PairEventData
DynNewtonian::DSMCSpheresRun(Particle& p1, Particle& p2, const double& e, Vector rij) const
{
updateParticlePair(Sim->particles[p1.getID()], Sim->particles[p2.getID()]);
Vector vij = p1.getVelocity() - p2.getVelocity();
Sim->BCs->applyBC(rij, vij);
double rvdot = (rij | vij);
PairEventData retVal(p1, p2,
*Sim->species[p1],
*Sim->species[p2],
CORE);
retVal.rij = rij;
retVal.rvdot = rvdot;
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(p1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(p2.getID());
double mu = p1Mass * p2Mass/(p1Mass+p2Mass);
retVal.dP = rij * ((1.0 + e) * mu * rvdot / rij.nrm2());
//This function must edit particles so it overrides the const!
p1.getVelocity() -= retVal.dP / p1Mass;
p2.getVelocity() += retVal.dP / p2Mass;
retVal.particle1_.setDeltaKE(0.5 * p1Mass * (p1.getVelocity().nrm2()
- retVal.particle1_.getOldVel().nrm2()));
retVal.particle2_.setDeltaKE(0.5 * p2Mass * (p2.getVelocity().nrm2()
- retVal.particle2_.getOldVel().nrm2()));
return retVal;
}
PairEventData
DynCompression::SmoothSpheresColl(const IntEvent& event, const double& e, const double& d2, const EEventType& eType) const
{
Particle& particle1 = Sim->particles[event.getParticle1ID()];
Particle& particle2 = Sim->particles[event.getParticle2ID()];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2, *Sim->species[particle1], *Sim->species[particle2], eType);
Sim->BCs->applyBC(retVal.rij, retVal.vijold);
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2.getID());
double r2 = retVal.rij.nrm2();
retVal.rvdot = (retVal.rij | retVal.vijold);
double mu = 1.0 / ((1.0 / p1Mass) + (1.0 / p2Mass));
bool infinite_masses = (p1Mass == HUGE_VAL) && (p2Mass == HUGE_VAL);
if (infinite_masses)
{
p1Mass = p2Mass = 1;
mu = 0.5;
}
retVal.impulse = retVal.rij * ((1.0 + e) * mu * (retVal.rvdot - growthRate * sqrt(d2 * r2)) / retVal.rij.nrm2());
particle1.getVelocity() -= retVal.impulse / p1Mass;
particle2.getVelocity() += retVal.impulse / p2Mass;
//If both particles have infinite mass we pretend no momentum was transferred
retVal.impulse *= !infinite_masses;
return retVal;
}
PairEventData
DynNewtonian::parallelCubeColl(const IntEvent& event, const double& e, const double&, const EEventType& eType) const
{
Particle& particle1 = Sim->particles[event.getParticle1ID()];
Particle& particle2 = Sim->particles[event.getParticle2ID()];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2,
*Sim->species[particle1],
*Sim->species[particle2],
eType);
Sim->BCs->applyBC(retVal.rij, retVal.vijold);
size_t dim(0);
for (size_t iDim(1); iDim < NDIM; ++iDim)
if (fabs(retVal.rij[dim]) < fabs(retVal.rij[iDim])) dim = iDim;
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2.getID());
double mu = p1Mass * p2Mass/ (p1Mass + p2Mass);
Vector collvec(0,0,0);
if (retVal.rij[dim] < 0)
collvec[dim] = -1;
else
collvec[dim] = 1;
retVal.rvdot = (retVal.rij | retVal.vijold);
retVal.dP = collvec * (1.0 + e) * mu * (collvec | retVal.vijold);
//This function must edit particles so it overrides the const!
