/* ---------------------------------------------------------------------- Copyright 2021, Battelle Energy Alliance, LLC All Rights Reserved ------------------------------------------------------------------------- Contributing author and copyright for this file: Yidong Xia (Idaho National Laboratory) ------------------------------------------------------------------------- */ /* ---------------------------------------------------------------------- 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: Alexander Podlozhnyuk (DCS Computing GmbH, Linz) Andreas Aigner (DCS Computing GmbH, Linz) 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 ROLLING_MODEL ROLLING_MODEL(ROLLING_CDTNONLINEAR2,cdtnonlinear2,7) #else #ifndef ROLLING_MODEL_CDTNONLINEAR2_H_ #define ROLLING_MODEL_CDTNONLINEAR2_H_ #include "contact_models.h" #include "rolling_model_base.h" #include #include #include "math_extra_liggghts.h" namespace LIGGGHTS { namespace ContactModels { using namespace LAMMPS_NS; template<> class RollingModel : public RollingModelBase { public: RollingModel(LAMMPS * lmp, IContactHistorySetup * hsetup, class ContactModelBase * c) : RollingModelBase(lmp, hsetup, c), coeffRollFrict(NULL) { } void registerSettings(Settings& settings) { settings.registerOnOff("torsionTorque", torsion_torque, false); } void postSettings(IContactHistorySetup * hsetup, ContactModelBase *cmb) {} void connectToProperties(PropertyRegistry & registry) { registry.registerProperty("coeffRollFrict", &MODEL_PARAMS::createCoeffRollFrict); registry.connect("coeffRollFrict", coeffRollFrict,"rolling_model cdtnonlinear2"); // error checks on coarsegraining if(force->cg_active()) error->cg(FLERR,"rolling model cdtnonlinear2"); } void surfacesIntersect(SurfacesIntersectData & sidata, ForceData & i_forces, ForceData & j_forces) { const double rmu = coeffRollFrict[sidata.itype][sidata.jtype]; double r_torque[3], wr_roll[3]; vectorZeroize3D(r_torque); 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 if(sidata.is_wall){ const double wr1 = sidata.wr1; const double wr2 = sidata.wr2; const double wr3 = sidata.wr3; const double wrmag = sqrt(wr1*wr1+wr2*wr2+wr3*wr3); if (wrmag > 0.) { const double kn = sidata.kn; const double enx = sidata.en[0]; const double eny = sidata.en[1]; const double enz = sidata.en[2]; //const double Fn = sidata.deltan*kn; const double Fn = sidata.Fn; r_torque[0] = rmu*Fn*wr1/wrmag*reff; r_torque[1] = rmu*Fn*wr2/wrmag*reff; r_torque[2] = rmu*Fn*wr3/wrmag*reff; // remove normal (torsion) part of torque if(!torsion_torque) { double rtorque_dot_delta = r_torque[0]*enx+ r_torque[1]*eny + r_torque[2]*enz; double r_torque_n[3]; r_torque_n[0] = enx * rtorque_dot_delta; r_torque_n[1] = eny * rtorque_dot_delta; r_torque_n[2] = enz * rtorque_dot_delta; vectorSubtract3D(r_torque,r_torque_n,r_torque); } } } else { vectorSubtract3D(atom->omega[sidata.i],atom->omega[sidata.j],wr_roll); const double wr_rollmag = vectorMag3D(wr_roll); if(wr_rollmag > 0.) { const double enx = sidata.en[0]; const double eny = sidata.en[1]; const double enz = sidata.en[2]; // calculate torque const double Fn = sidata.Fn; //vectorScalarMult3D(wr_roll,rmu*sidata.kn*sidata.deltan*reff/wr_rollmag,r_torque); vectorScalarMult3D(wr_roll,rmu*Fn*reff/wr_rollmag,r_torque); // remove normal (torsion) part of torque if(!torsion_torque) { const double rtorque_dot_delta = r_torque[0]*enx + r_torque[1]*eny + r_torque[2]*enz; double r_torque_n[3]; r_torque_n[0] = enx * rtorque_dot_delta; r_torque_n[1] = eny * rtorque_dot_delta; r_torque_n[2] = enz * rtorque_dot_delta; vectorSubtract3D(r_torque,r_torque_n,r_torque); } } } i_forces.delta_torque[0] -= r_torque[0]; i_forces.delta_torque[1] -= r_torque[1]; i_forces.delta_torque[2] -= r_torque[2]; j_forces.delta_torque[0] += r_torque[0]; j_forces.delta_torque[1] += r_torque[1]; j_forces.delta_torque[2] += r_torque[2]; } void beginPass(SurfacesIntersectData&, ForceData&, ForceData&){} void endPass(SurfacesIntersectData&, ForceData&, ForceData&){} void surfacesClose(SurfacesCloseData&, ForceData&, ForceData&){} private: double ** coeffRollFrict; bool torsion_torque; }; } } #endif // ROLLING_MODEL_CDTNONLINEAR2_H_ #endif