double Hamiltonian::computeLocalEnergy(std::vector<Particle*> particles) {
if (m_useNumerical) {
m_kineticEnergy = computeKineticEnergy(particles);
} else {
m_kineticEnergy = computeAnalyticalKineticEnergy(particles);
}
m_potentialEnergy = computePotentialEnergy(particles);
return m_kineticEnergy + m_potentialEnergy;
}
double InteractingHarmonicOscillator::computeLocalEnergy(std::vector<Particle *> particles)
{
double potentialEnergy = 0;
double kineticEnergy = 0;
// Compute external potential energy
double r2 = 0;
for (int i=0; i<m_system->getNumberOfParticles(); i++){
for (int j=0; j<m_system->getNumberOfDimensions(); j++){
if (j<2){
r2 += particles[i]->getPosition()[j] * particles[i]->getPosition()[j];
}
else{
r2 += particles[i]->getPosition()[j] * particles[i]->getPosition()[j] * m_gamma2;
}
}
}
potentialEnergy = 0.5*r2;
// Compute internal potential energy
double dr2 = 0;
for (int i=0; i<m_system->getNumberOfParticles(); i++){
for (int j=i+1; j<m_system->getNumberOfParticles(); j++){
dr2=0;
for (int k=0; k<m_system->getNumberOfDimensions(); k++){
dr2 += (particles[j]->getPosition()[k] - particles[i]->getPosition()[k]) *
(particles[j]->getPosition()[k] - particles[i]->getPosition()[k]) ;
}
double absdr = sqrt(dr2);
if (absdr < m_a){
potentialEnergy += 1e10;
}
}
}
kineticEnergy = computeKineticEnergy(particles);
//cout << setw(10) << " kinetic: " << setw(10) << setprecision(3) << left << kineticEnergy;
//cout << setw(12) << " potential: " << setw(10) << setprecision(3) << left << potentialEnergy;
//cout << setw(8) << " total: " << setw(10) << setprecision(3) << left << kineticEnergy + potentialEnergy << endl;
return kineticEnergy + potentialEnergy;
}
double TwoBodyQuantumDotHamiltonian::computeLocalEnergy(std::vector<Particle *> particles)
{
double kinetic = computeKineticEnergy(particles);
double r1 = 0;
double r2 = 0;
double r12 = 0;
for (int i=0; i<m_system->getNumberOfDimensions(); i++){
r1 += particles[0]->getPosition()[i]*particles[0]->getPosition()[i];
r2 += particles[1]->getPosition()[i]*particles[1]->getPosition()[i];
r12 += (particles[0]->getPosition()[i]-particles[1]->getPosition()[i])*
(particles[0]->getPosition()[i]-particles[1]->getPosition()[i]);
}
r12 = sqrt(r12);
return kinetic + 0.5*m_omega*m_omega*(r1+r2) + 1/r12;
}
//! Compute the global kinetic energy
int PeridigmNS::Compute_Global_Kinetic_Energy::compute( Teuchos::RCP< std::vector<PeridigmNS::Block> > blocks ) const
{
bool storeLocal = false;
int result = computeKineticEnergy(blocks, storeLocal);
return result;
}
bool Law2_ScGeom_JCFpmPhys_JointedCohesiveFrictionalPM::go(shared_ptr<IGeom>& ig, shared_ptr<IPhys>& ip, Interaction* contact){
const int &id1 = contact->getId1();
const int &id2 = contact->getId2();
ScGeom* geom = static_cast<ScGeom*>(ig.get());
JCFpmPhys* phys = static_cast<JCFpmPhys*>(ip.get());
Body* b1 = Body::byId(id1,scene).get();
Body* b2 = Body::byId(id2,scene).get();
Real Dtensile=phys->FnMax/phys->kn;
string fileCracks = "cracks_"+Key+".txt";
string fileMoments = "moments_"+Key+".txt";
/// Defines the interparticular distance used for computation
Real D = 0;
/*this is for setting the equilibrium distance between all cohesive elements at the first contact detection*/
