Add (an)isotropic CahnHilliard kernels (idaholab#5596)

modules/phase_field/include/kernels/CahnHilliard.h

@@ -0,0 +1,25 @@
+/****************************************************************/
+/* MOOSE - Multiphysics Object Oriented Simulation Environment  */
+/*                                                              */
+/*          All contents are licensed under LGPL V2.1           */
+/*             See LICENSE for full restrictions                */
+/****************************************************************/
+#ifndef CAHNHILLIARD_H
+#define CAHNHILLIARD_H
+
+#include "CahnHilliardBase.h"
+
+/**
+ * SplitCHWRes creates the residual of the Cahn-Hilliard
+ * equation with a scalar (isotropic) mobility.
+ */
+class CahnHilliard : public CahnHilliardBase<Real>
+{
+public:
+  CahnHilliard(const InputParameters & parameters);
+};
+
+template<>
+InputParameters validParams<CahnHilliard>();
+
+#endif // CAHNHILLIARD_H

modules/phase_field/include/kernels/CahnHilliardAniso.h

@@ -0,0 +1,25 @@
+/****************************************************************/
+/* MOOSE - Multiphysics Object Oriented Simulation Environment  */
+/*                                                              */
+/*          All contents are licensed under LGPL V2.1           */
+/*             See LICENSE for full restrictions                */
+/****************************************************************/
+#ifndef CAHNHILLIARDANISO_H
+#define CAHNHILLIARDANISO_H
+
+#include "CahnHilliardBase.h"
+
+/**
+ * SplitCHWRes creates the residual of the Cahn-Hilliard
+ * equation with a scalar (isotropic) mobility.
+ */
+class CahnHilliardAniso : public CahnHilliardBase<RealTensorValue>
+{
+public:
+  CahnHilliardAniso(const InputParameters & parameters);
+};
+
+template<>
+InputParameters validParams<CahnHilliardAniso>();
+
+#endif // CAHNHILLIARDANISO_H

modules/phase_field/include/kernels/CahnHilliardBase.h

@@ -0,0 +1,123 @@
+/****************************************************************/
+/* MOOSE - Multiphysics Object Oriented Simulation Environment  */
+/*                                                              */
+/*          All contents are licensed under LGPL V2.1           */
+/*             See LICENSE for full restrictions                */
+/****************************************************************/
+#ifndef CAHNHILLIARDBASE_H
+#define CAHNHILLIARDBASE_H
+
+#include "CHBulk.h"
+
+/**
+ * CahnHilliardBase implements the residual of the Cahn-Hilliard
+ * equation in a general way that can be templated to a scalar or
+ * tensor mobility.
+ */
+template<typename T>
+class CahnHilliardBase : public CHBulk<T>
+{
+public:
+  CahnHilliardBase(const InputParameters & parameters);
+
+  static InputParameters validParams();
+
+protected:
+  typedef typename CHBulk<T>::PFFunctionType PFFunctionType;
+  virtual RealGradient computeGradDFDCons(PFFunctionType type);
+  virtual Real computeQpOffDiagJacobian(unsigned int jvar);
+
+private:
+  const unsigned int _nvar;
+  std::vector<const MaterialProperty<Real>* > _second_derivatives;
+  std::vector<const MaterialProperty<Real>* > _third_derivatives;
+  std::vector<std::vector<const MaterialProperty<Real>* > > _third_cross_derivatives;
+  std::vector<VariableGradient *> _grad_vars;
+};
+
+template<typename T>
+InputParameters
+CahnHilliardBase<T>::validParams()
+{
+  InputParameters params = CHBulk<Real>::validParams();
+  params.addClassDescription("Cahn-Hilliard Kernel that uses a DerivativeMaterial Free Energy");
+  params.addRequiredParam<MaterialPropertyName>("f_name", "Base name of the free energy function F defined in a DerivativeParsedMaterial");
+  return params;
+}
+
+template<typename T>
+CahnHilliardBase<T>::CahnHilliardBase(const InputParameters & parameters) :
+    CHBulk<T>(parameters),
+    _nvar(this->_coupled_moose_vars.size()),
+    _second_derivatives(_nvar+1),
+    _third_derivatives(_nvar+1),
+    _third_cross_derivatives(_nvar),
+    _grad_vars(_nvar+1)
+{
+  // derivatives w.r.t. and gradients of the kernel variable
+  _second_derivatives[0] = &this->template getMaterialPropertyDerivative<Real>("f_name", this->_var.name(), this->_var.name());
+  _third_derivatives[0]  = &this->template getMaterialPropertyDerivative<Real>("f_name", this->_var.name(), this->_var.name(), this->_var.name());
+  _grad_vars[0] = &(this->_grad_u);
+
+  // Iterate over all coupled variables
+  for (unsigned int i = 0; i < _nvar; ++i)
+  {
+    VariableName iname = this->_coupled_moose_vars[i]->name();
+    _second_derivatives[i+1] = &this->template getMaterialPropertyDerivative<Real>("f_name", this->_var.name(), iname);
+    _third_derivatives[i+1]  = &this->template getMaterialPropertyDerivative<Real>("f_name", this->_var.name(), this->_var.name(), iname);
+
+    _third_cross_derivatives[i].resize(_nvar);
+    for (unsigned int j = 0; j < _nvar; ++j)
+    {
+      VariableName jname = this->_coupled_moose_vars[j]->name();
+      _third_cross_derivatives[i][j] = &this->template getMaterialPropertyDerivative<Real>("f_name", this->_var.name(), iname, jname);
+    }
+
+    _grad_vars[i+1] = &(this->_coupled_moose_vars[i]->gradSln());
+  }
+}
+
+template<typename T>
+RealGradient
+CahnHilliardBase<T>::computeGradDFDCons(PFFunctionType type)
+{
+  RealGradient res = 0.0;
+  unsigned int & qp = this->_qp;
+
+  switch (type)
+  {
+    case CHBulk<T>::Residual:
+      for (unsigned int i = 0; i <= _nvar; ++i)
+        res += (*_grad_vars[i])[qp] * (*_second_derivatives[i])[qp];
+      return res;
+
+    case CHBulk<T>::Jacobian:
+      res = this->_grad_phi[this->_j][qp] * (*_second_derivatives[0])[qp];
+      for (unsigned int i = 0; i <= _nvar; ++i)
+        res += this->_phi[this->_j][qp] * (*_grad_vars[i])[qp] * (*_third_derivatives[i])[qp];
+      return res;
+  }
+
+  mooseError("Internal error");
+}
+
+template<typename T>
+Real
+CahnHilliardBase<T>::computeQpOffDiagJacobian(unsigned int jvar)
+{
+  // get the coupled variable jvar is referring to
+  unsigned int cvar;
+  if (!this->mapJvarToCvar(jvar, cvar))
+    return 0.0;
+
+  unsigned int & qp = this->_qp;
+  RealGradient J =   this->_grad_u[qp] * this->_phi[this->_j][qp] * (*_third_derivatives[cvar+1])[qp]
+                   + this->_grad_phi[this->_j][qp] * (*_second_derivatives[cvar+1])[qp];
+
+  for (unsigned int i = 0; i < _nvar; ++i)
+    J += this->_phi[this->_j][qp] * (*_grad_vars[i+1])[qp] * (*_third_cross_derivatives[i][cvar])[qp];
+
+  return CHBulk<T>::computeQpOffDiagJacobian(jvar) + this->_M[qp] * this->_grad_test[this->_i][qp] * J;
+}
+
+#endif // CAHNHILLIARDBASE_H

