/usr/include/liggghts/cohesion_model_easo_capillary_viscous.h is in libliggghts-dev 3.7.0+repack1-1.
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This is the
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╚══════╝╚═╝ ╚═════╝ ╚═════╝ ╚═════╝ ╚═╝ ╚═╝ ╚═╝ ╚══════╝®
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:
(if no contributing author is listed, this file has been contributed
by the core developer)
Copyright 2014- DCS Computing GmbH, Linz
------------------------------------------------------------------------- */
#ifdef COHESION_MODEL
COHESION_MODEL(COHESION_EASO_CAPILLARY_VISCOUS,easo/capillary/viscous,8)
#else
#ifndef COHESION_MODEL_EASO_CAPILLARY_VISCOUS_H_
#define COHESION_MODEL_EASO_CAPILLARY_VISCOUS_H_
#include "contact_models.h"
#include "cohesion_model_base.h"
#include <math.h>
#include "math_extra_liggghts.h"
#include "global_properties.h"
#include "fix_property_atom.h"
#include "neighbor.h"
namespace MODEL_PARAMS
{
inline static ScalarProperty* createliquidContentInitialEaso(PropertyRegistry & registry, const char * caller, bool sanity_checks)
{
ScalarProperty* surfaceLiquidContentInitialScalar = MODEL_PARAMS::createScalarProperty(registry, "surfaceLiquidContentInitial", caller);
return surfaceLiquidContentInitialScalar;
}
inline static ScalarProperty* createMinSeparationDistanceRatioEaso(PropertyRegistry & registry, const char * caller, bool sanity_checks)
{
ScalarProperty* minSeparationDistanceRatioScalar = MODEL_PARAMS::createScalarProperty(registry, "minSeparationDistanceRatio", caller);
return minSeparationDistanceRatioScalar;
}
inline static ScalarProperty* createMaxSeparationDistanceRatioEaso(PropertyRegistry & registry, const char * caller, bool sanity_checks)
{
ScalarProperty* maxSeparationDistanceRatioScalar = MODEL_PARAMS::createScalarProperty(registry, "maxSeparationDistanceRatio", caller);
return maxSeparationDistanceRatioScalar;
}
inline static ScalarProperty* createFluidViscosityEaso(PropertyRegistry & registry, const char * caller, bool sanity_checks)
{
ScalarProperty* fluidViscosityScalar = MODEL_PARAMS::createScalarProperty(registry, "fluidViscosity", caller);
return fluidViscosityScalar;
}
}
namespace LIGGGHTS {
namespace ContactModels {
template<>
class CohesionModel<COHESION_EASO_CAPILLARY_VISCOUS> : public CohesionModelBase {
public:
CohesionModel(LAMMPS * lmp, IContactHistorySetup * hsetup,class ContactModelBase *cmb) :
CohesionModelBase(lmp, hsetup, cmb),
surfaceLiquidContentInitial(0.0),
surfaceTension(0.0),
contactAngle(0),
minSeparationDistanceRatio(0.0),
maxSeparationDistanceRatio(0.0),
fluidViscosity(0.),
history_offset(0),
fix_surfaceliquidcontent(0),
fix_liquidflux(0),
fix_ste(0)
{
history_offset = hsetup->add_history_value("contflag", "0");
if(cmb->is_wall())
error->warning(FLERR,"Using cohesion model easo/capillary/viscous for walls only supports dry walls");
}
void registerSettings(Settings& settings)
{
settings.registerOnOff("tangential_reduce",tangentialReduce_,false);
}
inline void postSettings(IContactHistorySetup * hsetup, ContactModelBase *cmb) {}
void connectToProperties(PropertyRegistry & registry)
{
registry.registerProperty("surfaceLiquidContentInitial", &MODEL_PARAMS::createliquidContentInitialEaso);
registry.registerProperty("surfaceTension", &MODEL_PARAMS::createSurfaceTension);
registry.registerProperty("fluidViscosity", &MODEL_PARAMS::createFluidViscosityEaso);
registry.registerProperty("contactAngle", &MODEL_PARAMS::createContactAngle);