if ( contact->isFresh(scene) ) {
phys->normalForce = Vector3r::Zero();
phys->shearForce = Vector3r::Zero();
if ((smoothJoint) && (phys->isOnJoint)) {
phys->jointNormal = geom->normal.dot(phys->jointNormal)*phys->jointNormal; //to set the joint normal colinear with the interaction normal
phys->jointNormal.normalize();
phys->initD = std::abs((b1->state->pos - b2->state->pos).dot(phys->jointNormal)); // to set the initial gap as the equilibrium gap
} else {
phys->initD = geom->penetrationDepth;
}
}
if ( smoothJoint && phys->isOnJoint ) {
if ( phys->more || ( phys-> jointCumulativeSliding > (2*min(geom->radius1,geom->radius2)) ) ) {
if (!neverErase) return false;
else {
phys->shearForce = Vector3r::Zero();
phys->normalForce = Vector3r::Zero();
phys->isCohesive =0;
phys->FnMax = 0;
phys->FsMax = 0;
return true;
}
} else {
D = phys->initD - std::abs((b1->state->pos - b2->state->pos).dot(phys->jointNormal));
}
} else {
D = geom->penetrationDepth - phys->initD;
}
phys->crackJointAperture = D<0? -D : 0.; // for DFNFlow
if (!phys->momentBroken && useStrainEnergy) phys->strainEnergy = 0.5*((pow(phys->normalForce.norm(),2)/phys->kn) + (pow(phys->shearForce.norm(),2)/phys->ks));
else if (!phys->momentBroken && !useStrainEnergy) computeKineticEnergy(phys, b1, b2);
//Compute clustered acoustic emission events:
if (recordMoments && !neverErase){
cerr << "Acoustic emissions algorithm requires neverErase=True, changing value from False to True" << endl;
neverErase=true;
}
if (phys->momentBroken && recordMoments && !phys->momentCalculated){
if (phys->originalClusterEvent && !phys->computedCentroid) computeCentroid(phys);
if (phys->originalClusterEvent) computeClusteredMoment(phys);
if (phys->momentCalculated && phys->momentMagnitude!=0){
std::ofstream file (fileMoments.c_str(), !momentsFileExist ? std::ios::trunc : std::ios::app);
if(file.tellp()==0){ file <<"i p0 p1 p2 moment numInts eventNum time beginTime"<<endl; }
file << boost::lexical_cast<string> ( scene->iter )<<" "<< boost::lexical_cast<string> ( phys->momentCentroid[0] ) <<" "<< boost::lexical_cast<string> ( phys->momentCentroid[1] ) <<" "<< boost::lexical_cast<string> ( phys->momentCentroid[2] ) <<" "<< boost::lexical_cast<string> ( phys->momentMagnitude ) << " " << boost::lexical_cast<string> ( phys->clusterInts.size() ) << " " << boost::lexical_cast<string> ( phys->eventNumber ) << " " << boost::lexical_cast<string> (scene->time) << " " << boost::lexical_cast<string> (phys->eventBeginTime) << endl;
momentsFileExist=true;
}
}
/* Determination of interaction */
if (D < 0) { //tensile configuration
if ( !phys->isCohesive) {
if (!neverErase) return false;
else {
phys->shearForce = Vector3r::Zero();
phys->normalForce = Vector3r::Zero();
phys->isCohesive =0;
phys->FnMax = 0;
phys->FsMax = 0;
return true;
}
}
if ( phys->isCohesive && (phys->FnMax>0) && (std::abs(D)>Dtensile) ) {
nbTensCracks++;
phys->isCohesive = 0;
phys->FnMax = 0;
phys->FsMax = 0;
/// Do we need both the following lines?
phys->breakOccurred = true; // flag to trigger remesh for DFNFlowEngine
phys->isBroken = true; // flag for DFNFlowEngine
// update body state with the number of broken bonds -> do we really need that?
