BodyForce;
class Stress;
class ViscousStress;
class ElectronChargeDensity;
class ElectronHeatCapacity;
class ElectronHeatFlux;
class ElectronFlux;
class ElectronPhononExchange;
class ElectronDragPower;
/**
* @class Material
* @brief Base class for computing and storing properties and fields for a material
*/
class Material
{
public:
Material();
virtual ~Material();
/** this constructor parses material file */
Material(std::string & tag, std::fstream & fileId);
/** initialize */
virtual void initialize();
/** return label */
std::string label(void) const {return tag_;}
/** check material has required interfaces */
bool check_registry(const std::set<std::string> functionList) const
{
std::set<std::string>::const_iterator itr;
for (itr=functionList.begin(); itr!=functionList.end(); itr++) {
if (registry_.find(*itr) == registry_.end()) {
std::stringstream ss;
ss << "WARNING: material: [" << tag_ << "] cannot find " << *itr ;
ATC::LammpsInterface::instance()->print_msg_once(ss.str());
}
if (registry_.find(*itr) == registry_.end()) return false;
}
return true;
}
/** access to material parameters */
bool parameter(const std::string name, double & value) const
{
std::map<std::string,double>::const_iterator iter = parameters_.find(name);
if ( iter == parameters_.end()) {
value = 0.0;
return false;
}
value = iter->second;
return true;
}
/** true if rhs flux is linear (per field) */
bool linear_flux(FieldName name) const {
return linearFlux_(name);
};
/** true if rhs source is linear (per field) */
bool linear_source(FieldName name) const {
return linearSource_(name);
};
/** true if lhs density is constant (per field) */
bool constant_density(FieldName name) const {
return constantDensity_(name);
};
/** each of these is a field function computed at a set of points */
/** if there is only one function it is in the base class
** otherwise, a subsidary class is setup */
/* -----------------------------------------------------------------*/
/** densities */
/* -----------------------------------------------------------------*/
/** thermal energy */
void thermal_energy(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** heat capacity */
void heat_capacity(const FIELD_MATS & fields,
DENS_MAT & capacity) const;
/** thermal energy */
void electron_thermal_energy(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** electron capacities */
void electron_mass_density(const FIELD_MATS &fields,
DENS_MAT &density) const;
void electron_heat_capacity(const FIELD_MATS &fields,
DENS_MAT &capacity) const;
/** derivative of electron heat capacity */
void D_electron_heat_capacity(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &Dcapacity) const;
/** kinetic energy */
void kinetic_energy(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** mass density */
void mass_density(const FIELD_MATS &fields,
DENS_MAT &density) const;
/** elastic energy */
void elastic_energy(const FIELD_MATS & fields,
const GRAD_FIELD_MATS & gradFields,
DENS_MAT & energy) const;
/** permitivity */
void permittivity(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** inverse effective mass */
void inv_effective_mass(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** band-edge potential */
void band_edge_potential(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/** viscosity */
void viscosity(const FIELD_MATS & fields,
DENS_MAT & energy) const;
/* -----------------------------------------------------------------*/
/** fluxes */
/* -----------------------------------------------------------------*/
/** heat_flux */
void heat_flux(const FIELD_MATS & fields,
const GRAD_FIELD_MATS & gradFields,
DENS_MAT_VEC & heatFlux) const;
/** electron conduction flux */
void electron_heat_flux(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &flux) const;
/** electron heat convection */
void electron_heat_convection(const FIELD_MATS &fields,
DENS_MAT_VEC &flux) const;
/** electron momentum convection */
void electron_momentum_convection(const FIELD_MATS &fields,
DENS_MAT_VEC &flux) const;
/** stress */
void stress(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &stress) const;
/** viscous stress */
void viscous_stress(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &viscousStress) const;
/** computes electron flux */
void electron_flux(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &flux) const;
void electron_thermal_stress(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &stress) const;
/** computes electric displacement */
void electric_displacement(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &flux) const;
/** computes electric field */
void electric_field(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT_VEC &flux) const;
/* -----------------------------------------------------------------*/
/** sources */
/* -----------------------------------------------------------------*/
/** electron-phonon exchange flux */
bool electron_phonon_exchange(const FIELD_MATS &fields,
DENS_MAT &flux) const;
bool electron_drag_power(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT &power) const;
void electron_drag_velocity_coefficient(const FIELD_MATS &fields,
DENS_MAT &dragCoef) const;
/** computes net generation */
virtual bool electron_recombination(const FIELD_MATS &fields,
const GRAD_FIELD_MATS &gradFields,
DENS_MAT &recombination) const;
/** computes drift diffusion charge density */
virtual bool electron_charge_density(const FIELD_MATS &fields,
DENS_MAT &density) const;
virtual void D_electron_charge_density(const FieldName fieldName,
const FIELD_MATS &fields,
DENS_MAT &D_density) const;
/** computes momentum source */
virtual bool body_force(const FIELD_MATS &fields,
DENS_MAT &density) const;
protected:
/** material's label */
std::string tag_;
/** dictionary of material parameters */
std::map<std::string,double> parameters_;
/** dictionary of instantiated functions */
std::set<std::string> registry_;
/** per eqn flag of constant density */
Array<bool> constantDensity_;
/** per eqn flag of linearity/nonlinearity */
Array<bool> linearFlux_, linearSource_;
/** default heat capacity */
double rhoCp_;
/** heat capacity */
double heatCapacity_;
/** electron heat capacity */
ElectronHeatCapacity * electronHeatCapacity_;
/** mass density */
double massDensity_;
/** thermal conductivity */
double heatConductivity_;
/** electron heat flux */
ElectronHeatFlux * electronHeatFlux_;
/** stress */
Stress * stress_;
/** viscous stress */
ViscousStress * viscousStress_;
/** body force */
BodyForce * bodyForce_;
/** electron-phonon exchange */
ElectronPhononExchange * electronPhononExchange_;
/** electron drag power */
ElectronDragPower * electronDragPower_;
/** electron flux */
ElectronFlux * electronFlux_;
/** electric permittivity */
double permittivity_;
/** inverse effective mass */
double invEffectiveMass_;
/** equilibrium carrier density */
double electronEquilibriumDensity_;
/** relaxation time */
double electronRecombinationInvTau_;
/** electron charge density model */
ElectronChargeDensity * electronChargeDensity_;
};
}
#endif // Material.h