int
main(int ac, char* av[])
{
KokkosGuard kokkos(ac, av);
typedef PHX::MDField<PHAL::AlbanyTraits::Residual::ScalarT>::size_type
size_type;
typedef PHAL::AlbanyTraits::Residual Residual;
typedef PHAL::AlbanyTraits::Residual::ScalarT ScalarT;
typedef PHAL::AlbanyTraits Traits;
std::cout.precision(15);
//
// Create a command line processor and parse command line options
//
Teuchos::CommandLineProcessor command_line_processor;
command_line_processor.setDocString(
"Material Point Simulator.\n"
"For testing material models in LCM.\n");
std::string input_file = "materials.xml";
command_line_processor.setOption("input", &input_file, "Input File Name");
std::string timing_file = "timing.csv";
command_line_processor.setOption("timing", &timing_file, "Timing File Name");
int workset_size = 1;
command_line_processor.setOption("wsize", &workset_size, "Workset Size");
int num_pts = 1;
command_line_processor.setOption(
"npoints", &num_pts, "Number of Gaussian Points");
size_t memlimit = 1024; // 1GB heap limit by default
command_line_processor.setOption(
"memlimit", &memlimit, "Heap memory limit in MB for CUDA kernels");
// Throw a warning and not error for unrecognized options
command_line_processor.recogniseAllOptions(true);
// Don't throw exceptions for errors
command_line_processor.throwExceptions(false);
// Parse command line
Teuchos::CommandLineProcessor::EParseCommandLineReturn parse_return =
command_line_processor.parse(ac, av);
std::ofstream tout(timing_file.c_str());
if (parse_return == Teuchos::CommandLineProcessor::PARSE_HELP_PRINTED) {
return 0;
}
if (parse_return != Teuchos::CommandLineProcessor::PARSE_SUCCESSFUL) {
return 1;
}
util::TimeMonitor& tmonitor =
util::PerformanceContext::instance().timeMonitor();
Teuchos::RCP<Teuchos::Time> total_time = tmonitor["MPS: Total Time"];
Teuchos::RCP<Teuchos::Time> compute_time = tmonitor["MPS: Compute Time"];
//
// Process material.xml file
// Read into materialDB and get material model name
//
// A mpi object must be instantiated before using the comm to read
// material file
Teuchos::GlobalMPISession mpi_session(&ac, &av);
Teuchos::RCP<const Teuchos_Comm> commT =
Albany::createTeuchosCommFromMpiComm(Albany_MPI_COMM_WORLD);
Teuchos::RCP<Albany::MaterialDatabase> material_db;
material_db = Teuchos::rcp(new Albany::MaterialDatabase(input_file, commT));
// Get the name of the material model to be used (and make sure there is one)
std::string element_block_name = "Block0";
std::string material_model_name;
material_model_name =
material_db->getElementBlockSublist(element_block_name, "Material Model")
.get<std::string>("Model Name");
TEUCHOS_TEST_FOR_EXCEPTION(
material_model_name.length() == 0,
std::logic_error,
"A material model must be defined for block: " + element_block_name);
//
// Preloading stage setup
// set up evaluators, create field and state managers
//
// Set up the data layout
// const int workset_size = 1;
const int num_dims = 3;
const int num_vertices = 8;
const int num_nodes = 8;
const Teuchos::RCP<Albany::Layouts> dl = Teuchos::rcp(new Albany::Layouts(
workset_size, num_vertices, num_nodes, num_pts, num_dims));
// create field name strings
LCM::FieldNameMap field_name_map(false);
Teuchos::RCP<std::map<std::string, std::string>> fnm =
field_name_map.getMap();
//---------------------------------------------------------------------------
// Deformation gradient
// initially set the deformation gradient to the identity
Teuchos::ArrayRCP<ScalarT> def_grad(workset_size * num_pts * 9);
for (int i = 0; i < workset_size; ++i) {
for (int j = 0; j < num_pts; ++j) {
int base = i * num_pts * 9 + j * 9;
for (int k = 0; k < 9; ++k) def_grad[base + k] = 0.0;
def_grad[base + 0] = 1.0;
def_grad[base + 4] = 1.0;
def_grad[base + 8] = 1.0;
}
}
// SetField evaluator, which will be used to manually assign a value
// to the def_grad field
Teuchos::ParameterList setDefGradP("SetFieldDefGrad");
setDefGradP.set<std::string>("Evaluated Field Name", "F");
setDefGradP.set<Teuchos::RCP<PHX::DataLayout>>(
"Evaluated Field Data Layout", dl->qp_tensor);
setDefGradP.set<Teuchos::ArrayRCP<ScalarT>>("Field Values", def_grad);
auto setFieldDefGrad =
Teuchos::rcp(new LCM::SetField<Residual, Traits>(setDefGradP));
//---------------------------------------------------------------------------
// Det(deformation gradient)
Teuchos::ArrayRCP<ScalarT> detdefgrad(workset_size * num_pts);
for (int i = 0; i < workset_size * num_pts; ++i) detdefgrad[i] = 1.0;
// SetField evaluator, which will be used to manually assign a value
// to the detdefgrad field
Teuchos::ParameterList setDetDefGradP("SetFieldDetDefGrad");
setDetDefGradP.set<std::string>("Evaluated Field Name", "J");