registry.registerProperty("minSeparationDistanceRatio", &MODEL_PARAMS::createMinSeparationDistanceRatioEaso);
registry.registerProperty("maxSeparationDistanceRatio", &MODEL_PARAMS::createMaxSeparationDistanceRatioEaso);
registry.connect("surfaceLiquidContentInitial", surfaceLiquidContentInitial,"cohesion_model easo/capillary/viscous");
registry.connect("surfaceTension", surfaceTension,"cohesion_model easo/capillary/viscous");
registry.connect("fluidViscosity", fluidViscosity,"cohesion_model easo/capillary/viscous");
registry.connect("contactAngle", contactAngle,"cohesion_model easo/capillary/viscous");
registry.connect("minSeparationDistanceRatio", minSeparationDistanceRatio,"cohesion_model easo/capillary/viscous");
registry.connect("maxSeparationDistanceRatio", maxSeparationDistanceRatio,"cohesion_model easo/capillary/viscous");
ln1overMinSeparationDistanceRatio = log(1./minSeparationDistanceRatio);
fix_ste = modify->find_fix_scalar_transport_equation("liquidtransfer");
if(!fix_ste)
{
char initstr[200];
sprintf(initstr,"%e",surfaceLiquidContentInitial);
const char * newarg[15];
newarg[0] = "liquidtransfer";
newarg[1] = "all";
newarg[2] = "transportequation/scalar";
newarg[3] = "equation_id";
newarg[4] = "liquidtransfer";
newarg[5] = "quantity";
newarg[6] = "surfaceLiquidContent";
newarg[7] = "default_value";
newarg[8] = initstr;
newarg[9] = "flux_quantity";
newarg[10] = "liquidFlux";
newarg[11] = "source_quantity";
newarg[12] = "liquidSource";
newarg[13] = "capacity_quantity";
newarg[14] = "none";
modify->add_fix(15,const_cast<char**>(newarg));
}
fix_surfaceliquidcontent = static_cast<FixPropertyAtom*>(modify->find_fix_property("surfaceLiquidContent","property/atom","scalar",0,0,"cohesion_model easo/capillary/viscous"));
fix_liquidflux = static_cast<FixPropertyAtom*>(modify->find_fix_property("liquidFlux","property/atom","scalar",0,0,"cohesion_model easo/capillary/viscous"));
fix_ste = modify->find_fix_scalar_transport_equation("liquidtransfer");
if(!fix_surfaceliquidcontent || !fix_liquidflux || !fix_ste)
error->all(FLERR,"internal error");
// error checks on coarsegraining
if(force->cg_active())
error->cg(FLERR,"cohesion model easo/capillary/viscous");
const char* neigharg[2];
neigharg[0] = "contact_distance_factor";
char arg2[30];
sprintf(arg2,"%e",maxSeparationDistanceRatio*1.1);
neigharg[1] = arg2;
neighbor->modify_params(2,const_cast<char**>(neigharg));
if(maxSeparationDistanceRatio < 1.0)
error->one(FLERR,"\n\ncohesion model easo/capillary/viscous requires maxSeparationDistanceRatio >= 1.0. Please increase this value.\n");
}
inline void endSurfacesIntersect(SurfacesIntersectData &sidata, ForceData&, ForceData&) {}
void beginPass(SurfacesIntersectData&, ForceData&, ForceData&){}
void endPass(SurfacesIntersectData&, ForceData&, ForceData&){}
void surfacesIntersect(SurfacesIntersectData & sidata, ForceData & i_forces, ForceData & j_forces)
{
const int i = sidata.i;
const int j = sidata.j;
const int itype = sidata.itype;
const int jtype = sidata.jtype;
const double radi = sidata.radi;
const double radj = sidata.is_wall ? radi : sidata.radj;
const double radsum = sidata.radsum;
double const *surfaceLiquidContent = fix_surfaceliquidcontent->vector_atom;
if(sidata.contact_flags) *sidata.contact_flags |= CONTACT_COHESION_MODEL;
double * const contflag = &sidata.contact_history[history_offset];
// store for noCollision
contflag[0] = 1.0;
const double volLi1000 = /* 4/3 * 1000 */ 1333.333333*M_PI*radi*radi*radi*surfaceLiquidContent[i];
