libliggghts-dev 3.7.0+repack1-1 / usr / include / liggghts / rolling_model_epsd.h

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/* ----------------------------------------------------------------------
    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:

    Andreas Aigner (DCS Computing GmbH, Linz)
    Christoph Kloss (DCS Computing GmbH, Linz)
    Alexander Podlodhnyuk (DCS Computing GmbH, Linz)
    Andreas Aigner (JKU 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_EPSD,epsd,2)
#else
#ifndef ROLLING_MODEL_EPSD_H_
#define ROLLING_MODEL_EPSD_H_
#include "contact_models.h"
#include "rolling_model_base.h"
#include <algorithm>
#include <math.h>
#include "domain.h"
#include "math_extra_liggghts.h"

namespace LIGGGHTS {
namespace ContactModels
{
  using namespace LAMMPS_NS;

  template<>
  class RollingModel<ROLLING_EPSD> : public RollingModelBase
  {
  public:
    RollingModel(class LAMMPS * lmp, IContactHistorySetup * hsetup,class ContactModelBase * c) :
        RollingModelBase(lmp, hsetup, c), coeffRollFrict(NULL), coeffRollVisc(NULL)
    {
      history_offset = hsetup->add_history_value("r_torquex_old", "1");
      hsetup->add_history_value("r_torquey_old", "1");
      hsetup->add_history_value("r_torquez_old", "1");
      
    }

    void registerSettings(Settings& settings)
    {
       settings.registerOnOff("torsionTorque", torsion_torque, false);
    }

    inline void postSettings(IContactHistorySetup * hsetup, ContactModelBase *cmb)
    {}

    void connectToProperties(PropertyRegistry & registry) {
      registry.registerProperty("coeffRollFrict", &MODEL_PARAMS::createCoeffRollFrict);
      registry.registerProperty("coeffRollVisc", &MODEL_PARAMS::createCoeffRollVisc);
      registry.connect("coeffRollFrict", coeffRollFrict,"rolling_model epsd");
      registry.connect("coeffRollVisc", coeffRollVisc,"rolling_model epsd");

      // error checks on coarsegraining
      if(force->cg_active())
        error->cg(FLERR,"rolling model epsd");
    }

    void surfacesIntersect(SurfacesIntersectData & sidata, ForceData & i_forces, ForceData & j_forces)
    {
      double r_torque[3];
      vectorZeroize3D(r_torque);

      if(sidata.contact_flags) *sidata.contact_flags |= CONTACT_ROLLING_MODEL;

      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) {
        if(sidata.is_wall)
          reff = MathExtraLiggghtsNonspherical::get_effective_radius_wall(sidata, atom->roundness[sidata.i], error);
        else
          reff = MathExtraLiggghtsNonspherical::get_effective_radius(sidata, atom->roundness[sidata.i], atom->roundness[sidata.j], error);
      }
#endif
      if(sidata.is_wall) {
        const double wr1 = sidata.wr1;
        const double wr2 = sidata.wr2;
        const double wr3 = sidata.wr3;

        double r_inertia = 0.0; //pre-initialize to prevent compiler "warning"

#ifdef SUPERQUADRIC_ACTIVE_FLAG
        if(sidata.is_non_spherical) {
          const double rii = pointDistance(sidata.contact_point, atom->x[sidata.i]);
          const double omega_mag = sqrt(wr1*wr1 + wr2*wr2 + wr3*wr3);
          if(omega_mag != 0.0) {
            double er[3];
            er[0] = wr1 / omega_mag;
            er[1] = wr2 / omega_mag;
            er[2] = wr3 / omega_mag;
            const double Ix = atom->inertia[sidata.i][0];
            const double Iy = atom->inertia[sidata.i][1];
            const double Iz = atom->inertia[sidata.i][2];
            double inertia_tensor[9];
            double inertia_tensor_local[9] = { Ix, 0.0, 0.0,
                                               0.0, Iy, 0.0,
                                               0.0, 0.0, Iz };
            MathExtraLiggghtsNonspherical::tensor_quat_rotate(inertia_tensor_local, atom->quaternion[sidata.i], inertia_tensor);
            double temp[3];
            MathExtraLiggghtsNonspherical::matvec(inertia_tensor, er, temp);
            double Ii = MathExtra::dot3(temp, er);
            r_inertia = Ii + sidata.mi*rii*rii;
          }
        } else {
          if (domain->dimension == 2) r_inertia = 1.5*sidata.mi*reff*reff;
          else  r_inertia = 1.4*sidata.mi*reff*reff;
        }
#else