setDetDefGradP.set<Teuchos::RCP<PHX::DataLayout>>(
"Evaluated Field Data Layout", dl->qp_scalar);
setDetDefGradP.set<Teuchos::ArrayRCP<ScalarT>>("Field Values", detdefgrad);
auto setFieldDetDefGrad =
Teuchos::rcp(new LCM::SetField<Residual, Traits>(setDetDefGradP));
//---------------------------------------------------------------------------
// Small strain tensor
// initially set the strain tensor to zeros
Teuchos::ArrayRCP<ScalarT> strain(workset_size * num_pts * 9);
for (int i = 0; i < workset_size; ++i) {
for (int j = 0; j < num_pts; ++j) {
int base = i * num_pts * 9 + j * 9;
for (int k = 0; k < 9; ++k) strain[base + k] = 0.0;
}
}
// SetField evaluator, which will be used to manually assign a value
// to the strain field
Teuchos::ParameterList setStrainP("SetFieldStrain");
setStrainP.set<std::string>("Evaluated Field Name", "Strain");
setStrainP.set<Teuchos::RCP<PHX::DataLayout>>(
"Evaluated Field Data Layout", dl->qp_tensor);
setStrainP.set<Teuchos::ArrayRCP<ScalarT>>("Field Values", strain);
auto setFieldStrain =
Teuchos::rcp(new LCM::SetField<Residual, Traits>(setStrainP));
//---------------------------------------------------------------------------
// Instantiate a field manager
PHX::FieldManager<Traits> fieldManager;
// Instantiate a field manager for States
PHX::FieldManager<Traits> stateFieldManager;
// Register the evaluators with the field manager
fieldManager.registerEvaluator<Residual>(setFieldDefGrad);
fieldManager.registerEvaluator<Residual>(setFieldDetDefGrad);
fieldManager.registerEvaluator<Residual>(setFieldStrain);
// Register the evaluators with the state field manager
stateFieldManager.registerEvaluator<Residual>(setFieldDefGrad);
stateFieldManager.registerEvaluator<Residual>(setFieldDetDefGrad);
stateFieldManager.registerEvaluator<Residual>(setFieldStrain);
// Instantiate a state manager
Albany::StateManager stateMgr;
// extract the Material ParameterList for use below
std::string matName = material_db->getElementBlockParam<std::string>(
element_block_name, "material");
Teuchos::ParameterList& paramList =
material_db->getElementBlockSublist(element_block_name, matName);
Teuchos::ParameterList& mpsParams =
paramList.sublist("Material Point Simulator");
// Get loading parameters from .xml file
std::string load_case =
mpsParams.get<std::string>("Loading Case Name", "uniaxial");
int number_steps = mpsParams.get<int>("Number of Steps", 10);
double step_size = mpsParams.get<double>("Step Size", 1.0e-2);
std::cout << "Loading parameters:"
<< "\n number of steps: " << number_steps
<< "\n step_size : " << step_size << std::endl;
// determine if temperature is being used
bool have_temperature = mpsParams.get<bool>("Use Temperature", false);
std::cout << "have_temp: " << have_temperature << std::endl;
//---------------------------------------------------------------------------
// Temperature (optional)
if (have_temperature) {
Teuchos::ArrayRCP<ScalarT> temperature(workset_size);
ScalarT temp = mpsParams.get<double>("Temperature", 1.0);
for (int i = 0; i < workset_size * num_pts; ++i) temperature[0] = temp;
// SetField evaluator, which will be used to manually assign a value
// to the detdefgrad field
Teuchos::ParameterList setTempP("SetFieldTemperature");
setTempP.set<std::string>("Evaluated Field Name", "Temperature");
setTempP.set<Teuchos::RCP<PHX::DataLayout>>(
"Evaluated Field Data Layout", dl->qp_scalar);
setTempP.set<Teuchos::ArrayRCP<ScalarT>>("Field Values", temperature);
auto setFieldTemperature =
Teuchos::rcp(new LCM::SetField<Residual, Traits>(setTempP));
fieldManager.registerEvaluator<Residual>(setFieldTemperature);
stateFieldManager.registerEvaluator<Residual>(setFieldTemperature);
}
//---------------------------------------------------------------------------
// Time step
Teuchos::ArrayRCP<ScalarT> delta_time(1);
delta_time[0] = step_size;
Teuchos::ParameterList setDTP("SetFieldTimeStep");
setDTP.set<std::string>("Evaluated Field Name", "Delta Time");
setDTP.set<Teuchos::RCP<PHX::DataLayout>>(
"Evaluated Field Data Layout", dl->workset_scalar);
setDTP.set<Teuchos::ArrayRCP<ScalarT>>("Field Values", delta_time);
auto setFieldDT = Teuchos::rcp(new LCM::SetField<Residual, Traits>(setDTP));
fieldManager.registerEvaluator<Residual>(setFieldDT);
stateFieldManager.registerEvaluator<Residual>(setFieldDT);
// check if the material wants the tangent to be computed
bool check_stability;
check_stability = mpsParams.get<bool>("Check Stability", false);
paramList.set<bool>("Compute Tangent", check_stability);
std::cout << "Check stability = " << check_stability << std::endl;
//---------------------------------------------------------------------------