JCFpmState* st1=dynamic_cast<JCFpmState*>(b1->state.get());
JCFpmState* st2=dynamic_cast<JCFpmState*>(b2->state.get());
st1->nbBrokenBonds++;
st2->nbBrokenBonds++;
st1->damageIndex+=1.0/st1->nbInitBonds;
st2->damageIndex+=1.0/st2->nbInitBonds;
phys->momentBroken = true;
Real scalarNF=phys->normalForce.norm();
Real scalarSF=phys->shearForce.norm();
totalTensCracksE+=0.5*( ((scalarNF*scalarNF)/phys->kn) + ((scalarSF*scalarSF)/phys->ks) );
totalCracksSurface += phys->crossSection;
if (recordCracks){
std::ofstream file (fileCracks.c_str(), !cracksFileExist ? std::ios::trunc : std::ios::app);
if(file.tellp()==0){ file <<"iter time p0 p1 p2 type size norm0 norm1 norm2 nrg onJnt"<<endl; }
Vector3r crackNormal=Vector3r::Zero();
if ((smoothJoint) && (phys->isOnJoint)) { crackNormal=phys->jointNormal; } else {crackNormal=geom->normal;}
file << boost::lexical_cast<string> ( scene->iter ) << " " << boost::lexical_cast<string> ( scene->time ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[0] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[1] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[2] ) <<" "<< 1 <<" "<< boost::lexical_cast<string> ( 0.5*(geom->radius1+geom->radius2) ) <<" "<< boost::lexical_cast<string> ( crackNormal[0] ) <<" "<< boost::lexical_cast<string> ( crackNormal[1] ) <<" "<< boost::lexical_cast<string> ( crackNormal[2] ) <<" "<< boost::lexical_cast<string> ( 0.5*( ((scalarNF*scalarNF)/phys->kn) + ((scalarSF*scalarSF)/phys->ks) ) ) <<" "<< boost::lexical_cast<string> ( phys->isOnJoint ) << endl;
}
if (recordMoments && !phys->momentCalculated){
checkForCluster(phys, geom, b1, b2, contact);
clusterInteractions(phys, contact);
computeTemporalWindow(phys, b1, b2);
}
cracksFileExist=true;
if (!neverErase) return false;
else {
phys->shearForce = Vector3r::Zero();
phys->normalForce = Vector3r::Zero();
return true;
}
}
}
/* NormalForce */
Real Fn = 0;
Fn = phys->kn*D;
/* ShearForce */
Vector3r& shearForce = phys->shearForce;
Real jointSliding=0;
if ((smoothJoint) && (phys->isOnJoint)) {
/// incremental formulation (OK?)
Vector3r relativeVelocity = (b2->state->vel - b1->state->vel); // angVel are not taken into account as particles on joint don't rotate ????
Vector3r slidingVelocity = relativeVelocity - phys->jointNormal.dot(relativeVelocity)*phys->jointNormal;
Vector3r incrementalSliding = slidingVelocity*scene->dt;
shearForce -= phys->ks*incrementalSliding;
jointSliding = incrementalSliding.norm();
phys->jointCumulativeSliding += jointSliding;
} else {
shearForce = geom->rotate(phys->shearForce);
const Vector3r& incrementalShear = geom->shearIncrement();
shearForce -= phys->ks*incrementalShear;
}
/* Mohr-Coulomb criterion */
Real maxFs = phys->FsMax + Fn*phys->tanFrictionAngle;
Real scalarShearForce = shearForce.norm();
if (scalarShearForce > maxFs) {
if (scalarShearForce != 0)
shearForce*=maxFs/scalarShearForce;
else
shearForce=Vector3r::Zero();
if ((smoothJoint) && (phys->isOnJoint)) {phys->dilation=phys->jointCumulativeSliding*phys->tanDilationAngle-D; phys->initD+=(jointSliding*phys->tanDilationAngle);}
// if (!phys->isCohesive) {
// nbSlips++;
// totalSlipE+=((1./phys->ks)*(trialForce-shearForce))/*plastic disp*/.dot(shearForce)/*active force*/;
//
// if ( (recordSlips) && (maxFs!=0) ) {
// std::ofstream file (fileCracks.c_str(), !cracksFileExist ? std::ios::trunc : std::ios::app);
// if(file.tellp()==0){ file <<"iter time p0 p1 p2 type size norm0 norm1 norm2 nrg"<<endl; }
// Vector3r crackNormal=Vector3r::Zero();
// if ((smoothJoint) && (phys->isOnJoint)) { crackNormal=phys->jointNormal; } else {crackNormal=geom->normal;}
// file << boost::lexical_cast<string> ( scene->iter ) <<" " << boost::lexical_cast<string> ( scene->time ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[0] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[1] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[2] ) <<" "<< 0 <<" "<< boost::lexical_cast<string> ( 0.5*(geom->radius1+geom->radius2) ) <<" "<< boost::lexical_cast<string> ( crackNormal[0] ) <<" "<< boost::lexical_cast<string> ( crackNormal[1] ) <<" "<< boost::lexical_cast<string> ( crackNormal[2] ) <<" "<< boost::lexical_cast<string> ( ((1./phys->ks)*(trialForce-shearForce)).dot(shearForce) ) << endl;
// }
// cracksFileExist=true;
// }
if ( phys->isCohesive ) {
nbShearCracks++;
phys->isCohesive = 0;
phys->FnMax = 0;
phys->FsMax = 0;
/// Do we need both the following lines?
phys->breakOccurred = true; // flag to trigger remesh for DFNFlowEngine
phys->isBroken = true; // flag for DFNFlowEngine
phys->momentBroken = true;
// update body state with the number of broken bonds -> do we really need that?