        if (domain->dimension == 2) r_inertia = 1.5*sidata.mi*reff*reff;
        else  r_inertia = 1.4*sidata.mi*reff*reff;
#endif

        calcRollTorque(r_torque,sidata,reff,wr1,wr2,wr3,r_inertia);

      } else {

        double  wr_roll[3];

        const int i = sidata.i;
        const int j = sidata.j;

        const double * const * const omega = atom->omega;

        // relative rotational velocity
        vectorSubtract3D(omega[i],omega[j],wr_roll);
        double r_inertia = 0.0; //pre-initialize to prevent compiler "warning"
        double r_inertia_red_i, r_inertia_red_j;

#ifdef SUPERQUADRIC_ACTIVE_FLAG
        if(sidata.is_non_spherical) {
          const double rii = pointDistance(sidata.contact_point, atom->x[i]);
          const double rjj = pointDistance(sidata.contact_point, atom->x[j]);
          const double omega_mag = vectorMag3D(wr_roll);
          if(omega_mag != 0.0) {
            double er[3];
            er[0] = wr_roll[0] / omega_mag;
            er[1] = wr_roll[1] / omega_mag;
            er[2] = wr_roll[2] / omega_mag;
            const double Ix_i = atom->inertia[i][0];
            const double Iy_i = atom->inertia[i][1];
            const double Iz_i = atom->inertia[i][2];

            const double Ix_j = atom->inertia[j][0];
            const double Iy_j = atom->inertia[j][1];
            const double Iz_j = atom->inertia[j][2];

            double inertia_tensor_i[9];
            double inertia_tensor_local_i[9] = { Ix_i, 0.0, 0.0,
                                                 0.0, Iy_i, 0.0,
                                                 0.0, 0.0, Iz_i };
            double inertia_tensor_j[9];
            double inertia_tensor_local_j[9] = { Ix_j, 0.0, 0.0,
                                                 0.0, Iy_j, 0.0,
                                                 0.0, 0.0, Iz_j };
            MathExtraLiggghtsNonspherical::tensor_quat_rotate(inertia_tensor_local_i, atom->quaternion[i], inertia_tensor_i);
            MathExtraLiggghtsNonspherical::tensor_quat_rotate(inertia_tensor_local_j, atom->quaternion[j], inertia_tensor_j);
            double temp[3];
            MathExtraLiggghtsNonspherical::matvec(inertia_tensor_i, er, temp);
            double Ii = MathExtra::dot3(temp, er);
            MathExtraLiggghtsNonspherical::matvec(inertia_tensor_j, er, temp);
            double Ij = MathExtra::dot3(temp, er);
            r_inertia_red_i = Ii + sidata.mi*rii*rii; //
            r_inertia_red_j = Ij + sidata.mj*rjj*rjj;
            r_inertia = r_inertia_red_i*r_inertia_red_j / (r_inertia_red_i + r_inertia_red_j);
          }

        } else {
          r_inertia_red_i = sidata.mi*radi*radi;
          r_inertia_red_j= sidata.mj*radj*radj;
        if (domain->dimension == 2) r_inertia = 1.5 * r_inertia_red_i * r_inertia_red_j/(r_inertia_red_i + r_inertia_red_j);
        else  r_inertia = 1.4 * r_inertia_red_i * r_inertia_red_j/(r_inertia_red_i + r_inertia_red_j);
        }
#else
        r_inertia_red_i = sidata.mi*radi*radi;
        r_inertia_red_j= sidata.mj*radj*radj;
        if (domain->dimension == 2) r_inertia = 1.5 * r_inertia_red_i * r_inertia_red_j/(r_inertia_red_i + r_inertia_red_j);
        else  r_inertia = 1.4 * r_inertia_red_i * r_inertia_red_j/(r_inertia_red_i + r_inertia_red_j);
#endif

        calcRollTorque(r_torque,sidata,reff,wr_roll[0],wr_roll[1],wr_roll[2],r_inertia);
      }