// std::cout << "// Constitutive Model Parameters"
//<< std::endl;
Teuchos::ParameterList cmpPL;
paramList.set<Teuchos::RCP<std::map<std::string, std::string>>>(
"Name Map", fnm);
cmpPL.set<Teuchos::ParameterList*>("Material Parameters", ¶mList);
if (have_temperature) {
cmpPL.set<std::string>("Temperature Name", "Temperature");
paramList.set<bool>("Have Temperature", true);
}
auto CMP = Teuchos::rcp(
new LCM::ConstitutiveModelParameters<Residual, Traits>(cmpPL, dl));
fieldManager.registerEvaluator<Residual>(CMP);
stateFieldManager.registerEvaluator<Residual>(CMP);
//---------------------------------------------------------------------------
// std::cout << "// Constitutive Model Interface Evaluator"
// << std::endl;
Teuchos::ParameterList cmiPL;
cmiPL.set<Teuchos::ParameterList*>("Material Parameters", ¶mList);
if (have_temperature) {
cmiPL.set<std::string>("Temperature Name", "Temperature");
}
Teuchos::RCP<LCM::ConstitutiveModelInterface<Residual, Traits>> CMI =
Teuchos::rcp(
new LCM::ConstitutiveModelInterface<Residual, Traits>(cmiPL, dl));
fieldManager.registerEvaluator<Residual>(CMI);
stateFieldManager.registerEvaluator<Residual>(CMI);
// Set the evaluated fields as required
for (std::vector<Teuchos::RCP<PHX::FieldTag>>::const_iterator it =
CMI->evaluatedFields().begin();
it != CMI->evaluatedFields().end();
++it) {
fieldManager.requireField<Residual>(**it);
}
// register state variables
Teuchos::RCP<Teuchos::ParameterList> p;
Teuchos::RCP<PHX::Evaluator<Traits>> ev;
for (int sv(0); sv < CMI->getNumStateVars(); ++sv) {
CMI->fillStateVariableStruct(sv);
p = stateMgr.registerStateVariable(
CMI->getName(),
CMI->getLayout(),
dl->dummy,
element_block_name,
CMI->getInitType(),
CMI->getInitValue(),
CMI->getStateFlag(),
CMI->getOutputFlag());
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
}
//---------------------------------------------------------------------------
if (check_stability) {
std::string parametrization_type =
mpsParams.get<std::string>("Parametrization Type", "Spherical");
double parametrization_interval =
mpsParams.get<double>("Parametrization Interval", 0.05);
std::cout << "Bifurcation Check in Material Point Simulator:" << std::endl;
std::cout << "Parametrization Type: " << parametrization_type << std::endl;
Teuchos::ParameterList bcPL;
bcPL.set<Teuchos::ParameterList*>("Material Parameters", ¶mList);
bcPL.set<std::string>("Parametrization Type Name", parametrization_type);
bcPL.set<double>("Parametrization Interval Name", parametrization_interval);
bcPL.set<std::string>("Material Tangent Name", "Material Tangent");
bcPL.set<std::string>("Ellipticity Flag Name", "Ellipticity_Flag");
bcPL.set<std::string>("Bifurcation Direction Name", "Direction");
bcPL.set<std::string>("Min detA Name", "Min detA");
Teuchos::RCP<LCM::BifurcationCheck<Residual, Traits>> BC =
Teuchos::rcp(new LCM::BifurcationCheck<Residual, Traits>(bcPL, dl));
fieldManager.registerEvaluator<Residual>(BC);
stateFieldManager.registerEvaluator<Residual>(BC);
// register the ellipticity flag
p = stateMgr.registerStateVariable(
"Ellipticity_Flag",
dl->qp_scalar,
dl->dummy,
element_block_name,
"scalar",
0.0,
false,
true);
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
// register the direction
p = stateMgr.registerStateVariable(
"Direction",
dl->qp_vector,
dl->dummy,
element_block_name,
"scalar",
0.0,
false,
true);
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
// register min(det(A))
p = stateMgr.registerStateVariable(
"Min detA",
dl->qp_scalar,
dl->dummy,
element_block_name,
"scalar",
0.0,
false,
true);
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
}
//---------------------------------------------------------------------------
// std::cout << "// register deformation gradient"
// << std::endl;
p = stateMgr.registerStateVariable(
"F",
dl->qp_tensor,
dl->dummy,
element_block_name,
"identity",
1.0,
true,
true);
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
//---------------------------------------------------------------------------
// std::cout << "// register small strain tensor"
// << std::endl;
p = stateMgr.registerStateVariable(
"Strain",
dl->qp_tensor,
dl->dummy,
element_block_name,
"scalar",
0.0,
false,
true);
ev = Teuchos::rcp(new PHAL::SaveStateField<Residual, Traits>(*p));
fieldManager.registerEvaluator<Residual>(ev);
stateFieldManager.registerEvaluator<Residual>(ev);
//---------------------------------------------------------------------------
//
Traits::SetupData setupData = "Test String";
// std::cout << "Calling postRegistrationSetup" << std::endl;
fieldManager.postRegistrationSetup(setupData);
// std::cout << "// set the required fields for the state manager"
//<< std::endl;