const double volLj1000 = /* 4/3 * 1000 */ sidata.is_wall ? 0.0 : 1333.333333*M_PI*radj*radj*radj*surfaceLiquidContent[j];
const double volLiBond1000 = 0.5*volLi1000*(1.-sqrt(1.-radj*radj/(radsum*radsum)));
const double volLjBond1000 = 0.5*volLj1000*(1.-sqrt(1.-radi*radi/(radsum*radsum)));
const double volBond1000 = volLiBond1000+volLjBond1000;
// skip if bond volume too small
if(volBond1000 < 1e-14) return;
const double rEff = radi*radj / (radi+radj);
const double contactAngleEff = 0.5 * contactAngle[itype] * contactAngle[jtype];
// capilar force
// this is from Soulie et al, Intl. J Numerical and Analytical Methods in Geomechanics
// 30 (2006), 213-228, Eqn. 13,14; separation distance = 0 in this case
const double R2 = (radi >=radj) ? radi : radj;
const double R2inv = 1./R2;
const double volBondScaled = volBond1000*R2inv*0.001*R2inv*R2inv;
const double Bparam = (-0.148*log(volBondScaled)-0.96)*contactAngleEff*contactAngleEff - 0.0082*log(volBondScaled) + 0.48;
const double Cparam = 0.0018*log(volBondScaled)+0.078;
const double Fcapilary = - M_PI*surfaceTension*sqrt(radi*radj)*(exp(Bparam)+Cparam);
// viscous force
// this is from Nase et al as cited in Shi and McCarthy, Powder Technology, 184 (2008), 65-75, Eqns 40,41
const double stokesPreFactor = -6.*M_PI*fluidViscosity*rEff;
const double FviscN = stokesPreFactor*sidata.vn/minSeparationDistanceRatio;
const double FviscT_over_vt = (/* 8/15 */ 0.5333333*ln1overMinSeparationDistanceRatio + 0.9588) * stokesPreFactor;
// tangential force components
const double Ft1 = FviscT_over_vt*sidata.vtr1;
const double Ft2 = FviscT_over_vt*sidata.vtr2;
const double Ft3 = FviscT_over_vt*sidata.vtr3;
// torques
const double tor1 = sidata.en[1] * Ft3 - sidata.en[2] * Ft2;
const double tor2 = sidata.en[2] * Ft1 - sidata.en[0] * Ft3;
const double tor3 = sidata.en[0] * Ft2 - sidata.en[1] * Ft1;
// add to fn, Ft
if(tangentialReduce_) sidata.Fn += Fcapilary+FviscN;
//sidata.Ft += ...
// apply normal and tangential force
const double fx = (Fcapilary+FviscN) * sidata.en[0] + Ft1;
const double fy = (Fcapilary+FviscN) * sidata.en[1] + Ft2;
const double fz = (Fcapilary+FviscN) * sidata.en[2] + Ft3;
// return resulting forces
if(sidata.is_wall) {
const double area_ratio = sidata.area_ratio;
i_forces.delta_F[0] += fx * area_ratio;
i_forces.delta_F[1] += fy * area_ratio;
i_forces.delta_F[2] += fz * area_ratio;
i_forces.delta_torque[0] += -sidata.cri * tor1 * area_ratio;
i_forces.delta_torque[1] += -sidata.cri * tor2 * area_ratio;
i_forces.delta_torque[2] += -sidata.cri * tor3 * area_ratio;
} else {
i_forces.delta_F[0] += fx;
i_forces.delta_F[1] += fy;
i_forces.delta_F[2] += fz;
i_forces.delta_torque[0] += -sidata.cri * tor1;
i_forces.delta_torque[1] += -sidata.cri * tor2;
i_forces.delta_torque[2] += -sidata.cri * tor3;
j_forces.delta_F[0] -= fx;
j_forces.delta_F[1] -= fy;
j_forces.delta_F[2] -= fz;
j_forces.delta_torque[0] += -sidata.crj * tor1;
j_forces.delta_torque[1] += -sidata.crj * tor2;
j_forces.delta_torque[2] += -sidata.crj * tor3;
}
}
void surfacesClose(SurfacesCloseData & scdata, ForceData & i_forces, ForceData & j_forces)
{
double * const contflag = &scdata.contact_history[history_offset];
// 3 cases: (i) no bridge present, (ii) bridge active, (iii) bridge breaks this step
// for this model, bridge is created at contact and breaks at rupture distancy
// case (i) no bridge
if(!MathExtraLiggghts::compDouble(contflag[0],1.0,1e-6))
{
if(scdata.contact_flags) *scdata.contact_flags &= ~CONTACT_COHESION_MODEL;