      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 surfacesClose(SurfacesCloseData & scdata, ForceData&, ForceData&)
    {
      if(scdata.contact_flags) *scdata.contact_flags &= ~CONTACT_ROLLING_MODEL;
      double * const c_history = &scdata.contact_history[history_offset];
      c_history[0] = 0.0; // this is the r_torque_old
      c_history[1] = 0.0; // this is the r_torque_old
      c_history[2] = 0.0; // this is the r_torque_old
    }

    void beginPass(SurfacesIntersectData&, ForceData&, ForceData&){}
    void endPass(SurfacesIntersectData&, ForceData&, ForceData&){}

  private:
    double ** coeffRollFrict;
    double ** coeffRollVisc;
    int history_offset;
    bool torsion_torque;

    inline void calcRollTorque(double (&r_torque)[3],const SurfacesIntersectData & sidata,double reff,double wr1,double wr2,double wr3,double r_inertia) {

      double wr_tot[3],dr_torque[3];

      const int itype = sidata.itype;
      const int jtype = sidata.jtype;

      const double enx = sidata.en[0];
      const double eny = sidata.en[1];
      const double enz = sidata.en[2];

      const double dt = update->dt; 

      double * const c_history = &sidata.contact_history[history_offset]; // requires Style::TANGENTIAL == TANGENTIAL_HISTORY
      const double rmu= coeffRollFrict[itype][jtype];

      if(torsion_torque) {
        // use full relative rotation for rolling torque
        wr_tot[0] = wr1;
        wr_tot[1] = wr2;
        wr_tot[2] = wr3;
      } else {
        // remove normal (torsion) part of relative rotation
        // use only tangential parts for rolling torque
        double wr_n[3];
        const double wr_dot_delta = wr1*enx+ wr2*eny + wr3*enz;
        wr_n[0] = enx * wr_dot_delta;
        wr_n[1] = eny * wr_dot_delta;
        wr_n[2] = enz * wr_dot_delta;
        wr_tot[0] = wr1 - wr_n[0]; // wr_t[0];
        wr_tot[1] = wr2 - wr_n[1]; // wr_t[1];
        wr_tot[2] = wr3 - wr_n[2]; // wr_t[2];
      }

      // spring
      const double kr = 2.25*sidata.kn*rmu*rmu*reff*reff; 

      vectorScalarMult3D(wr_tot,dt*kr,dr_torque);

      r_torque[0] = c_history[0] + dr_torque[0];
      r_torque[1] = c_history[1] + dr_torque[1];
      r_torque[2] = c_history[2] + dr_torque[2];

      // limit max. torque
      const double r_torque_mag = vectorMag3D(r_torque);
      const double r_torque_max = fabs(sidata.Fn)*reff*rmu;
      const bool update_history = sidata.computeflag && sidata.shearupdate;
      if(r_torque_mag > r_torque_max)
      {
        //printf("[%d] %e > %e\n", update->ntimestep, r_torque_mag, r_torque_max);
        const double factor = r_torque_max / r_torque_mag;

        r_torque[0] *= factor;
        r_torque[1] *= factor;
        r_torque[2] *= factor;

        if (update_history)
        {
            // save rolling torque due to spring
            c_history[0] = r_torque[0];
            c_history[1] = r_torque[1];
            c_history[2] = r_torque[2];
        }

        // no damping / no dashpot in case of full mobilisation rolling angle

      } else {
        if (update_history)
        {
            // save rolling torque due to spring before adding damping torque
            c_history[0] = r_torque[0];
            c_history[1] = r_torque[1];
            c_history[2] = r_torque[2];
        }

        // dashpot
        
        const double r_coef = coeffRollVisc[itype][jtype] * 2 * sqrt(r_inertia*kr);

        // add damping torque
        r_torque[0] += r_coef*wr_tot[0];
        r_torque[1] += r_coef*wr_tot[1];
        r_torque[2] += r_coef*wr_tot[2];
      }
    }
  };
}
}
#endif // ROLLING_MODEL_EPSD_H_
#endif

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