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domain_akantu.hh
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/**
* @file domain_akantu.hh
*
* @author Guillaume Anciaux <guillaume.anciaux@epfl.ch>
* @author Till Junge <till.junge@epfl.ch>
* @author Srinivasa Babu Ramisetti <srinivasa.ramisetti@epfl.ch>
*
* @date Mon Jul 21 10:32:33 2014
*
* @brief This is the model wrapping Akantu
*
* @section LICENSE
*
* Copyright (©) 2010-2011 EPFL (Ecole Polytechnique Fédérale de Lausanne)
* Laboratory (LSMS - Laboratoire de Simulation en Mécanique des Solides)
*
* LibMultiScale 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 3 of the License, or (at your option) any
* later version.
*
* LibMultiScale 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.
*
* You should have received a copy of the GNU Lesser General Public License
* along with LibMultiScale. If not, see <http://www.gnu.org/licenses/>.
*
*/
#ifndef __LIBMULTISCALE_DOMAIN_AKANTU_HH__
#define __LIBMULTISCALE_DOMAIN_AKANTU_HH__
/* -------------------------------------------------------------------------- */
#include "container_akantu.hh"
#include "domain_continuum.hh"
#include "parser.hh"
#include "ref_elem_akantu.hh"
/* -------------------------------------------------------------------------- */
#include <memory>
/* -------------------------------------------------------------------------- */
namespace akantu {
class Mesh;
class SolidMechanicsModel;
class HeatTransferModel;
} // namespace akantu
/* -------------------------------------------------------------------------- */
__BEGIN_LIBMULTISCALE__
/**
* Class DomainAkantu
*/
template <UInt Dim>
class DomainAkantu : public DomainContinuum<ContainerElemsAkantu<Dim>,
ContainerNodesAkantu<Dim>, Dim> {
public:
friend class DomainContinuumInterface;
DomainAkantu(LMID ID, CommGroup GID);
~DomainAkantu();
//! init function
virtual void init();
//! initialize the Akantu material objects
void initMaterial();
//! initialize the Akantu Mesh object
void initMesh();
void performStep1() override;
void performStep2() override;
void performStep3() override;
//! scaling the mesh
void scaleMesh();
//! shifting the mesh
void shiftMesh();
//! get initial position vector
auto &getP0() { return mesh->getNodes(); };
//! get initial position vector
auto &getV() { return model->getVelocity(); };
//! get displacement vector
auto &getU() { return model->getDisplacement(); };
//! get displacement vector
auto &getAcceleration() { return model->getAcceleration(); };
//! get displacement vector
auto &getExternalForce() { return model->getExternalForce(); };
//! get displacement vector
auto &getInternalForce() { return model->getInternalForce(); };
//! get mass
auto &getMass() { return model->getMass(); };
//! \todo not yet implemented
Real getEpot();
//! set current step to a given value
void setCurrentStep(UInt ts);
//! set timestep to a given value
void setTimeStep(Real ts);
//! get current step to a given value
UInt getCurrentStep();
Cube getDomainBoundingBox() override;
Cube getSubDomainBoundingBox() override;
void setDomainBoundingBox(const Cube &) override;
void setSubDomainBoundingBox(const Cube &) override;
//! returns whether an md domain is perdiodic in direction dir
virtual bool isPeriodic(UInt dir) { return this->pbc[dir]; }
protected:
//! function for keyword parsing
void declareParams();
//! stores initial slave displacements
void buildSlaveDisplacements();
void checkBoundaryInputSanity();
void enableNeumanBndyConditions();
inline bool haveToApplyNeumann() { return this->surface_tag != ""; }
protected:
//! filename from which to load the mesh
std::string mesh_filename;
//! Akantu mesh object
std::unique_ptr<akantu::Mesh> mesh;
//! Akantu solidmechanics model
std::unique_ptr<akantu::SolidMechanicsModel> model;
//! filename from which to load the material object
std::string material_filename;
//! storage for pbc activation: one bool per direction
UInt pbc[3];
//! storage for scale factors: one real per direction
Quantity<Length, 3> scale;
//! storage for shift factors: one real per direction
Quantity<Length, 3> shift;
//! interatomic distance for the LJ linearization
Quantity<Length> r0;
//! cutoff radius for the LJ linearization
Quantity<Length> rcut;
//! epsilon energy parameter for the LJ linearization
Quantity<Energy> epsilon;
//! sigma distance parameter for the LJ linearization
Quantity<Length> sigma;
//! mass parameter for the LJ linearization
Quantity<Mass> atomic_mass;
//! for the 1d case parameter to control the mesh generation
Quantity<Length> elem_size;
/*! uniform traction or stress to be applied as traction (for traction
* boundary conditions)*/
Quantity<Pressure, 3 * Dim> boundary_stress;
/*! Surface tag for the boundary where traction should be applied (tags
* in the mesh have to repect gmsh convention: contiguous, starting at 1)
*/
std::string surface_tag;
//! starting time for application of boundary conditions
UInt boundary_start;
//! type of neumann boundary condition. can be neglected if not used
bool boundary_is_traction;
//! whether the neumann conditions have already been applied
bool boundary_has_been_applied;
//! akantu parser
akantu::Parser akantu_parser;
//-------------------------
// old dynamic akantu
//-------------------------
//! Akantu heat model
akantu::HeatTransferModel *heat_transfer_model;
//! filename from which to load the material object
std::string heat_transfer_material_filename;
//! flag to switch heat transfer model
bool heat_transfer_flag;
//! temperature
akantu::Array<Real> *temperature;
//! temperature rate
akantu::Array<Real> *temperature_rate;
//! heat flux
akantu::Array<Real> *heat_flux;
//! dirichlet boundary geometry for heat model
LMID heat_boundary_geom;
public:
//! init heat transfer model
void initHeatTransfer();
//! get temperature
auto &getT() { return *temperature; };
//! get heat flux
auto &getHeatFlux() { return *heat_flux; };
};
/* -------------------------------------------------------------------------- */
__END_LIBMULTISCALE__
#endif /* __LIBMULTISCALE_DOMAIN_AKANTU_HH__ */

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