/* ---------------------------------------------------------------------- This is the ██╗ ██╗ ██████╗ ██████╗ ██████╗ ██╗ ██╗████████╗███████╗ ██║ ██║██╔════╝ ██╔════╝ ██╔════╝ ██║ ██║╚══██╔══╝██╔════╝ ██║ ██║██║ ███╗██║ ███╗██║ ███╗███████║ ██║ ███████╗ ██║ ██║██║ ██║██║ ██║██║ ██║██╔══██║ ██║ ╚════██║ ███████╗██║╚██████╔╝╚██████╔╝╚██████╔╝██║ ██║ ██║ ███████║ ╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝® DEM simulation engine, released by DCS Computing Gmbh, Linz, Austria http://www.dcs-computing.com, office@dcs-computing.com LIGGGHTS® is part of CFDEM®project: http://www.liggghts.com | http://www.cfdem.com Core developer and main author: Christoph Kloss, christoph.kloss@dcs-computing.com LIGGGHTS® is open-source, distributed under the terms of the GNU Public License, version 2 or later. It 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. You should have received a copy of the GNU General Public License along with LIGGGHTS®. If not, see http://www.gnu.org/licenses . See also top-level README and LICENSE files. LIGGGHTS® and CFDEM® are registered trade marks of DCS Computing GmbH, the producer of the LIGGGHTS® software and the CFDEM®coupling software See http://www.cfdem.com/terms-trademark-policy for details. ------------------------------------------------------------------------- Contributing author and copyright for this file: Christoph Kloss (DCS Computing GmbH, Linz) Christoph Kloss (JKU Linz) Richard Berger (JKU Linz) Copyright 2012- DCS Computing GmbH, Linz Copyright 2009-2012 JKU Linz ------------------------------------------------------------------------- */ #ifdef NORMAL_MODEL NORMAL_MODEL(HERTZ2,hertz2,5) #else #ifndef NORMAL_MODEL_HERTZ2_H_ #define NORMAL_MODEL_HERTZ2_H_ #include "global_properties.h" #include "fix_property_atom.h" #include #include "normal_model_base.h" #include "fix_mesh_surface.h" namespace LIGGGHTS { namespace ContactModels { class ContactModelBase; template<> class NormalModel : public NormalModelBase { public: NormalModel(LAMMPS * lmp, IContactHistorySetup* hsetup, class ContactModelBase *c) : NormalModelBase(lmp, hsetup, c), Yeff(NULL), Geff(NULL), betaeff(NULL), limitForce(false), displayedSettings(false), heating(false), heating_track(false), elastic_potential_offset_(-1), elasticpotflag_(false), fix_dissipated_(NULL), dissipatedflag_(false), overlap_offset_(0.0), disable_when_bonded_(false), bond_history_offset_(-1), dissipation_history_offset_(-1), cmb(c) { } void registerSettings(Settings & settings) { settings.registerOnOff("tangential_damping", tangential_damping, true); settings.registerOnOff("limitForce", limitForce); settings.registerOnOff("heating_normal_hertz2",heating,false); settings.registerOnOff("heating_tracking",heating_track,false); settings.registerOnOff("computeElasticPotential", elasticpotflag_, false); settings.registerOnOff("computeDissipatedEnergy", dissipatedflag_, false); settings.registerOnOff("disableNormalWhenBonded", disable_when_bonded_, false); //TODO error->one(FLERR,"TODO here also check if right surface model used"); } void postSettings(IContactHistorySetup * hsetup, ContactModelBase *cmb) { if (elasticpotflag_) { elastic_potential_offset_ = cmb->get_history_offset("elastic_potential_normal"); if (elastic_potential_offset_ == -1) { elastic_potential_offset_ = hsetup->add_history_value("elastic_potential_normal", "0"); hsetup->add_history_value("elastic_force_normal_0", "1"); hsetup->add_history_value("elastic_force_normal_1", "1"); hsetup->add_history_value("elastic_force_normal_2", "1"); hsetup->add_history_value("elastic_torque_normal_i_0", "0"); hsetup->add_history_value("elastic_torque_normal_i_1", "0"); hsetup->add_history_value("elastic_torque_normal_i_2", "0"); hsetup->add_history_value("elastic_torque_normal_j_0", "0"); hsetup->add_history_value("elastic_torque_normal_j_1", "0"); hsetup->add_history_value("elastic_torque_normal_j_2", "0"); if (cmb->is_wall()) hsetup->add_history_value("elastic_potential_wall", "0"); cmb->add_history_offset("elastic_potential_normal", elastic_potential_offset_); } } if (dissipatedflag_) { if (cmb->is_wall()) { fix_dissipated_ = static_cast(modify->find_fix_property("dissipated_energy_wall", "property/atom", "vector", 0, 0, "dissipated energy")); dissipation_history_offset_ = cmb->get_history_offset("dissipation_force"); if (!dissipation_history_offset_) error->one(FLERR, "Internal error: Could not find dissipation history offset"); } else fix_dissipated_ = static_cast(modify->find_fix_property("dissipated_energy", "property/atom", "vector", 0, 0, "dissipated energy")); if (!fix_dissipated_) error->one(FLERR, "Surface model has not registered dissipated_energy fix"); } if (disable_when_bonded_) { bond_history_offset_ = cmb->get_history_offset("bond_contactflag"); if (bond_history_offset_ < 0) error->one(FLERR, "Could not find bond history offset"); overlap_offset_ = hsetup->add_history_value("overlap_offset", "0"); } } void connectToProperties(PropertyRegistry & registry) { registry.registerProperty("Yeff", &MODEL_PARAMS::createYeff,"model hertz2"); registry.registerProperty("Geff", &MODEL_PARAMS::createGeff,"model hertz2"); registry.registerProperty("betaeff", &MODEL_PARAMS::createBetaEff,"model hertz2"); registry.connect("Yeff", Yeff,"model hertz2"); registry.connect("Geff", Geff,"model hertz2"); registry.connect("betaeff", betaeff,"model hertz2"); // enlarge contact distance flag in case of elastic energy computation // to ensure that surfaceClose is called after a contact if (elasticpotflag_) //set neighbor contact_distance_factor here neighbor->register_contact_dist_factor(1.01); } // effective exponent for stress-strain relationship double stressStrainExponent() { return 1.5; } void dissipateElasticPotential(SurfacesCloseData &scdata) { if (elasticpotflag_) { double * const elastic_energy = &scdata.contact_history[elastic_potential_offset_]; if (scdata.is_wall) { // we need to calculate half an integration step which was left over to ensure no energy loss, but only for the elastic energy. The dissipation part is handled in fix_wall_gran_base.h. double delta[3] = {0.,0.,0.}; vectorCopy3D(scdata.v_j,delta); vectorScalarMult3D(delta, update->dt); // -= because force is in opposite direction // no *dt as delta is v*dt of the contact position elastic_energy[0] -= (delta[0]*(elastic_energy[1]) + delta[1]*(elastic_energy[2]) + delta[2]*(elastic_energy[3]))*0.5 // from previous half step + elastic_energy[10]; elastic_energy[10] = 0.0; if (scdata.contact_flags && elastic_energy[0] != 0.) *scdata.contact_flags |= CONTACT_NORMAL_MODEL; } elastic_energy[1] = 0.0; elastic_energy[2] = 0.0; elastic_energy[3] = 0.0; elastic_energy[4] = 0.0; elastic_energy[5] = 0.0; elastic_energy[6] = 0.0; elastic_energy[7] = 0.0; elastic_energy[8] = 0.0; elastic_energy[9] = 0.0; } } void surfacesIntersect(SurfacesIntersectData & sidata, ForceData & i_forces, ForceData & j_forces) { if (sidata.contact_flags) *sidata.contact_flags |= CONTACT_NORMAL_MODEL; const bool update_history = sidata.computeflag && sidata.shearupdate; const int itype = sidata.itype; const int jtype = sidata.jtype; const double radi = sidata.radi; const double radj = sidata.radj; double reff = sidata.is_wall ? radi : (radi*radj/(radi+radj)); #ifdef SUPERQUADRIC_ACTIVE_FLAG if(sidata.is_non_spherical && atom->superquadric_flag) reff = sidata.reff; #endif const double meff=sidata.meff; if(sidata.deltan < 0) error->one(FLERR, "sidata.deltan < 0!"); const double sqrtval = sqrt(reff*sidata.deltan); #ifdef LIGGGHTS_DEBUG if(std::isnan(sqrtval)) error->one(FLERR, "sqrtval is NaN!"); #endif if (disable_when_bonded_ && update_history && sidata.deltan < sidata.contact_history[overlap_offset_]) sidata.contact_history[overlap_offset_] = sidata.deltan; const double deltan = disable_when_bonded_ ? fmax(sidata.deltan-sidata.contact_history[overlap_offset_], 0.0) : sidata.deltan; const double Sn=2.*Yeff[itype][jtype]*sqrtval; const double St=8.*Geff[itype][jtype]*sqrtval; double kn=1.*Yeff[itype][jtype]*sqrtval; double kt=St; const double sqrtFiveOverSix = 0.91287092917527685576161630466800355658790782499663875; const double gamman=-2.*sqrtFiveOverSix*betaeff[itype][jtype]*sqrt(Sn*meff); const double gammat= tangential_damping ? -2.*sqrtFiveOverSix*betaeff[itype][jtype]*sqrt(St*meff) : 0.0; if(!displayedSettings) { displayedSettings = true; /* if(limitForce) if(0 == comm->me) fprintf(screen," NormalModel: will limit normal force.\n"); */ } // convert Kn and Kt from pressure units to force/distance^2 kn /= force->nktv2p; kt /= force->nktv2p; const double Fn_damping = -gamman*sidata.vn; const double Fn_contact = kn*deltan; double Fn = Fn_damping + Fn_contact; //limit force to avoid the artefact of negative repulsion force if(limitForce && (Fn<0.0) ) { Fn = 0.0; } sidata.Fn = Fn; sidata.kn = kn; sidata.kt = kt; sidata.gamman = gamman; sidata.gammat = gammat; #ifdef NONSPHERICAL_ACTIVE_FLAG double torque_i[3] = {0., 0., 0.}; double Fn_i[3] = { Fn * sidata.en[0], Fn * sidata.en[1], Fn * sidata.en[2]}; if(sidata.is_non_spherical) { double xci[3]; vectorSubtract3D(sidata.contact_point, atom->x[sidata.i], xci); vectorCross3D(xci, Fn_i, torque_i); } #endif // apply normal force if (!disable_when_bonded_ || sidata.contact_history[bond_history_offset_] < 0.5) { if(heating) { const double mj = sidata.is_wall ? sidata.mi : sidata.mj; const double E_therm = fabs((-sidata.vn - update->dt*Fn*0.5*(1.0/sidata.mi + 1.0/mj))*Fn_damping); sidata.P_diss += E_therm; if(heating_track && sidata.is_wall) cmb->tally_pw(E_therm ,sidata.i,jtype,0); if(heating_track && !sidata.is_wall) cmb->tally_pp(E_therm ,sidata.i,sidata.j,0); } // energy balance terms if (update_history) { // compute increment in elastic potential if (elasticpotflag_) { double * const elastic_energy = &sidata.contact_history[elastic_potential_offset_]; // correct for wall influence if (sidata.is_wall) { double delta[3] = {0.,0.,0.}; vectorCopy3D(sidata.v_j,delta); vectorScalarMult3D(delta, update->dt); // -= because force is in opposite direction // no *dt as delta is v*dt of the contact position //printf("pela %e %e %e %e\n", update->get_cur_time()-update->dt, deb, -sidata.radj, deb-sidata.radj); elastic_energy[0] -= (delta[0]*elastic_energy[1] + delta[1]*elastic_energy[2] + delta[2]*elastic_energy[3])*0.5 // from previous half step + elastic_energy[10]; elastic_energy[10] = -(delta[0]*Fn_contact*sidata.en[0] + delta[1]*Fn_contact*sidata.en[1] + delta[2]*Fn_contact*sidata.en[2])*0.5; } elastic_energy[1] = -Fn_contact*sidata.en[0]; elastic_energy[2] = -Fn_contact*sidata.en[1]; elastic_energy[3] = -Fn_contact*sidata.en[2]; elastic_energy[4] = 0.0; elastic_energy[5] = 0.0; elastic_energy[6] = 0.0; elastic_energy[7] = 0.0; elastic_energy[8] = 0.0; elastic_energy[9] = 0.0; } // compute increment in dissipated energy if (dissipatedflag_) { double * const * const dissipated = fix_dissipated_->array_atom; double * const dissipated_i = dissipated[sidata.i]; double * const dissipated_j = dissipated[sidata.j]; const double F_diss = -Fn_damping; dissipated_i[1] += sidata.en[0]*F_diss; dissipated_i[2] += sidata.en[1]*F_diss; dissipated_i[3] += sidata.en[2]*F_diss; if (sidata.j < atom->nlocal && !sidata.is_wall) { dissipated_j[1] -= sidata.en[0]*F_diss; dissipated_j[2] -= sidata.en[1]*F_diss; dissipated_j[3] -= sidata.en[2]*F_diss; } else if (sidata.is_wall) { double * const diss_force = &sidata.contact_history[dissipation_history_offset_]; diss_force[0] -= sidata.en[0]*F_diss; diss_force[1] -= sidata.en[1]*F_diss; diss_force[2] -= sidata.en[2]*F_diss; } } #ifdef NONSPHERICAL_ACTIVE_FLAG if ((dissipatedflag_ || elasticpotflag_) && sidata.is_non_spherical) error->one(FLERR,"Dissipation and elastic potential do not compute torque influence for nonspherical particles"); #endif } if(sidata.is_wall) { const double Fn_ = Fn * sidata.area_ratio; i_forces.delta_F[0] += Fn_ * sidata.en[0]; i_forces.delta_F[1] += Fn_ * sidata.en[1]; i_forces.delta_F[2] += Fn_ * sidata.en[2]; #ifdef NONSPHERICAL_ACTIVE_FLAG if(sidata.is_non_spherical) { //for non-spherical particles normal force can produce torque! i_forces.delta_torque[0] += sidata.area_ratio*torque_i[0]; i_forces.delta_torque[1] += sidata.area_ratio*torque_i[1]; i_forces.delta_torque[2] += sidata.area_ratio*torque_i[2]; } #endif } else { i_forces.delta_F[0] += sidata.Fn * sidata.en[0]; i_forces.delta_F[1] += sidata.Fn * sidata.en[1]; i_forces.delta_F[2] += sidata.Fn * sidata.en[2]; j_forces.delta_F[0] += -i_forces.delta_F[0]; j_forces.delta_F[1] += -i_forces.delta_F[1]; j_forces.delta_F[2] += -i_forces.delta_F[2]; #ifdef NONSPHERICAL_ACTIVE_FLAG if(sidata.is_non_spherical) { //for non-spherical particles normal force can produce torque! double xcj[3], torque_j[3]; double Fn_j[3] = { -Fn_i[0], -Fn_i[1], -Fn_i[2]}; vectorSubtract3D(sidata.contact_point, atom->x[sidata.j], xcj); vectorCross3D(xcj, Fn_j, torque_j); i_forces.delta_torque[0] += torque_i[0]; i_forces.delta_torque[1] += torque_i[1]; i_forces.delta_torque[2] += torque_i[2]; j_forces.delta_torque[0] += torque_j[0]; j_forces.delta_torque[1] += torque_j[1]; j_forces.delta_torque[2] += torque_j[2]; } #endif } } else if (update_history) { sidata.contact_history[overlap_offset_] = sidata.deltan; dissipateElasticPotential(sidata); } } void surfacesClose(SurfacesCloseData &scdata, ForceData&, ForceData&) { dissipateElasticPotential(scdata); } void beginPass(SurfacesIntersectData&, ForceData&, ForceData&){} void endPass(SurfacesIntersectData&, ForceData&, ForceData&){} protected: double ** Yeff; double ** Geff; double ** betaeff; bool tangential_damping; bool limitForce; bool displayedSettings; bool heating; bool heating_track; int elastic_potential_offset_; bool elasticpotflag_; FixPropertyAtom *fix_dissipated_; bool dissipatedflag_; int overlap_offset_; bool disable_when_bonded_; int bond_history_offset_; int dissipation_history_offset_; class ContactModelBase *cmb; }; } } #endif #endif