Teuchos::RCP<PHX::DataLayout> dummy =
Teuchos::rcp(new PHX::MDALayout<Dummy>(0));
std::vector<std::string> responseIDs =
stateMgr.getResidResponseIDsToRequire(element_block_name);
std::vector<std::string>::const_iterator it;
for (it = responseIDs.begin(); it != responseIDs.end(); it++) {
const std::string& responseID = *it;
PHX::Tag<PHAL::AlbanyTraits::Residual::ScalarT> res_response_tag(
responseID, dummy);
stateFieldManager.requireField<PHAL::AlbanyTraits::Residual>(
res_response_tag);
}
stateFieldManager.postRegistrationSetup("");
// std::cout << "Process using 'dot -Tpng -O <name>'\n";
fieldManager.writeGraphvizFile<Residual>("FM", true, true);
stateFieldManager.writeGraphvizFile<Residual>("SFM", true, true);
//---------------------------------------------------------------------------
// grab the output file name
//
std::string output_file =
mpsParams.get<std::string>("Output File Name", "output.exo");
//---------------------------------------------------------------------------
// Create discretization, as required by the StateManager
//
Teuchos::RCP<Teuchos::ParameterList> discretizationParameterList =
Teuchos::rcp(new Teuchos::ParameterList("Discretization"));
discretizationParameterList->set<int>("1D Elements", workset_size);
discretizationParameterList->set<int>("2D Elements", 1);
discretizationParameterList->set<int>("3D Elements", 1);
discretizationParameterList->set<std::string>("Method", "STK3D");
discretizationParameterList->set<int>("Number Of Time Derivatives", 0);
discretizationParameterList->set<std::string>(
"Exodus Output File Name", output_file);
discretizationParameterList->set<int>("Workset Size", workset_size);
Teuchos::RCP<Tpetra_Map> mapT = Teuchos::rcp(new Tpetra_Map(
workset_size * num_dims * num_nodes,
0,
commT,
Tpetra::LocallyReplicated));
Teuchos::RCP<Tpetra_Vector> solution_vectorT =
Teuchos::rcp(new Tpetra_Vector(mapT));
int numberOfEquations = 3;
Albany::AbstractFieldContainer::FieldContainerRequirements req;
Teuchos::RCP<Albany::AbstractSTKMeshStruct> stkMeshStruct =
Teuchos::rcp(new Albany::TmplSTKMeshStruct<3>(
discretizationParameterList, Teuchos::null, commT));
stkMeshStruct->setFieldAndBulkData(
commT,
discretizationParameterList,
numberOfEquations,
req,
stateMgr.getStateInfoStruct(),
stkMeshStruct->getMeshSpecs()[0]->worksetSize);
Teuchos::RCP<Albany::AbstractDiscretization> discretization =
Teuchos::rcp(new Albany::STKDiscretization(
discretizationParameterList, stkMeshStruct, commT));
//---------------------------------------------------------------------------
// Associate the discretization with the StateManager
//
stateMgr.setupStateArrays(discretization);
//---------------------------------------------------------------------------
// Create a workset
//
PHAL::Workset workset;
workset.numCells = workset_size;
workset.stateArrayPtr =
&stateMgr.getStateArray(Albany::StateManager::ELEM, 0);
// create MDFields
PHX::MDField<ScalarT, Cell, QuadPoint, Dim, Dim> stressField(
"Cauchy_Stress", dl->qp_tensor);
// construct the final deformation gradient based on the loading case
std::vector<ScalarT> F_vector(9, 0.0);
if (load_case == "uniaxial") {
F_vector[0] = 1.0 + number_steps * step_size;
F_vector[4] = 1.0;
F_vector[8] = 1.0;
} else if (load_case == "simple-shear") {
F_vector[0] = 1.0;
F_vector[1] = number_steps * step_size;
F_vector[4] = 1.0;
F_vector[8] = 1.0;
} else if (load_case == "hydrostatic") {
F_vector[0] = 1.0 + number_steps * step_size;
F_vector[4] = 1.0 + number_steps * step_size;
F_vector[8] = 1.0 + number_steps * step_size;
} else if (load_case == "general") {
F_vector =
mpsParams.get<Teuchos::Array<double>>("Deformation Gradient Components")
.toVector();
} else {
TEUCHOS_TEST_FOR_EXCEPTION(
true,
std::runtime_error,
"Improper Loading Case in Material Point Simulator block");
}
minitensor::Tensor<ScalarT> F_tensor(3, &F_vector[0]);
minitensor::Tensor<ScalarT> log_F_tensor = minitensor::log(F_tensor);
std::cout << "F\n" << F_tensor << std::endl;
// std::cout << "log F\n" << log_F_tensor << std::endl;
//
// Setup loading scenario and instantiate evaluatFields
//
PHX::MDField<ScalarT, Cell, QuadPoint> minDetA("Min detA", dl->qp_scalar);
PHX::MDField<ScalarT, Cell, QuadPoint, Dim> direction(
"Direction", dl->qp_vector);
// Bifurcation check parameters
double mu_0 = 0;
double mu_k = 0;
int bifurcationTime_rough = number_steps;
bool bifurcation_flag = false;
for (int istep(0); istep <= number_steps; ++istep) {
util::TimeGuard total_time_guard(total_time);
// std::cout << "****** in MPS step " << istep << " ****** " << std::endl;
// alpha \in [0,1]
double alpha = double(istep) / number_steps;
// std::cout << "alpha: " << alpha << std::endl;
