QCAD_PoissonNeumann.hpp

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//*****************************************************************//
//    Albany 2.0:  Copyright 2012 Sandia Corporation               //
//    This Software is released under the BSD license detailed     //
//    in the file "license.txt" in the top-level Albany directory  //
//*****************************************************************//

#ifndef QCAD_POISSONNEUMANN_HPP
#define QCAD_POISSONNEUMANN_HPP

#include "Phalanx_ConfigDefs.hpp"
#include "Phalanx_Evaluator_WithBaseImpl.hpp"
#include "Phalanx_Evaluator_Derived.hpp"
#include "Phalanx_MDField.hpp"

#include "Teuchos_ParameterList.hpp"
#include "Epetra_Vector.h"

#include "Sacado_ParameterAccessor.hpp"
#include "PHAL_AlbanyTraits.hpp"
#include "PHAL_Neumann.hpp"

#include "QCAD_MaterialDatabase.hpp"

namespace QCAD {

template<typename EvalT, typename Traits>
class PoissonNeumann
  : public PHAL::Neumann<EvalT, Traits> {

public:
  typedef typename EvalT::ScalarT ScalarT;

  PoissonNeumann(Teuchos::ParameterList& p);
  void evaluateFields(typename Traits::EvalData d);
  virtual ScalarT& getValue(const std::string &n);

protected:

  ScalarT inverseFDIntOneHalf(const ScalarT x);

  ScalarT potentialForMBComplIon(const ScalarT &Nc, const ScalarT &Nv, 
         const ScalarT &Eg, const double &Chi,
         const std::string &dopType, const double &dopingConc);

  ScalarT potentialForMBIncomplIon(const ScalarT &Nc, const ScalarT &Nv, 
           const ScalarT &Eg, const double &Chi, 
           const std::string &dopType, const double &dopingConc, const double &dopantActE);

  ScalarT potentialForFDComplIon(const ScalarT &Nc, const ScalarT &Nv, 
         const ScalarT &Eg, const double &Chi, 
         const std::string &dopType, const double &dopingConc);

  ScalarT potentialForZeroKFDComplIon(const ScalarT &Nc, const ScalarT &Nv, 
              const ScalarT &Eg, const double &Chi, 
              const std::string &dopType, const double &dopingConc);


private:
  ScalarT user_value;    // value entered by user, distinguished from actual DBC value

  std::string material;
  std::string ebName;
  std::string carrierStatistics;
  std::string incompIonization;
  
  double dopingDonor;   // in [cm-3]
  double dopingAcceptor;
  double donorActE;     // (Ec-Ed) where Ed = donor energy level, [eV]
  double acceptorActE;  // (Ea-Ev) where Ea = acceptor energy level, [eV]

  ScalarT temperature;  // [K]
  
  // Since kbT, V0, and qPhiRef are used in all member functions, define them as member variables
  ScalarT kbT;  // [eV]
  ScalarT V0;   // [V]
  ScalarT qPhiRef; 

  double energy_unit_in_eV; // to convert eV -> unit of solution (Phi)
  
  Teuchos::RCP<QCAD::MaterialDatabase> materialDB;
};

}

#endif