return;
}
// cases (i) and (ii)
const int i = scdata.i;
const int j = scdata.j;
const int itype = scdata.itype;
const int jtype = scdata.jtype;
const double radi = scdata.radi;
const double radj = scdata.is_wall ? radi : scdata.radj;
const double r = sqrt(scdata.rsq);
const double radsum = scdata.radsum;
const double dist = scdata.is_wall ? r - radi : r - (radi + radj);
double const *surfaceLiquidContent = fix_surfaceliquidcontent->vector_atom;
const double volLi1000 = /* 4/3 * 1000 */ 1333.333333*M_PI*radi*radi*radi*surfaceLiquidContent[i];
const double volLj1000 = /* 4/3 * 1000 */ scdata.is_wall ? 0.0 : 1333.333333*M_PI*radj*radj*radj*surfaceLiquidContent[j];
const double volLiBond1000 = 0.5*volLi1000*(1.-sqrt(1.-radj*radj/(radsum*radsum)));
const double volLjBond1000 = 0.5*volLj1000*(1.-sqrt(1.-radi*radi/(radsum*radsum)));
const double volBond1000 = volLiBond1000+volLjBond1000;
const double rEff = radi*radj / (radi+radj);
const double contactAngleEff = 0.5 * contactAngle[itype] * contactAngle[jtype];
const double distMax = (1. + 0.5*contactAngleEff) * cbrt(volBond1000) *0.1;
// check if liquid bridge exists
bool bridge_active = false, bridge_breaks = false;
if (dist > (maxSeparationDistanceRatio-1.0)*(radi+radj) && MathExtraLiggghts::compDouble(contflag[0],1.0,1e-6)) // in this case always break
{
bridge_breaks = true;
}
else if (dist < distMax && dist < (maxSeparationDistanceRatio-1.0)*(radi+radj) )
bridge_active = true;
else if(MathExtraLiggghts::compDouble(contflag[0],1.0,1e-6)) // can only break if exists
bridge_breaks = true;
// case (ii)
if(bridge_active)
{
if(scdata.contact_flags) *scdata.contact_flags |= CONTACT_COHESION_MODEL;
double **v = atom->v;
// store for next step
contflag[0] = 1.0;
// skip if bond volume too small
if(volBond1000 < 1e-14) return;
// calculate forces, case no collision
// capilary force
// this is from Soulie et al, Intl. J Numerical and Analytical Methods in Geomechanics
// 30 (2006), 213-228, Eqn. 13,14; separation distance = 0 in this case
const double R2 = (radi >=radj) ? radi : radj;
const double R2inv = 1./R2;
const double volBondScaled = volBond1000*R2inv*0.001*R2inv*R2inv;
const double Aparam = -1.1*pow((volBondScaled),-0.53);
const double Bparam = (-0.148*log(volBondScaled)-0.96)*contactAngleEff*contactAngleEff - 0.0082*log(volBondScaled) + 0.48;
const double Cparam = 0.0018*log(volBondScaled)+0.078;
const double Fcapilary = - M_PI*surfaceTension*sqrt(radi*radj)*(exp(Aparam*dist/R2+Bparam)+Cparam);
// calculate vn and vt since not in struct
const double rinv = 1.0 / r;
const double dx = scdata.delta[0];
const double dy = scdata.delta[1];
const double dz = scdata.delta[2];
const double enx = dx * rinv;
const double eny = dy * rinv;
const double enz = dz * rinv;
// relative translational velocity
const double vr1 = v[i][0] - v[j][0];
const double vr2 = v[i][1] - v[j][1];
const double vr3 = v[i][2] - v[j][2];
// normal component
const double vn = vr1 * enx + vr2 * eny + vr3 * enz;
const double vn1 = vn * enx;
const double vn2 = vn * eny;
const double vn3 = vn * enz;
// tangential component
const double vt1 = vr1 - vn1;
const double vt2 = vr2 - vn2;
const double vt3 = vr3 - vn3;
// relative rotational velocity
double wr1, wr2, wr3;
double const *omega_i = atom->omega[i];
double const *omega_j = atom->omega[j];
if(scdata.is_wall) {
wr1 = radi * omega_i[0] * rinv;
wr2 = radi * omega_i[1] * rinv;
wr3 = radi * omega_i[2] * rinv;
} else {