JCFpmState* st1=dynamic_cast<JCFpmState*>(b1->state.get());
JCFpmState* st2=dynamic_cast<JCFpmState*>(b2->state.get());
st1->nbBrokenBonds++;
st2->nbBrokenBonds++;
st1->damageIndex+=1.0/st1->nbInitBonds;
st2->damageIndex+=1.0/st2->nbInitBonds;
Real scalarNF=phys->normalForce.norm();
Real scalarSF=phys->shearForce.norm();
totalShearCracksE+=0.5*( ((scalarNF*scalarNF)/phys->kn) + ((scalarSF*scalarSF)/phys->ks) );
totalCracksSurface += phys->crossSection;
if (recordCracks){
std::ofstream file (fileCracks.c_str(), !cracksFileExist ? std::ios::trunc : std::ios::app);
if(file.tellp()==0){ file <<"iter time p0 p1 p2 type size norm0 norm1 norm2 nrg onJnt"<<endl; }
Vector3r crackNormal=Vector3r::Zero();
if ((smoothJoint) && (phys->isOnJoint)) { crackNormal=phys->jointNormal; } else {crackNormal=geom->normal;}
file << boost::lexical_cast<string> ( scene->iter ) << " " << boost::lexical_cast<string> ( scene->time ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[0] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[1] ) <<" "<< boost::lexical_cast<string> ( geom->contactPoint[2] ) <<" "<< 2 <<" "<< boost::lexical_cast<string> ( 0.5*(geom->radius1+geom->radius2) ) <<" "<< boost::lexical_cast<string> ( crackNormal[0] ) <<" "<< boost::lexical_cast<string> ( crackNormal[1] ) <<" "<< boost::lexical_cast<string> ( crackNormal[2] ) <<" "<< boost::lexical_cast<string> ( 0.5*( ((scalarNF*scalarNF)/phys->kn) + ((scalarSF*scalarSF)/phys->ks) ) ) <<" "<< boost::lexical_cast<string> ( phys->isOnJoint ) << endl;
}
cracksFileExist=true;
// // option 1: delete contact whatsoever (if in compression, it will be detected as a new contact at the next timestep -> actually, not necesarily because of the near neighbour interaction: there could be a gap between the bonded particles and thus a broken contact may not be frictional at the next timestep if the detection is done for strictly contacting particles...) -> to TEST
// if (!neverErase) return false;
// else {
// phys->shearForce = Vector3r::Zero();
// phys->normalForce = Vector3r::Zero();
// return true;
// }
if (recordMoments && !phys->momentCalculated){
checkForCluster(phys, geom, b1, b2, contact);
clusterInteractions(phys, contact);
computeTemporalWindow(phys, b1, b2);
}
// option 2: delete contact if in tension
// shearForce *= Fn*phys->tanFrictionAngle/scalarShearForce; // now or at the next timestep? should not be very different -> to TEST
if ( D < 0 ) { // spheres do not touch
if (!neverErase) return false;
else {
phys->shearForce = Vector3r::Zero();
phys->normalForce = Vector3r::Zero();
return true;
}
}
}
}
/* Apply forces */
if ((smoothJoint) && (phys->isOnJoint)) { phys->normalForce = Fn*phys->jointNormal; } else { phys->normalForce = Fn*geom->normal; }
Vector3r f = phys->normalForce + shearForce;
/// applyForceAtContactPoint computes torque also and, for now, we don't want rotation for particles on joint (some errors in calculation due to specific geometry)
//applyForceAtContactPoint(f, geom->contactPoint, I->getId2(), b2->state->pos, I->getId1(), b1->state->pos, scene);
scene->forces.addForce (id1,-f);
scene->forces.addForce (id2, f);
// simple solution to avoid torque computation for particles interacting on a smooth joint
if ( (phys->isOnJoint)&&(smoothJoint) ) return true;
/// those lines are needed if rootBody->forces.addForce and rootBody->forces.addMoment are used instead of applyForceAtContactPoint -> NOTE need to check for accuracy!!!
scene->forces.addTorque(id1,(geom->radius1-0.5*geom->penetrationDepth)* geom->normal.cross(-f));
scene->forces.addTorque(id2,(geom->radius2-0.5*geom->penetrationDepth)* geom->normal.cross(-f));
return true;
}
//==============================================================================
double MetaSkeleton::getKineticEnergy() const
{
return computeKineticEnergy();
}
//==============================================================================
double MetaSkeleton::computeLagrangian() const
{
return computeKineticEnergy() - computePotentialEnergy();
}
scalar TwoDScene::computeTotalEnergy() const
{
return computeKineticEnergy()+computePotentialEnergy();
}