minitensor::Tensor<ScalarT> scaled_log_F_tensor = alpha * log_F_tensor;
minitensor::Tensor<ScalarT> current_F =
minitensor::exp(scaled_log_F_tensor);
// std::cout << "scaled log F\n" << scaled_log_F_tensor << std::endl;
// std::cout << "current F\n" << current_F << std::endl;
for (int i = 0; i < 3; ++i) {
for (int j = 0; j < 3; ++j) { def_grad[3 * i + j] = current_F(i, j); }
}
// jacobian
detdefgrad[0] = minitensor::det(current_F);
// small strain tensor
minitensor::Tensor<ScalarT> current_strain;
current_strain = 0.5 * (current_F + minitensor::transpose(current_F)) -
minitensor::eye<ScalarT>(3);
for (int i = 0; i < 3; ++i) {
for (int j = 0; j < 3; ++j) { strain[3 * i + j] = current_strain(i, j); }
}
// std::cout << "current strain\n" << current_strain << std::endl;
// Call the evaluators, evaluateFields() is the function that
// computes stress based on deformation gradient
compute_time->start();
fieldManager.preEvaluate<Residual>(workset);
fieldManager.evaluateFields<Residual>(workset);
fieldManager.postEvaluate<Residual>(workset);
compute_time->stop();
stateFieldManager.getFieldData<Residual>(stressField);
// Call the state field manager
// std::cout << "+++ calling the stateFieldManager\n";
compute_time->start();
stateFieldManager.preEvaluate<Residual>(workset);
stateFieldManager.evaluateFields<Residual>(workset);
stateFieldManager.postEvaluate<Residual>(workset);
compute_time->stop();
stateMgr.updateStates();
// output to the exodus file
// Don't include this in timing data...
total_time->stop();
discretization->writeSolutionT(
*solution_vectorT, Teuchos::as<double>(istep));
// if check for bifurcation, adaptive step
total_time->start();
if (check_stability) {
// get current minDet(A)
stateFieldManager.getFieldData<Residual>(minDetA);
if (istep == 0) { mu_0 = minDetA(0, 0); }
if (minDetA(0, 0) <= 0 && !bifurcation_flag) {
mu_k = minDetA(0, 0);
bifurcationTime_rough = istep;
bifurcation_flag = true;
// adaptive step begin
std::cout << "\nAdaptive step begin - step " << istep << std::endl;
// initialization for adaptive step
double tol = 1E-8;
double alpha_local = 1.0;
double alpha_local_step = 0.5;
int k = 1;
int maxIteration = 50;
// small strain tensor
minitensor::Tensor<ScalarT> current_strain;
// iteration begin
while (((mu_k <= 0) || (std::abs(mu_k / mu_0) > tol))) {
alpha =
double(bifurcationTime_rough - 1 + alpha_local) / number_steps;
minitensor::Tensor<ScalarT> scaled_log_F_tensor =
alpha * log_F_tensor;
minitensor::Tensor<ScalarT> current_F =
minitensor::exp(scaled_log_F_tensor);
for (int i = 0; i < 3; ++i) {
for (int j = 0; j < 3; ++j) {
def_grad[3 * i + j] = current_F(i, j);
}
}
// jacobian
detdefgrad[0] = minitensor::det(current_F);
current_strain =
0.5 * (current_F + minitensor::transpose(current_F)) -
minitensor::eye<ScalarT>(3);
for (int i = 0; i < 3; ++i) {
for (int j = 0; j < 3; ++j) {
strain[3 * i + j] = current_strain(i, j);
}
}
// Call the evaluators, evaluateFields() is the function that
// computes stress based on deformation gradient
fieldManager.preEvaluate<Residual>(workset);
fieldManager.evaluateFields<Residual>(workset);
fieldManager.postEvaluate<Residual>(workset);
// Call the state field manager
// std::cout << "+++ calling the stateFieldManager\n";
stateFieldManager.preEvaluate<Residual>(workset);
stateFieldManager.evaluateFields<Residual>(workset);
stateFieldManager.postEvaluate<Residual>(workset);
stateFieldManager.getFieldData<Residual>(minDetA);
stateFieldManager.getFieldData<Residual>(direction);
mu_k = minDetA(0, 0);
if (mu_k > 0) {
alpha_local += alpha_local_step;
} else {
alpha_local -= alpha_local_step;
}
alpha_local_step /= 2;
k = k + 1;
if (k >= maxIteration) {
std::cout
<< "Adaptive step for bifurcation check not converging after "
<< k << " iterations" << std::endl;
break;
}
} // adaptive step iteration end
} // end adaptive step
} // end check bifurcation
stateMgr.updateStates();
//
if (bifurcation_flag) {
// break the loading step after adaptive time step loop
break;
}
//
} // end loading steps
// Summarize with AlbanyUtil performance monitors
if (tout) {
util::PerformanceContext::instance().timeMonitor().summarize(tout);
tout.close();
}
}
void LamentStress<EvalT, Traits>::
evaluateFields(typename Traits::EvalData workset)
{
Teuchos::RCP<lament::matParams<ScalarT>> matp = Teuchos::rcp(new lament::matParams<ScalarT>());
// Get the old state data
Albany::MDArray oldDefGrad = (*workset.stateArrayPtr)[defGradName];
Albany::MDArray oldStress = (*workset.stateArrayPtr)[stressName];
int numStateVariables = (int)(this->lamentMaterialModelStateVariableNames.size());
// \todo Get actual time step for calls to LAMENT materials.
