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ComputeGrainForceAndTorque.C
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ComputeGrainForceAndTorque.C
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//* This file is part of the MOOSE framework
//* https://www.mooseframework.org
//*
//* All rights reserved, see COPYRIGHT for full restrictions
//* https://github.com/idaholab/moose/blob/master/COPYRIGHT
//*
//* Licensed under LGPL 2.1, please see LICENSE for details
//* https://www.gnu.org/licenses/lgpl-2.1.html
#include "ComputeGrainForceAndTorque.h"
#include "GrainTrackerInterface.h"
#include "libmesh/quadrature.h"
registerMooseObject("PhaseFieldApp", ComputeGrainForceAndTorque);
template <>
InputParameters
validParams<ComputeGrainForceAndTorque>()
{
InputParameters params = validParams<ShapeElementUserObject>();
params.addClassDescription("Userobject for calculating force and torque acting on a grain");
params.addParam<MaterialPropertyName>("force_density", "force_density", "Force density material");
params.addParam<UserObjectName>("grain_data", "center of mass of grains");
params.addCoupledVar("c", "Concentration field");
params.addCoupledVar("etas", "Array of coupled order parameters");
return params;
}
ComputeGrainForceAndTorque::ComputeGrainForceAndTorque(const InputParameters & parameters)
: DerivativeMaterialInterface<ShapeElementUserObject>(parameters),
GrainForceAndTorqueInterface(),
_c_name(getVar("c", 0)->name()),
_c_var(coupled("c")),
_dF_name(getParam<MaterialPropertyName>("force_density")),
_dF(getMaterialPropertyByName<std::vector<RealGradient>>(_dF_name)),
_dFdc(getMaterialPropertyByName<std::vector<RealGradient>>(
derivativePropertyNameFirst(_dF_name, _c_name))),
_op_num(coupledComponents("etas")),
_grain_tracker(getUserObject<GrainTrackerInterface>("grain_data")),
_vals_var(_op_num),
_vals_name(_op_num),
_dFdgradeta(_op_num)
{
for (unsigned int i = 0; i < _op_num; ++i)
{
_vals_var[i] = coupled("etas", i);
_vals_name[i] = getVar("etas", i)->name();
_dFdgradeta[i] = &getMaterialPropertyByName<std::vector<Real>>(
derivativePropertyNameFirst(_dF_name, _vals_name[i]));
}
}
void
ComputeGrainForceAndTorque::initialize()
{
_grain_num = _grain_tracker.getTotalFeatureCount();
_ncomp = 6 * _grain_num;
_force_values.resize(_grain_num);
_torque_values.resize(_grain_num);
_force_torque_store.assign(_ncomp, 0.0);
if (_fe_problem.currentlyComputingJacobian())
{
_total_dofs = _subproblem.es().n_dofs();
_force_torque_c_jacobian_store.assign(_ncomp * _total_dofs, 0.0);
_force_torque_eta_jacobian_store.resize(_op_num);
for (unsigned int i = 0; i < _op_num; ++i)
_force_torque_eta_jacobian_store[i].assign(_ncomp * _total_dofs, 0.0);
}
}
void
ComputeGrainForceAndTorque::execute()
{
const auto & op_to_grains = _grain_tracker.getVarToFeatureVector(_current_elem->id());
for (unsigned int i = 0; i < _grain_num; ++i)
for (unsigned int j = 0; j < _op_num; ++j)
if (i == op_to_grains[j])
{
const auto centroid = _grain_tracker.getGrainCentroid(i);
for (_qp = 0; _qp < _qrule->n_points(); ++_qp)
if (_dF[_qp][j](0) != 0.0 || _dF[_qp][j](1) != 0.0 || _dF[_qp][j](2) != 0.0)
{
const RealGradient compute_torque =
_JxW[_qp] * _coord[_qp] * (_current_elem->centroid() - centroid).cross(_dF[_qp][j]);
_force_torque_store[6 * i + 0] += _JxW[_qp] * _coord[_qp] * _dF[_qp][j](0);
_force_torque_store[6 * i + 1] += _JxW[_qp] * _coord[_qp] * _dF[_qp][j](1);
_force_torque_store[6 * i + 2] += _JxW[_qp] * _coord[_qp] * _dF[_qp][j](2);
_force_torque_store[6 * i + 3] += compute_torque(0);
_force_torque_store[6 * i + 4] += compute_torque(1);
_force_torque_store[6 * i + 5] += compute_torque(2);
}
}
}
void
ComputeGrainForceAndTorque::executeJacobian(unsigned int jvar)
{
const auto & op_to_grains = _grain_tracker.getVarToFeatureVector(_current_elem->id());
if (jvar == _c_var)
for (unsigned int i = 0; i < _grain_num; ++i)
for (unsigned int j = 0; j < _op_num; ++j)
if (i == op_to_grains[j])