particle1.getVelocity() -= retVal.dP / p1Mass;
particle2.getVelocity() += retVal.dP / p2Mass;
retVal.particle1_.setDeltaKE(0.5 * p1Mass * (particle1.getVelocity().nrm2()
- retVal.particle1_.getOldVel().nrm2()));
retVal.particle2_.setDeltaKE(0.5 * p2Mass * (particle2.getVelocity().nrm2()
- retVal.particle2_.getOldVel().nrm2()));
return retVal;
}
PairEventData
DynGravity::SmoothSpheresColl(Event& event, const double& ne,
const double& d2, const EEventType& eType) const
{
Particle& particle1 = Sim->particles[event._particle1ID];
Particle& particle2 = Sim->particles[event._particle2ID];
updateParticlePair(particle1, particle2);
Vector rij = particle1.getPosition() - particle2.getPosition(),
vij = particle1.getVelocity() - particle2.getVelocity();
Sim->BCs->applyBC(rij, vij);
//Check if two particles are collapsing
//First, the elastic V calculation
double vnrm = std::fabs((rij | vij) / rij.nrm());
double e = ne;
if (vnrm < elasticV) e = 1.0;
//Check if a particle is collapsing on a static particle
if (!particle1.testState(Particle::DYNAMIC)
|| !particle2.testState(Particle::DYNAMIC))
{
double gnrm = g.nrm();
if (gnrm > 0)
if (std::fabs((vij | g) / gnrm) < elasticV) e = 1.0;
}
//Now the tc model;
if (_tc > 0)
{
if ((Sim->systemTime - _tcList[particle1.getID()] < _tc)
|| (Sim->systemTime - _tcList[particle2.getID()] < _tc))
e = 1.0;
_tcList[particle1.getID()] = Sim->systemTime;
_tcList[particle2.getID()] = Sim->systemTime;
}
return DynNewtonian::SmoothSpheresColl(event, e, d2, eType);
}
bool
DynNewtonian::DSMCSpheresTest(Particle& p1, Particle& p2, double& maxprob, const double& factor, Vector rij) const
{
updateParticlePair(Sim->particles[p1.getID()], Sim->particles[p2.getID()]);
Vector vij = p1.getVelocity() - p2.getVelocity();
Sim->BCs->applyBC(rij, vij);
//Sim->BCs->applyBC(pdat.rij, pdat.vij);
double rvdot = (rij | vij);
if (rvdot > 0)
return false; //Positive rvdot
double prob = factor * (-rvdot);
if (prob > maxprob)
maxprob = prob;
return prob > Sim->uniform_sampler() * maxprob;
}
PairEventData
LSLLOD::DSMCSpheresRun(const Particle& p1,
const Particle& p2,
const double& e,
CPDData& pdat) const
{
updateParticlePair(p1, p2);
PairEventData retVal(p1, p2,
Sim->dynamics.getSpecies(p1),
Sim->dynamics.getSpecies(p2),
CORE);
retVal.vijold = pdat.vij;
retVal.rij = pdat.rij;
retVal.rvdot = pdat.rvdot;
double p1Mass = retVal.particle1_.getSpecies().getMass(p1.getID());
double p2Mass = retVal.particle2_.getSpecies().getMass(p2.getID());
double mu = p1Mass * p2Mass/(p1Mass+p2Mass);
retVal.dP = retVal.rij * ((1.0 + e) * mu * retVal.rvdot
/ retVal.rij.nrm2());
//This function must edit particles so it overrides the const!
const_cast<Particle&>(p1).getVelocity() -= retVal.dP / p1Mass;
const_cast<Particle&>(p2).getVelocity() += retVal.dP / p2Mass;
retVal.particle1_.setDeltaKE(0.5 * p1Mass
* (p1.getVelocity().nrm2()
- retVal.particle1_.getOldVel().nrm2()));
retVal.particle2_.setDeltaKE(0.5 * p2Mass
* (p2.getVelocity().nrm2()
- retVal.particle2_.getOldVel().nrm2()));
return retVal;
}
PairEventData
DynNewtonianMCCMap::SphereWellEvent(Event& event, const double& deltaKE, const double &, size_t newstate) const
{
Particle& particle1 = Sim->particles[event._particle1ID];
Particle& particle2 = Sim->particles[event._particle2ID];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2, *Sim->species(particle1), *Sim->species(particle2), event._type);
Sim->BCs->applyBC(retVal.rij,retVal.vijold);
retVal.rvdot = (retVal.rij | retVal.vijold);
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1);
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2);
double mu = p1Mass * p2Mass / (p1Mass + p2Mass);
double R2 = retVal.rij.nrm2();
//Calculate the deformed energy change of the system (the one used in the dynamics)
double MCDeltaKE = deltaKE;
//If there are entries for the current and possible future energy, then take them into account
detail::CaptureMap contact_map = *_interaction;
//Add the current bias potential
MCDeltaKE += W(contact_map) * Sim->ensemble->getEnsembleVals()[2];
//subtract the possible bias potential in the new state
contact_map[detail::CaptureMap::key_type(particle1, particle2)] = newstate;
MCDeltaKE -= W(contact_map) * Sim->ensemble->getEnsembleVals()[2];
//Test if the deformed energy change allows a capture event to occur
double sqrtArg = retVal.rvdot * retVal.rvdot + 2.0 * R2 * MCDeltaKE / mu;
if ((MCDeltaKE < 0) && (sqrtArg < 0))
{
event._type = BOUNCE;
retVal.setType(BOUNCE);
retVal.impulse = retVal.rij * 2.0 * mu * retVal.rvdot / R2;
}
else
{
retVal.particle1_.setDeltaU(-0.5 * deltaKE);
retVal.particle2_.setDeltaU(-0.5 * deltaKE);
if (retVal.rvdot < 0)
retVal.impulse = retVal.rij
* (2.0 * MCDeltaKE / (std::sqrt(sqrtArg) - retVal.rvdot));
else
retVal.impulse = retVal.rij
* (-2.0 * MCDeltaKE / (retVal.rvdot + std::sqrt(sqrtArg)));
}
#ifdef DYNAMO_DEBUG
if (std::isnan(retVal.impulse[0]))
M_throw() << "A nan dp has ocurred";
#endif
//This function must edit particles so it overrides the const!