double deltaT = 1.0;
vector<ScalarT> strainRate(6); // symmetric tensor
vector<ScalarT> spin(3); // skew-symmetric tensor
vector<ScalarT> defGrad(9); // symmetric tensor
vector<ScalarT> leftStretch(6); // symmetric tensor
vector<ScalarT> rotation(9); // full tensor
vector<double> stressOld(6); // symmetric tensor
vector<ScalarT> stressNew(6); // symmetric tensor
vector<double> stateOld(numStateVariables); // a single scalar for each state variable
vector<double> stateNew(numStateVariables); // a single scalar for each state variable
// \todo Set up scratch space for material models using getNumScratchVars() and setScratchPtr().
// Create the matParams structure, which is passed to Lament
matp->nelements = 1;
matp->dt = deltaT;
matp->time = 0.0;
matp->strain_rate = &strainRate[0];
matp->spin = &spin[0];
matp->deformation_gradient = &defGrad[0];
matp->left_stretch = &leftStretch[0];
matp->rotation = &rotation[0];
matp->state_old = &stateOld[0];
matp->state_new = &stateNew[0];
matp->stress_old = &stressOld[0];
matp->stress_new = &stressNew[0];
// matp->dt_mat = std::numeric_limits<double>::max();
// matParams that still need to be added:
// matp->temp_old (temperature)
// matp->temp_new
// matp->sound_speed_old
// matp->sound_speed_new
// matp->volume
// scratch pointer
// function pointers (lots to be done here)
for (int cell=0; cell < (int)workset.numCells; ++cell) {
for (int qp=0; qp < (int)numQPs; ++qp) {
// std::cout << "QP: " << qp << std::endl;
// Fill the following entries in matParams for call to LAMENT
//
// nelements - number of elements
// dt - time step, this one is tough because Albany does not currently have a concept of time step for implicit integration
// time - current time, again Albany does not currently have a concept of time for implicit integration
// strain_rate - what Sierra calls the rate of deformation, it is the symmetric part of the velocity gradient
// spin - anti-symmetric part of the velocity gradient
// left_stretch - found as V in the polar decomposition of the deformation gradient F = VR
// rotation - found as R in the polar decomposition of the deformation gradient F = VR
// state_old - material state data for previous time step (material dependent, none for lament::Elastic)
// state_new - material state data for current time step (material dependent, none for lament::Elastic)
// stress_old - stress at previous time step
// stress_new - stress at current time step, filled by material model
//
// The total deformation gradient is available as field data
//
// The velocity gradient is not available but can be computed at the logarithm of the incremental deformation gradient divided by deltaT
// The incremental deformation gradient is computed as F_new F_old^-1
// JTO: here is how I think this will go (of course the first two lines won't work as is...)
