Material class that creates regular solution free energy with the expression builder and uses automatic differentiation to get the derivatives \( F = \frac14 \omega c(1 - c) + k_bT (c\log c + (1 - c)\log(1 - c))\). More...

#include <RegularSolutionFreeEnergy.h>

Inheritance diagram for RegularSolutionFreeEnergy:

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Public Types
typedef std::vector< EBTerm >	EBTermList

typedef std::vector< EBTermNode * >	EBTermNodeList

typedef std::vector< const EBSubstitutionRule * >	EBSubstitutionRuleList

Public Member Functions
	RegularSolutionFreeEnergy (const InputParameters &parameters)

	BINARYFUNC_OP_IMPLEMENT (+, ADD) BINARYFUNC_OP_IMPLEMENT(-

SUB BINARYFUNC_OP_IMPLEMENT MUL	BINARYFUNC_OP_IMPLEMENT (/, DIV) BINARYFUNC_OP_IMPLEMENT(%

SUB BINARYFUNC_OP_IMPLEMENT MUL MOD	BINARYFUNC_OP_IMPLEMENT (<, LESS) BINARYFUNC_OP_IMPLEMENT(>

SUB BINARYFUNC_OP_IMPLEMENT MUL MOD GREATER	BINARYFUNC_OP_IMPLEMENT (<=, LESSEQ) BINARYFUNC_OP_IMPLEMENT(>

SUB BINARYFUNC_OP_IMPLEMENT MUL MOD GREATER GREATEREQ	BINARYFUNC_OP_IMPLEMENT (==, EQ) BINARYFUNC_OP_IMPLEMENT(!

Protected Attributes
EBTerm	_c
	Coupled variable value for the concentration \( c \). More...

EBTerm	_T
	Coupled temperature variable \( T \). More...

const Real	_omega
	Prefactor. More...

const Real	_kB
	Boltzmann constant. More...

Detailed Description

Material class that creates regular solution free energy with the expression builder and uses automatic differentiation to get the derivatives \( F = \frac14 \omega c(1 - c) + k_bT (c\log c + (1 - c)\log(1 - c))\).

Definition at line 26 of file RegularSolutionFreeEnergy.h.

Member Typedef Documentation

◆ EBSubstitutionRuleList

typedef std::vector<const EBSubstitutionRule *> ExpressionBuilder::EBSubstitutionRuleList

inherited

Definition at line 59 of file ExpressionBuilder.h.

◆ EBTermList

typedef std::vector<EBTerm> ExpressionBuilder::EBTermList

inherited

Definition at line 56 of file ExpressionBuilder.h.

◆ EBTermNodeList

typedef std::vector<EBTermNode *> ExpressionBuilder::EBTermNodeList

inherited

Definition at line 58 of file ExpressionBuilder.h.

Constructor & Destructor Documentation

◆ RegularSolutionFreeEnergy()

RegularSolutionFreeEnergy::RegularSolutionFreeEnergy ( const InputParameters & parameters )

Definition at line 29 of file RegularSolutionFreeEnergy.C.

   : DerivativeParsedMaterialHelper(parameters),
     _c("c"),
     _T("T"),
     _omega(getParam<Real>("omega")),
     _kB(getParam<Real>("kB"))
 {
   EBFunction free_energy;
   // Definition of the free energy for the expression builder
   free_energy(_c) =
       _omega * _c * (1.0 - _c) + _kB * _T * (_c * log(_c) + (1.0 - _c) * log(1.0 - _c));
  
   // Use Taylor expanded logarithm?
   if (isParamValid("log_tol"))
     free_energy.substitute(EBLogPlogSubstitution(getParam<Real>("log_tol")));
  
   // Parse function for automatic differentiation
   functionParse(free_energy);
 }