{
const auto centroid = _grain_tracker.getGrainCentroid(i);
for (_qp = 0; _qp < _qrule->n_points(); ++_qp)
if (_dFdc[_qp][j](0) != 0.0 || _dFdc[_qp][j](1) != 0.0 || _dFdc[_qp][j](2) != 0.0)
{
const Real factor = _JxW[_qp] * _coord[_qp] * _phi[_j][_qp];
const RealGradient compute_torque_jacobian_c =
factor * (_current_elem->centroid() - centroid).cross(_dFdc[_qp][j]);
_force_torque_c_jacobian_store[(6 * i + 0) * _total_dofs + _j_global] +=
factor * _dFdc[_qp][j](0);
_force_torque_c_jacobian_store[(6 * i + 1) * _total_dofs + _j_global] +=
factor * _dFdc[_qp][j](1);
_force_torque_c_jacobian_store[(6 * i + 2) * _total_dofs + _j_global] +=
factor * _dFdc[_qp][j](2);
_force_torque_c_jacobian_store[(6 * i + 3) * _total_dofs + _j_global] +=
compute_torque_jacobian_c(0);
_force_torque_c_jacobian_store[(6 * i + 4) * _total_dofs + _j_global] +=
compute_torque_jacobian_c(1);
_force_torque_c_jacobian_store[(6 * i + 5) * _total_dofs + _j_global] +=
compute_torque_jacobian_c(2);
}
}
for (unsigned int i = 0; i < _op_num; ++i)
if (jvar == _vals_var[i])
for (unsigned int j = 0; j < _grain_num; ++j)
for (unsigned int k = 0; k < _op_num; ++k)
if (j == op_to_grains[k])
{
const auto centroid = _grain_tracker.getGrainCentroid(j);
for (_qp = 0; _qp < _qrule->n_points(); ++_qp)
if ((*_dFdgradeta[i])[_qp][j] != 0.0)
{
const Real factor = _JxW[_qp] * _coord[_qp] * (*_dFdgradeta[i])[_qp][k];
const RealGradient compute_torque_jacobian_eta =
factor * (_current_elem->centroid() - centroid).cross(_grad_phi[_j][_qp]);
_force_torque_eta_jacobian_store[i][(6 * j + 0) * _total_dofs + _j_global] +=
factor * _grad_phi[_j][_qp](0);
_force_torque_eta_jacobian_store[i][(6 * j + 1) * _total_dofs + _j_global] +=
factor * _grad_phi[_j][_qp](1);
_force_torque_eta_jacobian_store[i][(6 * j + 2) * _total_dofs + _j_global] +=
factor * _grad_phi[_j][_qp](2);
_force_torque_eta_jacobian_store[i][(6 * j + 3) * _total_dofs + _j_global] +=
compute_torque_jacobian_eta(0);
_force_torque_eta_jacobian_store[i][(6 * j + 4) * _total_dofs + _j_global] +=
compute_torque_jacobian_eta(1);
_force_torque_eta_jacobian_store[i][(6 * j + 5) * _total_dofs + _j_global] +=
compute_torque_jacobian_eta(2);
}
}
}
void
ComputeGrainForceAndTorque::finalize()
{
gatherSum(_force_torque_store);
for (unsigned int i = 0; i < _grain_num; ++i)
{
_force_values[i](0) = _force_torque_store[6 * i + 0];
_force_values[i](1) = _force_torque_store[6 * i + 1];
_force_values[i](2) = _force_torque_store[6 * i + 2];
_torque_values[i](0) = _force_torque_store[6 * i + 3];
_torque_values[i](1) = _force_torque_store[6 * i + 4];
_torque_values[i](2) = _force_torque_store[6 * i + 5];
}
if (_fe_problem.currentlyComputingJacobian())
{
gatherSum(_force_torque_c_jacobian_store);
for (unsigned int i = 0; i < _op_num; ++i)
gatherSum(_force_torque_eta_jacobian_store[i]);
}
}
void
ComputeGrainForceAndTorque::threadJoin(const UserObject & y)
{
const ComputeGrainForceAndTorque & pps = static_cast<const ComputeGrainForceAndTorque &>(y);
for (unsigned int i = 0; i < _ncomp; ++i)
_force_torque_store[i] += pps._force_torque_store[i];
if (_fe_problem.currentlyComputingJacobian())
{
for (unsigned int i = 0; i < _ncomp * _total_dofs; ++i)
_force_torque_c_jacobian_store[i] += pps._force_torque_c_jacobian_store[i];
for (unsigned int i = 0; i < _op_num; ++i)
for (unsigned int j = 0; j < _ncomp * _total_dofs; ++j)
_force_torque_eta_jacobian_store[i][j] += pps._force_torque_eta_jacobian_store[i][j];
}
}
const std::vector<RealGradient> &
ComputeGrainForceAndTorque::getForceValues() const
{
return _force_values;
}
const std::vector<RealGradient> &
ComputeGrainForceAndTorque::getTorqueValues() const
{
return _torque_values;
}
const std::vector<Real> &
ComputeGrainForceAndTorque::getForceCJacobians() const
{
return _force_torque_c_jacobian_store;
}
const std::vector<std::vector<Real>> &
ComputeGrainForceAndTorque::getForceEtaJacobians() const
{
return _force_torque_eta_jacobian_store;
}