wr1 = (radi * omega_i[0] + radj * omega_j[0]) * rinv;
wr2 = (radi * omega_i[1] + radj * omega_j[1]) * rinv;
wr3 = (radi * omega_i[2] + radj * omega_j[2]) * rinv;
}
// relative velocities
const double vtr1 = vt1 - (dz * wr2 - dy * wr3);
const double vtr2 = vt2 - (dx * wr3 - dz * wr1);
const double vtr3 = vt3 - (dy * wr1 - dx * wr2);
// viscous force
// this is from Nase et al as cited in Shi and McCarthy, Powder Technology, 184 (2008), 65-75, Eqns 40,41
const double stokesPreFactor = -6.*M_PI*fluidViscosity*rEff;
const double FviscN = stokesPreFactor*vn/MathExtraLiggghts::max(minSeparationDistanceRatio,dist/rEff);
const double FviscT_over_vt = (/* 8/15 */ 0.5333333*log(1./MathExtraLiggghts::max(minSeparationDistanceRatio,dist/rEff)) + 0.9588) * stokesPreFactor;
// tangential force components
const double Ft1 = FviscT_over_vt*vtr1;
const double Ft2 = FviscT_over_vt*vtr2;
const double Ft3 = FviscT_over_vt*vtr3;
// torques
const double tor1 = eny * Ft3 - enz * Ft2;
const double tor2 = enz * Ft1 - enx * Ft3;
const double tor3 = enx * Ft2 - eny * Ft1;
// add to fn, Ft
//if(tangentialReduce_) scdata.Fn += Fcapilary+FviscN;
//scdata.Ft += ...
// apply normal and tangential force
const double fx = (Fcapilary+FviscN) * enx + Ft1;
const double fy = (Fcapilary+FviscN) * eny + Ft2;
const double fz = (Fcapilary+FviscN) * enz + Ft3;
scdata.has_force_update = true;
// return resulting forces
if(scdata.is_wall) {
const double area_ratio = scdata.area_ratio;
i_forces.delta_F[0] += fx * area_ratio;
i_forces.delta_F[1] += fy * area_ratio;
i_forces.delta_F[2] += fz * area_ratio;
i_forces.delta_torque[0] += -radi * tor1 * area_ratio;
i_forces.delta_torque[1] += -radi * tor2 * area_ratio;
i_forces.delta_torque[2] += -radi * tor3 * area_ratio;
} else {
i_forces.delta_F[0] += fx;
i_forces.delta_F[1] += fy;
i_forces.delta_F[2] += fz;
i_forces.delta_torque[0] += -radi * tor1; // using radius here, not contact radius
i_forces.delta_torque[1] += -radi * tor2;
i_forces.delta_torque[2] += -radi * tor3;
j_forces.delta_F[0] -= fx;
j_forces.delta_F[1] -= fy;
j_forces.delta_F[2] -= fz;
j_forces.delta_torque[0] += -radj * tor1; // using radius here, not contact radius
j_forces.delta_torque[1] += -radj * tor2;
j_forces.delta_torque[2] += -radj * tor3;
}
}
// case (iii)
else if(bridge_breaks)
{
if(scdata.contact_flags) *scdata.contact_flags &= ~CONTACT_COHESION_MODEL;
// store for next step
contflag[0] = 0.0;
if (!scdata.is_wall)
{
// liquid transfer happens here
// assume liquid distributes evenly
double *liquidFlux = fix_liquidflux->vector_atom;
const double invdt = 1./update->dt;
const double rad_ratio = radj/radi;
const double split_factor = 1.0/(1.0+rad_ratio*rad_ratio*rad_ratio);
// liquid flux is in vol% per time
liquidFlux[i] += invdt*(split_factor * volBond1000 - volLiBond1000) / (1333.333333*M_PI*radi*radi*radi) ;
if (force->newton_pair || j < atom->nlocal)
liquidFlux[j] += invdt*((1.-split_factor) * volBond1000 - volLjBond1000) / (1333.333333*M_PI*radj*radj*radj) ;
}
}
// no else here, case (i) was already caught before
}
private:
double surfaceLiquidContentInitial, surfaceTension, *contactAngle;
double minSeparationDistanceRatio, maxSeparationDistanceRatio, fluidViscosity;
double ln1overMinSeparationDistanceRatio;
int history_offset;
FixPropertyAtom *fix_surfaceliquidcontent;
FixPropertyAtom *fix_liquidflux;
FixScalarTransportEquation *fix_ste;
bool tangentialReduce_;
};
}
}
#endif // COHESION_MODEL_CAPILLARY_H_
#endif
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