// Intrepid2::Tensor<RealType> F = newDefGrad;
// Intrepid2::Tensor<RealType> Fn = oldDefGrad;
// Intrepid2::Tensor<RealType> f = F*Intrepid2::inverse(Fn);
// Intrepid2::Tensor<RealType> V;
// Intrepid2::Tensor<RealType> R;
// boost::tie(V,R) = Intrepid2::polar_left(F);
// Intrepid2::Tensor<RealType> Vinc;
// Intrepid2::Tensor<RealType> Rinc;
// Intrepid2::Tensor<RealType> logVinc;
// boost::tie(Vinc,Rinc,logVinc) = Intrepid2::polar_left_logV(f)
// Intrepid2::Tensor<RealType> logRinc = Intrepid2::log_rotation(Rinc);
// Intrepid2::Tensor<RealType> logf = Intrepid2::bch(logVinc,logRinc);
// Intrepid2::Tensor<RealType> L = (1.0/deltaT)*logf;
// Intrepid2::Tensor<RealType> D = Intrepid2::sym(L);
// Intrepid2::Tensor<RealType> W = Intrepid2::skew(L);
// and then fill data into the vectors below
// new deformation gradient (the current deformation gradient as computed in the current configuration)
Intrepid2::Tensor<ScalarT> Fnew( 3, defGradField,cell,qp,0,0);
// old deformation gradient (deformation gradient at previous load step)
Intrepid2::Tensor<ScalarT> Fold( oldDefGrad(cell,qp,0,0), oldDefGrad(cell,qp,0,1), oldDefGrad(cell,qp,0,2),
oldDefGrad(cell,qp,1,0), oldDefGrad(cell,qp,1,1), oldDefGrad(cell,qp,1,2),
oldDefGrad(cell,qp,2,0), oldDefGrad(cell,qp,2,1), oldDefGrad(cell,qp,2,2) );
// incremental deformation gradient
Intrepid2::Tensor<ScalarT> Finc = Fnew * Intrepid2::inverse(Fold);
// DEBUGGING //
//if(cell==0 && qp==0){
// std::cout << "Fnew(0,0) " << Fnew(0,0) << endl;
// std::cout << "Fnew(1,0) " << Fnew(1,0) << endl;
// std::cout << "Fnew(2,0) " << Fnew(2,0) << endl;
// std::cout << "Fnew(0,1) " << Fnew(0,1) << endl;
// std::cout << "Fnew(1,1) " << Fnew(1,1) << endl;
// std::cout << "Fnew(2,1) " << Fnew(2,1) << endl;
// std::cout << "Fnew(0,2) " << Fnew(0,2) << endl;
// std::cout << "Fnew(1,2) " << Fnew(1,2) << endl;
// std::cout << "Fnew(2,2) " << Fnew(2,2) << endl;
//}
// END DEBUGGING //
// left stretch V, and rotation R, from left polar decomposition of new deformation gradient
Intrepid2::Tensor<ScalarT> V(3), R(3), U(3);
boost::tie(V,R) = Intrepid2::polar_left(Fnew);
//V = R * U * transpose(R);
// DEBUGGING //
//if(cell==0 && qp==0){
// std::cout << "U(0,0) " << U(0,0) << endl;
// std::cout << "U(1,0) " << U(1,0) << endl;
// std::cout << "U(2,0) " << U(2,0) << endl;
// std::cout << "U(0,1) " << U(0,1) << endl;
// std::cout << "U(1,1) " << U(1,1) << endl;
// std::cout << "U(2,1) " << U(2,1) << endl;
// std::cout << "U(0,2) " << U(0,2) << endl;
// std::cout << "U(1,2) " << U(1,2) << endl;
// std::cout << "U(2,2) " << U(2,2) << endl;
// std::cout << "========\n";
// std::cout << "V(0,0) " << V(0,0) << endl;
// std::cout << "V(1,0) " << V(1,0) << endl;
// std::cout << "V(2,0) " << V(2,0) << endl;
// std::cout << "V(0,1) " << V(0,1) << endl;
// std::cout << "V(1,1) " << V(1,1) << endl;
// std::cout << "V(2,1) " << V(2,1) << endl;
// std::cout << "V(0,2) " << V(0,2) << endl;
// std::cout << "V(1,2) " << V(1,2) << endl;
// std::cout << "V(2,2) " << V(2,2) << endl;
// std::cout << "========\n";
// std::cout << "R(0,0) " << R(0,0) << endl;
// std::cout << "R(1,0) " << R(1,0) << endl;
// std::cout << "R(2,0) " << R(2,0) << endl;
// std::cout << "R(0,1) " << R(0,1) << endl;
// std::cout << "R(1,1) " << R(1,1) << endl;
// std::cout << "R(2,1) " << R(2,1) << endl;
// std::cout << "R(0,2) " << R(0,2) << endl;
// std::cout << "R(1,2) " << R(1,2) << endl;
// std::cout << "R(2,2) " << R(2,2) << endl;
//}
// END DEBUGGING //
// incremental left stretch Vinc, incremental rotation Rinc, and log of incremental left stretch, logVinc
Intrepid2::Tensor<ScalarT> Uinc(3), Vinc(3), Rinc(3), logVinc(3);
//boost::tie(Vinc,Rinc,logVinc) = Intrepid2::polar_left_logV(Finc);
boost::tie(Vinc,Rinc) = Intrepid2::polar_left(Finc);
//Vinc = Rinc * Uinc * transpose(Rinc);
logVinc = Intrepid2::log(Vinc);
// log of incremental rotation
Intrepid2::Tensor<ScalarT> logRinc = Intrepid2::log_rotation(Rinc);
// log of incremental deformation gradient
Intrepid2::Tensor<ScalarT> logFinc = Intrepid2::bch(logVinc, logRinc);
// velocity gradient
Intrepid2::Tensor<ScalarT> L = (1.0/deltaT)*logFinc;
// strain rate (a.k.a rate of deformation)