particle1.getVelocity() -= retVal.impulse / p1Mass;
particle2.getVelocity() += retVal.impulse / p2Mass;
return retVal;
}
PairEventData
DynNewtonian::SmoothSpheresColl(const IntEvent& event, const double& e, const double&, const EEventType& eType) const
{
Particle& particle1 = Sim->particles[event.getParticle1ID()];
Particle& particle2 = Sim->particles[event.getParticle2ID()];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2,
*Sim->species[particle1],
*Sim->species[particle2],
eType);
Sim->BCs->applyBC(retVal.rij, retVal.vijold);
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2.getID());
retVal.rvdot = (retVal.rij | retVal.vijold);
//Treat special cases if one particle has infinite mass
if ((p1Mass == 0) && (p2Mass != 0))
//if (!particle1.testState(Particle::DYNAMIC) && particle2.testState(Particle::DYNAMIC))
{
retVal.dP = p2Mass * retVal.rij * ((1.0 + e) * retVal.rvdot / retVal.rij.nrm2());
//This function must edit particles so it overrides the const!
particle2.getVelocity() += retVal.dP / p2Mass;
}
else if ((p1Mass != 0) && (p2Mass == 0))
//if (particle1.testState(Particle::DYNAMIC) && !particle2.testState(Particle::DYNAMIC))
{
retVal.dP = p1Mass * retVal.rij * ((1.0 + e) * retVal.rvdot / retVal.rij.nrm2());
//This function must edit particles so it overrides the const!
particle1.getVelocity() -= retVal.dP / p1Mass;
}
else
{
bool isInfInf = (p1Mass == 0) && (p2Mass == 0);
//If both particles have infinite mass we just collide them as identical masses
if (isInfInf) p1Mass = p2Mass = 1;
double mu = p1Mass * p2Mass / (p1Mass + p2Mass);
retVal.dP = retVal.rij * ((1.0 + e) * mu * retVal.rvdot / retVal.rij.nrm2());
//This function must edit particles so it overrides the const!
particle1.getVelocity() -= retVal.dP / p1Mass;
particle2.getVelocity() += retVal.dP / p2Mass;
//If both particles have infinite mass we pretend no momentum was transferred
retVal.dP *= !isInfInf;
}
retVal.particle1_.setDeltaKE(0.5 * p1Mass * (particle1.getVelocity().nrm2()
- retVal.particle1_.getOldVel().nrm2()));
retVal.particle2_.setDeltaKE(0.5 * p2Mass * (particle2.getVelocity().nrm2()
- retVal.particle2_.getOldVel().nrm2()));
lastCollParticle1 = particle1.getID();
lastCollParticle2 = particle2.getID();
lastAbsoluteClock = Sim->systemTime;
return retVal;
}
PairEventData
DynNewtonianMC::SphereWellEvent(const IntEvent& event, const double& deltaKE, const double &, size_t) const
{
Particle& particle1 = Sim->particles[event.getParticle1ID()];
Particle& particle2 = Sim->particles[event.getParticle2ID()];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2,
*Sim->species[particle1],
*Sim->species[particle2],
event.getType());
Sim->BCs->applyBC(retVal.rij,retVal.vijold);
retVal.rvdot = (retVal.rij | retVal.vijold);
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2.getID());
double mu = p1Mass * p2Mass / (p1Mass + p2Mass);
double R2 = retVal.rij.nrm2();
double CurrentE = Sim->getOutputPlugin<OPMisc>()->getConfigurationalU();
//Calculate the deformed energy change of the system (the one used in the dynamics)
double MCDeltaKE = deltaKE;
//If there are entries for the current and possible future energy, then take them into account
