Line data    Source code

       1             : /**********************************************************************/
       2             : /*                     DO NOT MODIFY THIS HEADER                      */
       3             : /* MAGPIE - Mesoscale Atomistic Glue Program for Integrated Execution */
       4             : /*                                                                    */
       5             : /*            Copyright 2017 Battelle Energy Alliance, LLC            */
       6             : /*                        ALL RIGHTS RESERVED                         */
       7             : /**********************************************************************/
       8             : 
       9             : #include "PolarPFMInterfaceIC.h"
      10             : #include "FEProblemBase.h"
      11             : #include "libmesh/utility.h"
      12             : 
      13             : registerMooseObject("MagpieApp", PolarPFMInterfaceIC);
      14             : 
      15             : InputParameters
      16           9 : PolarPFMInterfaceIC::validParams()
      17             : {
      18           9 :   InputParameters params = InitialCondition::validParams();
      19           9 :   params.addClassDescription("Upsilon IC, eq. (50) from Physical Review B 89, 184102 (2014)");
      20          18 :   params.addRequiredCoupledVar("theta", "Theta order parameter");
      21          18 :   params.addRequiredParam<Real>("a_beta", "Interpolation coefficient a_beta");
      22          18 :   params.addRequiredParam<Real>("beta10", "Gradient energy coefficient between solid 1 and melt");
      23          18 :   params.addRequiredParam<Real>("beta20", "Gradient energy coefficient between solid 2 and melt");
      24          18 :   params.addParam<Real>("p", 1.0, "Interface parameter");
      25           9 :   return params;
      26           0 : }
      27             : 
      28           5 : PolarPFMInterfaceIC::PolarPFMInterfaceIC(const InputParameters & parameters)
      29             :   : InitialCondition(parameters),
      30           5 :     _theta(coupledValue("theta")),
      31          10 :     _a_beta(getParam<Real>("a_beta")),
      32          10 :     _beta10(getParam<Real>("beta10")),
      33          10 :     _beta20(getParam<Real>("beta20")),
      34          10 :     _p(getParam<Real>("p")),
      35           5 :     _xmin(_fe_problem.mesh().getMinInDimension(0)),
      36          10 :     _xmax(_fe_problem.mesh().getMaxInDimension(0))
      37             : {
      38           5 : }
      39             : 
      40             : Real
      41        1200 : PolarPFMInterfaceIC::value(const Point & r)
      42             : {
      43             :   /// switching function
      44        1200 :   const Real q = _a_beta * Utility::pow<2>(_theta[_qp]) -
      45        1200 :                  2.0 * (_a_beta - 2.0) * Utility::pow<3>(_theta[_qp]) +
      46        1200 :                  (_a_beta - 3.0) * Utility::pow<4>(_theta[_qp]);
      47             : 
      48             :   // solid-melt gradient energy coefficient (7)
      49        1200 :   const Real betaS0 = _beta10 + (_beta20 - _beta10) * q;
      50             : 
      51             :   // sample width and position
      52        1200 :   const Real W = _xmax - _xmin;
      53        1200 :   const Real x = r(0) - _xmin;
      54             : 
      55        1200 :   const Real ds0 = _p * sqrt(betaS0);
      56        1200 :   return 1.0 - 1.0 / (1.0 + std::exp(-_p / ds0 * (x - W / 4.0))) +
      57        1200 :          1.0 / (1.0 + std::exp(-_p / ds0 * (x - 3 * W / 4.0)));
      58             : }