modules/phase_field/src/base/PhaseFieldApp.C

@@ -17,11 +17,12 @@
 #include "ACInterface.h"
 #include "ACMultiInterface.h"
 #include "ACParsed.h"
+#include "CahnHilliard.h"
+#include "CahnHilliardAniso.h"
 #include "CHBulkPFCTrad.h"
 #include "CHCpldPFCTrad.h"
 #include "CHInterface.h"
 #include "CHMath.h"
-#include "CHParsed.h"
 #include "CHPFCRFF.h"
 #include "CHSplitVar.h"
 #include "ConservedLangevinNoise.h"
@@ -221,11 +222,12 @@ PhaseFieldApp::registerObjects(Factory & factory)
   registerKernel(ACInterface);
   registerKernel(ACMultiInterface);
   registerKernel(ACParsed);
+  registerKernel(CahnHilliard);
+  registerKernel(CahnHilliardAniso);
   registerKernel(CHBulkPFCTrad);
   registerKernel(CHCpldPFCTrad);
   registerKernel(CHInterface);
   registerKernel(CHMath);
-  registerKernel(CHParsed);
   registerKernel(CHPFCRFF);
   registerKernel(CHSplitVar);
   registerKernel(ConservedLangevinNoise);
@@ -252,6 +254,7 @@ PhaseFieldApp::registerObjects(Factory & factory)
   registerKernel(SwitchingFunctionConstraintEta);
   registerKernel(SwitchingFunctionConstraintLagrange);
   registerKernel(SwitchingFunctionPenalty);
+  registerDeprecatedObjectName(CahnHilliard, "CHParsed", "11/01/2015 00:00");
   registerDeprecatedObjectName(CoupledTimeDerivative, "CoupledImplicitEuler", "09/01/2015 00:00");
 
   registerInitialCondition(ClosePackIC);

modules/phase_field/src/kernels/CahnHilliard.C

@@ -0,0 +1,20 @@
+/****************************************************************/
+/* MOOSE - Multiphysics Object Oriented Simulation Environment  */
+/*                                                              */
+/*          All contents are licensed under LGPL V2.1           */
+/*             See LICENSE for full restrictions                */
+/****************************************************************/
+#include "CahnHilliard.h"
+
+template<>
+InputParameters validParams<CahnHilliard>()
+{
+  InputParameters params = CahnHilliardBase<Real>::validParams();
+  params.addClassDescription("Cahn-Hilliard Kernel that uses a DerivativeMaterial Free Energy and a scalar (isotropic) mobility");
+  return params;
+}
+
+CahnHilliard::CahnHilliard(const InputParameters & parameters) :
+    CahnHilliardBase<Real>(parameters)
+{
+}

modules/phase_field/src/kernels/CahnHilliardAniso.C

@@ -0,0 +1,20 @@
+/****************************************************************/
+/* MOOSE - Multiphysics Object Oriented Simulation Environment  */
+/*                                                              */
+/*          All contents are licensed under LGPL V2.1           */
+/*             See LICENSE for full restrictions                */
+/****************************************************************/
+#include "CahnHilliardAniso.h"
+
+template<>
+InputParameters validParams<CahnHilliardAniso>()
+{
+  InputParameters params = CahnHilliardBase<RealTensorValue>::validParams();
+  params.addClassDescription("Cahn-Hilliard Kernel that uses a DerivativeMaterial Free Energy and a tensor (anisotropic) mobility");
+  return params;
+}
+
+CahnHilliardAniso::CahnHilliardAniso(const InputParameters & parameters) :
+    CahnHilliardBase<RealTensorValue>(parameters)
+{
+}