Line data    Source code

       1             : //* This file is part of the MOOSE framework
       2             : //* https://mooseframework.inl.gov
       3             : //*
       4             : //* All rights reserved, see COPYRIGHT for full restrictions
       5             : //* https://github.com/idaholab/moose/blob/master/COPYRIGHT
       6             : //*
       7             : //* Licensed under LGPL 2.1, please see LICENSE for details
       8             : //* https://www.gnu.org/licenses/lgpl-2.1.html
       9             : 
      10             : #include "SLKKSPhaseConcentration.h"
      11             : 
      12             : registerMooseObject("PhaseFieldApp", SLKKSPhaseConcentration);
      13             : 
      14             : InputParameters
      15           0 : SLKKSPhaseConcentration::validParams()
      16             : {
      17           0 :   auto params = Kernel::validParams();
      18           0 :   params.addClassDescription(
      19             :       "Sublattice KKS model kernel to enforce the decomposition of concentration into "
      20             :       "phase and sublattice concentrations The non-linear variable of this kernel is a sublattice "
      21             :       "concentration of phase b.");
      22           0 :   params.addRequiredCoupledVar("ca", "Phase a sublattice concentrations");
      23           0 :   params.addRequiredParam<std::vector<Real>>("aa", "Phase a sublattice site fraction");
      24           0 :   params.addRequiredCoupledVar(
      25             :       "cb", "Phase b sublattice concentrations (except for the kernel variable)");
      26           0 :   params.addRequiredParam<std::vector<Real>>("ab", "Phase b sublattice site fraction");
      27           0 :   params.addRequiredParam<Real>("a",
      28             :                                 "Sublattice site fraction for the kernel variable (in phase b)");
      29           0 :   params.addRequiredCoupledVar("c", "Global concentration");
      30           0 :   params.addRequiredCoupledVar("eta", "Phase a/b order parameter");
      31           0 :   params.addParam<MaterialPropertyName>(
      32             :       "h_name", "h", "Base name for the switching function h(eta)");
      33           0 :   return params;
      34           0 : }
      35             : 
      36             : // Phase interpolation func
      37           0 : SLKKSPhaseConcentration::SLKKSPhaseConcentration(const InputParameters & parameters)
      38             :   : DerivativeMaterialInterface<JvarMapKernelInterface<Kernel>>(parameters),
      39           0 :     _nca(coupledComponents("ca")),
      40           0 :     _ca(_nca),
      41           0 :     _a_ca(getParam<std::vector<Real>>("aa")),
      42           0 :     _ca_map(getParameterJvarMap("ca")),
      43           0 :     _ncb(coupledComponents("cb")),
      44           0 :     _cb(_ncb),
      45           0 :     _a_cb(getParam<std::vector<Real>>("ab")),
      46           0 :     _cb_map(getParameterJvarMap("cb")),
      47           0 :     _a_u(getParam<Real>("a")),
      48           0 :     _c(coupledValue("c")),
      49           0 :     _c_var(coupled("c")),
      50           0 :     _eta(coupledValue("eta")),
      51           0 :     _eta_var(coupled("eta")),
      52           0 :     _prop_h(getMaterialProperty<Real>("h_name")),
      53           0 :     _prop_dh(getMaterialPropertyDerivative<Real>("h_name", coupledName("eta", 0)))
      54             : {
      55           0 :   if (_a_ca.size() != _nca)
      56           0 :     paramError("aa", "Specify one sublattice site fraction per sublattice concentration variable");
      57           0 :   if (_a_cb.size() != _ncb)
      58           0 :     paramError("ab", "Specify one sublattice site fraction per sublattice concentration variable");
      59             : 
      60             :   // check and re-normalize sublattice A site fractions
      61             :   Real sum = 0.0;
      62           0 :   for (std::size_t i = 0; i < _nca; ++i)
      63           0 :     sum += _a_ca[i];
      64           0 :   if (sum <= 0.0)
      65           0 :     paramError("aa", "The sum of the aa values must be greater than zero");
      66           0 :   for (std::size_t i = 0; i < _nca; ++i)
      67           0 :     _a_ca[i] /= sum;
      68             : 
      69             :   // check and re-normalize sublattice B site fractions
      70           0 :   sum = _a_u;
      71           0 :   for (std::size_t i = 0; i < _ncb; ++i)
      72           0 :     sum += _a_cb[i];
      73           0 :   if (sum <= 0.0)
      74           0 :     paramError("ab", "The sum of the ab values and k must be greater than zero");
      75           0 :   for (std::size_t i = 0; i < _ncb; ++i)
      76           0 :     _a_cb[i] /= sum;
      77           0 :   _a_u /= sum;
      78             : 
      79             :   // fetch coupled concentrations
      80           0 :   for (std::size_t i = 0; i < _nca; ++i)
      81           0 :     _ca[i] = &coupledValue("ca", i);
      82           0 :   for (std::size_t i = 0; i < _ncb; ++i)
      83           0 :     _cb[i] = &coupledValue("cb", i);
      84           0 : }
      85             : 
      86             : Real
      87           0 : SLKKSPhaseConcentration::computeQpResidual()
      88             : {
      89           0 :   computeSums();
      90           0 :   return _test[_i][_qp] * ((1.0 - _prop_h[_qp]) * _casum + _prop_h[_qp] * _cbsum - _c[_qp]);
      91             : }
      92             : 
      93             : Real
      94           0 : SLKKSPhaseConcentration::computeQpJacobian()
      95             : {
      96           0 :   return _test[_i][_qp] * _prop_h[_qp] * _phi[_j][_qp] * _a_u;
      97             : }
      98             : 
      99             : Real
     100           0 : SLKKSPhaseConcentration::computeQpOffDiagJacobian(unsigned int jvar)
     101             : {
     102           0 :   if (jvar == _c_var)
     103           0 :     return -_test[_i][_qp] * _phi[_j][_qp];
     104             : 
     105           0 :   if (jvar == _eta_var)
     106             :   {
     107           0 :     computeSums();
     108           0 :     return _test[_i][_qp] * (_cbsum - _casum) * _prop_dh[_qp] * _phi[_j][_qp];
     109             :   }
     110             : 
     111           0 :   auto cavar = mapJvarToCvar(jvar, _ca_map);
     112           0 :   if (cavar >= 0)
     113           0 :     return _test[_i][_qp] * (1.0 - _prop_h[_qp]) * _phi[_j][_qp] * _a_ca[cavar];
     114             : 
     115           0 :   auto cbvar = mapJvarToCvar(jvar, _cb_map);
     116           0 :   if (cbvar >= 0)
     117           0 :     return _test[_i][_qp] * _prop_h[_qp] * _phi[_j][_qp] * _a_cb[cbvar];
     118             : 
     119             :   return 0.0;
     120             : }
     121             : 
     122             : void
     123           0 : SLKKSPhaseConcentration::computeSums()
     124             : {
     125           0 :   _casum = 0.0;
     126           0 :   for (std::size_t i = 0; i < _nca; ++i)
     127           0 :     _casum += (*_ca[i])[_qp] * _a_ca[i];
     128             : 
     129           0 :   _cbsum = _u[_qp] * _a_u;
     130           0 :   for (std::size_t i = 0; i < _ncb; ++i)
     131           0 :     _cbsum += (*_cb[i])[_qp] * _a_cb[i];
     132           0 : }