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 "MaskedExponential.h"
      11             : 
      12             : registerMooseObject("PhaseFieldApp", MaskedExponential);
      13             : 
      14             : InputParameters
      15          46 : MaskedExponential::validParams()
      16             : {
      17          46 :   InputParameters params = Kernel::validParams();
      18          92 :   params.addRequiredCoupledVar("w", "Chemical potential for the defect species");
      19          92 :   params.addRequiredCoupledVar("T", "Temperature");
      20          46 :   params.addClassDescription(
      21             :       "Kernel to add dilute solution term to Poisson's equation for electrochemical sintering");
      22          92 :   params.addParam<MaterialPropertyName>(
      23             :       "mask", "hm", "Mask function that specifies where this kernel is active");
      24          92 :   params.addRequiredParam<MaterialPropertyName>("n_eq", "Equilibrium defect concentration");
      25          92 :   params.addRequiredParam<int>("species_charge", "Charge of species this kernel is being used for");
      26          92 :   params.addCoupledVar("args", "Vector of nonlinear variable arguments this object depends on");
      27          92 :   params.deprecateCoupledVar("args", "coupled_variables", "02/27/2024");
      28          46 :   return params;
      29           0 : }
      30             : 
      31          24 : MaskedExponential::MaskedExponential(const InputParameters & parameters)
      32             :   : DerivativeMaterialInterface<JvarMapKernelInterface<Kernel>>(parameters),
      33          24 :     _w_var(coupled("w")),
      34          24 :     _w(coupledValue("w")),
      35          24 :     _temp_name(coupledName("T", 0)),
      36          24 :     _temp_var(coupled("T")),
      37          24 :     _temp(coupledValue("T")),
      38          48 :     _mask(getMaterialProperty<Real>("mask")),
      39          24 :     _prop_dmaskdarg(_n_args),
      40          48 :     _n_eq(getMaterialProperty<Real>("n_eq")),
      41          24 :     _prop_dn_eqdT(getMaterialPropertyDerivative<Real>("n_eq", _temp_name)),
      42          24 :     _prop_dn_eqdarg(_n_args),
      43          48 :     _z(getParam<int>("species_charge")),
      44          24 :     _kB(8.617343e-5), // eV/K
      45          24 :     _e(1.0)           // To put energy units in eV
      46             : {
      47             :   // Get derivatives of mask and equilibrium defect concentration
      48         144 :   for (unsigned int i = 0; i < _n_args; ++i)
      49             :   {
      50         120 :     _prop_dmaskdarg[i] = &getMaterialPropertyDerivative<Real>("mask", i);
      51         120 :     _prop_dn_eqdarg[i] = &getMaterialPropertyDerivative<Real>("n_eq", i);
      52             :   }
      53          24 : }
      54             : 
      55             : void
      56          24 : MaskedExponential::initialSetup()
      57             : {
      58          72 :   validateNonlinearCoupling<Real>("mask");
      59          48 :   validateNonlinearCoupling<Real>("n_eq");
      60          24 : }
      61             : 
      62             : Real
      63      684800 : MaskedExponential::computeQpResidual()
      64             : {
      65      684800 :   return _mask[_qp] * _z * _e * _n_eq[_qp] * _test[_i][_qp] *
      66      684800 :          std::exp((_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp]);
      67             : }
      68             : 
      69             : Real
      70      460800 : MaskedExponential::computeQpJacobian()
      71             : {
      72      460800 :   return -_mask[_qp] * _z * _z * _e * _e / _kB / _temp[_qp] * _n_eq[_qp] * _test[_i][_qp] *
      73      460800 :          _phi[_j][_qp] * std::exp((_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp]);
      74             : }
      75             : 
      76             : Real
      77     1433600 : MaskedExponential::computeQpOffDiagJacobian(unsigned int jvar)
      78             : {
      79             :   // Handle chemical potential explicitly since it appears in the residual
      80     1433600 :   if (jvar == _w_var)
      81      358400 :     return _mask[_qp] * _z * _e * _n_eq[_qp] / _kB / _temp[_qp] *
      82      358400 :            std::exp((_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp]) * _phi[_j][_qp] *
      83      358400 :            _test[_i][_qp];
      84             : 
      85             :   // Handle temperature explicitly since it appears in the residual
      86     1075200 :   if (jvar == _temp_var)
      87           0 :     return _mask[_qp] * _z * _e * std::exp((_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp]) *
      88           0 :            (_prop_dn_eqdT[_qp] -
      89           0 :             _n_eq[_qp] * (_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp] / _temp[_qp]) *
      90           0 :            _phi[_j][_qp] * _test[_i][_qp];
      91             : 
      92             :   // General expression for remaining variable dependencies that don't appear in the residual
      93             :   //  for all other vars get the coupled variable jvar is referring to
      94             :   const unsigned int cvar = mapJvarToCvar(jvar);
      95             : 
      96     1075200 :   return _z * _e * std::exp((_w[_qp] - _z * _e * _u[_qp]) / _kB / _temp[_qp]) *
      97     1075200 :          ((*_prop_dmaskdarg[cvar])[_qp] + (*_prop_dn_eqdarg[cvar])[_qp]) * _test[_i][_qp] *
      98     1075200 :          _phi[_j][_qp];
      99             : }