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 "GBWidthAnisotropy.h"
      11             : 
      12             : registerMooseObject("PhaseFieldApp", GBWidthAnisotropy);
      13             : 
      14             : InputParameters
      15          47 : GBWidthAnisotropy::validParams()
      16             : {
      17          47 :   InputParameters params = GBAnisotropyBase::validParams();
      18          47 :   params.addClassDescription(
      19             :       "A material to compute anisotropic grain boundary energies and mobilities with "
      20             :       "user-specified grain boundary widths, independently for each interface between grains");
      21          94 :   params.addRequiredParam<Real>("mu", "Prefactor of bulk free energy");
      22          94 :   params.addRequiredParam<Real>("kappa",
      23             :                                 "Prefactor of gradient free energies for all i-j interfaces");
      24          47 :   return params;
      25           0 : }
      26             : 
      27          36 : GBWidthAnisotropy::GBWidthAnisotropy(const InputParameters & parameters)
      28         108 :   : GBAnisotropyBase(parameters), _mu(getParam<Real>("mu")), _kappa(getParam<Real>("kappa"))
      29             : {
      30          36 :   _mu_qp = _mu;
      31             :   Real g2 = 0.0;
      32             :   Real f_interf = 0.0;
      33             :   Real a = 0.0;
      34             :   Real gamma = 0.0;
      35             :   Real y = 0.0; // 1/gamma
      36             :   Real yyy = 0.0;
      37             : 
      38         108 :   for (unsigned int m = 0; m < _op_num - 1; ++m)
      39         180 :     for (unsigned int n = m + 1; n < _op_num; ++n)
      40             :     {
      41             :       // Convert units of mobility and energy
      42         108 :       _sigma[m][n] *= _JtoeV * (_length_scale * _length_scale); // eV/nm^2
      43             : 
      44         108 :       _mob[m][n] *= _time_scale / (_JtoeV * (_length_scale * _length_scale * _length_scale *
      45             :                                              _length_scale)); // Convert to nm^4/(eV*ns);
      46             :     }
      47             : 
      48         108 :   for (unsigned int m = 0; m < _op_num - 1; ++m)
      49         180 :     for (unsigned int n = m + 1; n < _op_num; ++n) // m<n
      50             :     {
      51         108 :       g2 = _sigma[m][n] * _sigma[m][n] / (_kappa * _mu_qp);
      52         108 :       y = -5.288 * g2 * g2 * g2 * g2 - 0.09364 * g2 * g2 * g2 + 9.965 * g2 * g2 - 8.183 * g2 +
      53             :           2.007;
      54         108 :       gamma = 1 / y;
      55         108 :       yyy = y * y * y;
      56         108 :       f_interf = 0.05676 * yyy * yyy - 0.2924 * yyy * y * y + 0.6367 * yyy * y - 0.7749 * yyy +
      57         108 :                  0.6107 * y * y - 0.4324 * y + 0.2792;
      58         108 :       a = std::sqrt(f_interf / g2);
      59             : 
      60         108 :       _kappa_gamma[m][n] = _kappa; // upper triangle stores the discrete set of kappa values
      61         108 :       _kappa_gamma[n][m] = gamma;  // lower triangle stores the discrete set of gamma values
      62             : 
      63         108 :       _a_g2[m][n] = a;  // upper triangle stores "a" data.
      64         108 :       _a_g2[n][m] = g2; // lower triangle stores "g2" data.
      65             :     }
      66          36 : }