FEApp_BrusselatorPDEImpl.hpp

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// $Id: FEApp_BrusselatorPDEImpl.hpp,v 1.4 2007/07/09 17:04:02 etphipp Exp $ 
// $Source: /space/CVS/Trilinos/packages/sacado/example/FEApp/FEApp_BrusselatorPDEImpl.hpp,v $ 
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// 
//                           Sacado Package
//                 Copyright (2006) Sandia Corporation
// 
// Under the terms of Contract DE-AC04-94AL85000 with Sandia Corporation,
// the U.S. Government retains certain rights in this software.
// 
// This library is free software; you can redistribute it and/or modify
// it under the terms of the GNU Lesser General Public License as
// published by the Free Software Foundation; either version 2.1 of the
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// This library is distributed in the hope that it will be useful, but
// WITHOUT ANY WARRANTY; without even the implied warranty of
// MERCHANTABILITY or FITNESS FOR A PARTICULAR PURPOSE.  See the GNU
// Lesser General Public License for more details.
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// You should have received a copy of the GNU Lesser General Public
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// Foundation, Inc., 59 Temple Place, Suite 330, Boston, MA 02111-1307
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// Questions? Contact David M. Gay (dmgay@sandia.gov) or Eric T. Phipps
// (etphipp@sandia.gov).
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#include "FEApp_BrusselatorParameters.hpp"

template <typename ScalarT>
FEApp::BrusselatorPDE<ScalarT>::
BrusselatorPDE(
       double alpha_, double beta_, double D1_, double D2_,
       const Teuchos::RCP<Sacado::ScalarParameterLibrary>& paramLib) : 
  num_qp(0),
  num_nodes(0),
  phi(),
  dphi(),
  jac(),
  T(),
  C(),
  dT(),
  dC(),
  Tdot(),
  Cdot(),
  alpha(alpha_),
  beta(beta_),
  D1(D1_),
  D2(D2_),
  pl(paramLib)
{
  // Add "alpha" to parameter library
  std::string name = "Brusselator Alpha";
  if (!pl->isParameter(name))
    pl->addParameterFamily(name, true, false);
  if (!pl->template isParameterForType<ScalarT>(name)) {
    Teuchos::RCP< BrusselatorAlphaParameter<ScalarT> > tmpa = 
      Teuchos::rcp(new BrusselatorAlphaParameter<ScalarT>(alpha));
    pl->template addEntry<ScalarT>(name, tmpa);
  }

  // Add "beta" to parameter library
  name = "Brusselator Beta";
  if (!pl->isParameter(name))
    pl->addParameterFamily(name, true, false);
  if (!pl->template isParameterForType<ScalarT>(name)) {
    Teuchos::RCP< BrusselatorBetaParameter<ScalarT> > tmpb = 
      Teuchos::rcp(new BrusselatorBetaParameter<ScalarT>(beta));
    pl->template addEntry<ScalarT>(name, tmpb);
  }
}

template <typename ScalarT>
FEApp::BrusselatorPDE<ScalarT>::
~BrusselatorPDE()
{
}

template <typename ScalarT>
unsigned int 
FEApp::BrusselatorPDE<ScalarT>::
numEquations() const
{
  return 2;
}

template <typename ScalarT>
void
FEApp::BrusselatorPDE<ScalarT>::
init(unsigned int numQuadPoints, unsigned int numNodes)
{
  num_qp = numQuadPoints;
  num_nodes = numNodes;

  phi.resize(num_qp);
  dphi.resize(num_qp);
  jac.resize(num_qp);
  T.resize(num_qp);
  C.resize(num_qp);
  dT.resize(num_qp);
  dC.resize(num_qp);
  Tdot.resize(num_qp);
  Cdot.resize(num_qp);

  for (unsigned int i=0; i<num_qp; i++) {
    phi[i].resize(num_nodes);
    dphi[i].resize(num_nodes);
  }
}

template <typename ScalarT>
void
FEApp::BrusselatorPDE<ScalarT>::
evaluateElementResidual(const FEApp::AbstractQuadrature& quadRule,
      const FEApp::AbstractElement& element,
      const std::vector<ScalarT>* dot,
      const std::vector<ScalarT>& solution,
      std::vector<ScalarT>& residual)
{
  // Get alpha, beta
  alpha = pl->template getValue<ScalarT>("Brusselator Alpha");
  beta = pl->template getValue<ScalarT>("Brusselator Beta");
  
   // Quadrature points
  const std::vector<double>& xi = quadRule.quadPoints();

  // Weights
  const std::vector<double>& w = quadRule.weights();

  // Evaluate shape functions
  element.evaluateShapes(xi, phi);

  // Evaluate shape function derivatives
  element.evaluateShapeDerivs(xi, dphi);

  // Evaluate Jacobian of transformation to standard element
  element.evaluateJacobian(xi, jac);

  // Compute discretizes solution
  for (unsigned int qp=0; qp<num_qp; qp++) {
    T[qp] = 0.0;
    C[qp] = 0.0;
    dT[qp] = 0.0;
    dC[qp] = 0.0;
    Tdot[qp] = 0.0;
    Cdot[qp] = 0.0;

    for (unsigned int node=0; node<num_nodes; node++) {
      T[qp] += solution[2*node] * phi[qp][node];
      C[qp] += solution[2*node+1] * phi[qp][node];
      dT[qp] += solution[2*node] * dphi[qp][node];
      dC[qp] += solution[2*node+1] * dphi[qp][node];
      if (dot != NULL) {
  Tdot[qp] += (*dot)[2*node] * phi[qp][node];
  Cdot[qp] += (*dot)[2*node+1] * phi[qp][node];
      }
    }

  }

  // Evaluate residual
  for (unsigned int node=0; node<num_nodes; node++) {
    residual[2*node] = 0.0;
    residual[2*node+1] = 0.0;

    for (unsigned int qp=0; qp<num_qp; qp++) {
      residual[2*node] += 
  w[qp]*jac[qp]*(-(1.0/(jac[qp]*jac[qp]))*D1*dT[qp]*dphi[qp][node] + 
           phi[qp][node]*(alpha - (beta+1.0)*T[qp] + 
              T[qp]*T[qp]*C[qp] - 
              Tdot[qp]));
      residual[2*node+1] += 
  w[qp]*jac[qp]*(-(1.0/(jac[qp]*jac[qp]))*D2*dC[qp]*dphi[qp][node] + 
           phi[qp][node]*(beta*T[qp] - T[qp]*T[qp]*C[qp] - 
              Cdot[qp]));
    }
  }

}

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