MCDeltaKE += W(CurrentE) * Sim->ensemble->getEnsembleVals()[2];
MCDeltaKE -= W(CurrentE - deltaKE) * Sim->ensemble->getEnsembleVals()[2];
//Test if the deformed energy change allows a capture event to occur
double sqrtArg = retVal.rvdot * retVal.rvdot + 2.0 * R2 * MCDeltaKE / mu;
if ((MCDeltaKE < 0) && (sqrtArg < 0))
{
event.setType(BOUNCE);
retVal.setType(BOUNCE);
retVal.impulse = retVal.rij * 2.0 * mu * retVal.rvdot / R2;
}
else
{
retVal.particle1_.setDeltaU(-0.5 * deltaKE);
retVal.particle2_.setDeltaU(-0.5 * deltaKE);
if (retVal.rvdot < 0)
retVal.impulse = retVal.rij
* (2.0 * MCDeltaKE / (std::sqrt(sqrtArg) - retVal.rvdot));
else
retVal.impulse = retVal.rij
* (-2.0 * MCDeltaKE / (retVal.rvdot + std::sqrt(sqrtArg)));
}
#ifdef DYNAMO_DEBUG
if (boost::math::isnan(retVal.impulse[0]))
M_throw() << "A nan dp has ocurred";
#endif
//This function must edit particles so it overrides the const!
particle1.getVelocity() -= retVal.impulse / p1Mass;
particle2.getVelocity() += retVal.impulse / p2Mass;
return retVal;
}
PairEventData
DynCompression::SphereWellEvent(const IntEvent& event, const double& deltaKE, const double& d2, size_t) const
{
Particle& particle1 = Sim->particles[event.getParticle1ID()];
Particle& particle2 = Sim->particles[event.getParticle2ID()];
updateParticlePair(particle1, particle2);
PairEventData retVal(particle1, particle2, *Sim->species[particle1], *Sim->species[particle2], event.getType());
Sim->BCs->applyBC(retVal.rij, retVal.vijold);
double p1Mass = Sim->species[retVal.particle1_.getSpeciesID()]->getMass(particle1.getID());
double p2Mass = Sim->species[retVal.particle2_.getSpeciesID()]->getMass(particle2.getID());
double mu = 1.0 / ((1.0 / p1Mass) + (1.0 / p2Mass));
bool infinite_masses = (p1Mass == HUGE_VAL) && (p2Mass == HUGE_VAL);
if (infinite_masses)
{
p1Mass = p2Mass = 1;
mu = 0.5;
}
Vector urij = retVal.rij / retVal.rij.nrm();
retVal.rvdot = (urij | retVal.vijold);
double sqrtArg = std::pow(retVal.rvdot - growthRate * sqrt(d2), 2) + (2.0 * deltaKE / mu);
if ((deltaKE < 0) && (sqrtArg < 0))
{
event.setType(BOUNCE);
retVal.setType(BOUNCE);
retVal.impulse = urij * (2.0 * mu * (retVal.rvdot - growthRate * sqrt(d2)));
}
else if (deltaKE==0)
retVal.impulse = Vector(0,0,0);
else
{
retVal.particle1_.setDeltaU(-0.5 * deltaKE);
retVal.particle2_.setDeltaU(-0.5 * deltaKE);
if (retVal.rvdot < 0)
retVal.impulse = urij
* (2.0 * deltaKE / (growthRate * sqrt(d2) + std::sqrt(sqrtArg) - retVal.rvdot ));
else
retVal.impulse = urij
* (2.0 * deltaKE / (growthRate * sqrt(d2) - std::sqrt(sqrtArg) - retVal.rvdot ));
;
}
retVal.rvdot *= retVal.rij.nrm();
#ifdef DYNAMO_DEBUG
if (std::isnan(retVal.impulse[0]))
M_throw() << "A nan dp has ocurred"
<< "\ndeltaKE = " << deltaKE
<< "\ngrowthRate = " << growthRate
<< "\nd2 = " << d2
<< "\nsqrtArg = " << sqrtArg
<< "\nrvdot = " << retVal.rvdot
<< "\nArg " << (growthRate * sqrt(d2) - std::sqrt(sqrtArg) - retVal.rvdot)
;
#endif
particle1.getVelocity() -= retVal.impulse / p1Mass;
particle2.getVelocity() += retVal.impulse / p2Mass;
retVal.impulse *= !infinite_masses;
return retVal;
}