Intrepid2::Tensor<ScalarT> D = Intrepid2::sym(L);
// spin
Intrepid2::Tensor<ScalarT> W = Intrepid2::skew(L);
// load everything into the Lament data structure
strainRate[0] = ( D(0,0) );
strainRate[1] = ( D(1,1) );
strainRate[2] = ( D(2,2) );
strainRate[3] = ( D(0,1) );
strainRate[4] = ( D(1,2) );
strainRate[5] = ( D(2,0) );
spin[0] = ( W(0,1) );
spin[1] = ( W(1,2) );
spin[2] = ( W(2,0) );
leftStretch[0] = ( V(0,0) );
leftStretch[1] = ( V(1,1) );
leftStretch[2] = ( V(2,2) );
leftStretch[3] = ( V(0,1) );
leftStretch[4] = ( V(1,2) );
leftStretch[5] = ( V(2,0) );
rotation[0] = ( R(0,0) );
rotation[1] = ( R(1,1) );
rotation[2] = ( R(2,2) );
rotation[3] = ( R(0,1) );
rotation[4] = ( R(1,2) );
rotation[5] = ( R(2,0) );
rotation[6] = ( R(1,0) );
rotation[7] = ( R(2,1) );
rotation[8] = ( R(0,2) );
defGrad[0] = ( Fnew(0,0) );
defGrad[1] = ( Fnew(1,1) );
defGrad[2] = ( Fnew(2,2) );
defGrad[3] = ( Fnew(0,1) );
defGrad[4] = ( Fnew(1,2) );
defGrad[5] = ( Fnew(2,0) );
defGrad[6] = ( Fnew(1,0) );
defGrad[7] = ( Fnew(2,1) );
defGrad[8] = ( Fnew(0,2) );
stressOld[0] = oldStress(cell,qp,0,0);
stressOld[1] = oldStress(cell,qp,1,1);
stressOld[2] = oldStress(cell,qp,2,2);
stressOld[3] = oldStress(cell,qp,0,1);
stressOld[4] = oldStress(cell,qp,1,2);
stressOld[5] = oldStress(cell,qp,2,0);
// copy data from the state manager to the LAMENT data structure
for(int iVar=0 ; iVar<numStateVariables ; iVar++){
const std::string& variableName = this->lamentMaterialModelStateVariableNames[iVar]+"_old";
Albany::MDArray stateVar = (*workset.stateArrayPtr)[variableName];
stateOld[iVar] = stateVar(cell,qp);
}
// Make a call to the LAMENT material model to initialize the load step
this->lamentMaterialModel->loadStepInit(matp.get());
// Get the stress from the LAMENT material
// std::cout << "about to call lament->getStress()" << std::endl;
this->lamentMaterialModel->getStress(matp.get());
// std::cout << "after calling lament->getStress() 2" << std::endl;
// rotate to get the Cauchy Stress
Intrepid2::Tensor<ScalarT> lameStress( stressNew[0], stressNew[3], stressNew[5],
stressNew[3], stressNew[1], stressNew[4],
stressNew[5], stressNew[4], stressNew[2] );
Intrepid2::Tensor<ScalarT> cauchy = R * lameStress * transpose(R);
// DEBUGGING //
//if(cell==0 && qp==0){
// std::cout << "check strainRate[0] " << strainRate[0] << endl;
// std::cout << "check strainRate[1] " << strainRate[1] << endl;
// std::cout << "check strainRate[2] " << strainRate[2] << endl;
// std::cout << "check strainRate[3] " << strainRate[3] << endl;
// std::cout << "check strainRate[4] " << strainRate[4] << endl;
// std::cout << "check strainRate[5] " << strainRate[5] << endl;
//}
// END DEBUGGING //
// Copy the new stress into the stress field
for (int i(0); i < 3; ++i)
for (int j(0); j < 3; ++j)
stressField(cell,qp,i,j) = cauchy(i,j);
// stressField(cell,qp,0,0) = stressNew[0];
// stressField(cell,qp,1,1) = stressNew[1];
// stressField(cell,qp,2,2) = stressNew[2];
// stressField(cell,qp,0,1) = stressNew[3];
// stressField(cell,qp,1,2) = stressNew[4];
// stressField(cell,qp,2,0) = stressNew[5];
// stressField(cell,qp,1,0) = stressNew[3];
// stressField(cell,qp,2,1) = stressNew[4];
// stressField(cell,qp,0,2) = stressNew[5];
// copy state_new data from the LAMENT data structure to the corresponding state variable field
for(int iVar=0 ; iVar<numStateVariables ; iVar++)
this->lamentMaterialModelStateVariableFields[iVar](cell,qp) = stateNew[iVar];
// DEBUGGING //
//if(cell==0 && qp==0){
// std::cout << "stress(0,0) " << this->stressField(cell,qp,0,0) << endl;
// std::cout << "stress(1,1) " << this->stressField(cell,qp,1,1) << endl;
// std::cout << "stress(2,2) " << this->stressField(cell,qp,2,2) << endl;
// std::cout << "stress(0,1) " << this->stressField(cell,qp,0,1) << endl;
// std::cout << "stress(1,2) " << this->stressField(cell,qp,1,2) << endl;
// std::cout << "stress(0,2) " << this->stressField(cell,qp,0,2) << endl;
// std::cout << "stress(1,0) " << this->stressField(cell,qp,1,0) << endl;
// std::cout << "stress(2,1) " << this->stressField(cell,qp,2,1) << endl;
// std::cout << "stress(2,0) " << this->stressField(cell,qp,2,0) << endl;
// //}
// // END DEBUGGING //
}
}
}
