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 "MDGranularPropertyAux.h"
      10             : #include "MDRunBase.h"
      11             : 
      12             : registerMooseObject("MagpieApp", MDGranularPropertyAux);
      13             : 
      14             : InputParameters
      15          18 : MDGranularPropertyAux::validParams()
      16             : {
      17          18 :   InputParameters params = AuxKernel::validParams();
      18          36 :   params.addRequiredParam<UserObjectName>("user_object", "Name of MD runner UserObject");
      19          36 :   params.addParam<MultiMooseEnum>("md_particle_property",
      20          36 :                                   MDRunBase::mdParticleProperties(),
      21             :                                   "Property that is injected into auxiliary variable.");
      22          36 :   params.addParam<MooseEnum>("average_type",
      23          36 :                              MDGranularPropertyAux::mdAveragingType(),
      24             :                              "The type of average to be taken: "
      25             :                              "granular_sum|granular_densitygranular_interstitial_density.");
      26          18 :   params.addClassDescription(
      27             :       "Injects properties collected for MD particles from MDRunBase object user_object "
      28             :       "into auxiliary variable.");
      29          18 :   return params;
      30           0 : }
      31             : 
      32          10 : MDGranularPropertyAux::MDGranularPropertyAux(const InputParameters & parameters)
      33             :   : AuxKernel(parameters),
      34          10 :     _md_uo(getUserObject<MDRunBase>("user_object")),
      35          30 :     _average_type(getParam<MooseEnum>("average_type"))
      36             : {
      37             :   // check length of MultiMooseEnum parameter, get it and check that UO has it
      38          20 :   MultiMooseEnum mme = getParam<MultiMooseEnum>("md_particle_property");
      39          10 :   if (mme.size() != 1)
      40           0 :     mooseError("md_particle_property must contain a single property.");
      41          10 :   _property_id = mme.get(0);
      42          20 :   if (!_md_uo.properties().contains(mme))
      43           0 :     mooseError("Property ", _property_id, " not available from user_object.");
      44             : 
      45             :   // ensure MD particles are granular
      46          10 :   if (!_md_uo.isGranular())
      47           0 :     mooseError("user_object stores non-granular particles.");
      48             : 
      49             :   // ensure variable is elemental
      50          10 :   if (isNodal())
      51           0 :     mooseError("MDGranularPropertyAux only permits elemental variables.");
      52          10 : }
      53             : 
      54             : Real
      55        1728 : MDGranularPropertyAux::computeValue()
      56             : {
      57        1728 :   if (_qp == 0)
      58             :   {
      59         216 :     _property_value = 0.0;
      60             : 
      61             :     // get the overlapping MD particles
      62             :     std::vector<std::pair<unsigned int, Real>> gran_vol;
      63         216 :     _md_uo.granularElementVolumes(_current_elem->unique_id(), gran_vol);
      64             : 
      65             :     // loop over the overlapping MD particles and add property value
      66             :     Real denominator = 0;
      67         648 :     for (auto & p : gran_vol)
      68             :     {
      69         432 :       _property_value += p.second * _md_uo.particleProperty(p.first, _property_id);
      70         432 :       denominator += p.second;
      71             :     }
      72             : 
      73             :     // compute property value depending on what average type is requested
      74         216 :     if (_average_type == 1)
      75         216 :       _property_value /= _current_elem->volume();
      76           0 :     else if (_average_type == 2)
      77             :     {
      78           0 :       if (denominator == 0.0)
      79           0 :         _property_value = 0.0;
      80             :       else
      81           0 :         _property_value /= denominator;
      82             :     }
      83             :   }
      84        1728 :   return _property_value;
      85             : }
      86             : 
      87             : MooseEnum
      88          18 : MDGranularPropertyAux::mdAveragingType()
      89             : {
      90          36 :   return MooseEnum("granular_sum=0 granular_density=1 granular_interstitial_density=2");
      91             : }