coarsegraining command

Syntax

coarsegraining cg_factor args
  • cg_factor = coarse-graining factor to be applied (dimensionless)

  • args = model_check

    model_check = error or warn

Examples

coarsegraining 2.0

Description

Coarsegraining is a methodology to reduce the computational effort of a DEM calculation by scaling up the particle size by a coarse-graining factor (cg_factor). Thereby, the model size decreases by factor cg-factor^3.

However, changing particle size will change the physics of the model. On the particle scale, this change is obviously inevitable. However, in many cases model constants can be adapted so that on the bulk scale the change of the physics caused by the coarse-graining model is acceptable. See e.g. (Radl) and (Bierwisch) for details.

Some of the models in LIGGGHTS support scaling of the model constants to counteract this change in physics on the bulk scale. Moreover, some commands (such as insertion commands or the neighbor command) re-scale some of their length scales. Using model_check = error will throw an error if a model/command does not yield consistent results with coarse-graining. Using model_check = warn will issue a warning if a model/command does not yield consistent results with coarse-graining.

Model overview:

This table provides an overview of how different models behave when coarsegraining is used. Some models scale length-scales, other models scale model parameters to make results more coarse-graining consistent. Models that are not mentioned here are not affected by using the coarsegraining command

create_atoms

not supported

fix addforce

not supported / inconsistent

fix drag

not supported / inconsistent

fix dragforce

downscaling of A, Re; upscaling of dragforce

fix efield

not supported / inconsistent

fix heat/gran/conduction

not supported / inconsistent

fix mesh/surface/stress

Finnie wear model

inherently compatible

fix particletemplate/sphere

radius -> cg_factor*radius

fix particletemplate/multisphere

radius -> cg_factor*radius

fix spring

not supported / inconsistent

fix spring/rg

not supported / inconsistent

fix spring/self

not supported / inconsistent

fix viscous

not supported / inconsistent

neighbor

skin -> cg_factor*skin

pair gran/*

any cohesion or rolling friction model

not supported / inconsistent

pair gran/hertz/history

base model

inherently compatible

pair gran/hooke/history base model

base model

inherently compatible

pair gran/hooke base model

base model

inherently compatible

pair gran/hertz/history/stiffness

not supported / inconsistent

pair gran/hooke/history/stiffness

base model with damp_massflag=0

kn -> cg_factor*kn, gamman -> cg_factor^2*gamman

pair gran/hooke/history/stiffness

base model with damp_massflag=1

kn -> cg_factor*kn, gamman -> gamman/cg_factor

pair gran/hooke/stiffness

base model with damp_massflag=0

kn -> cg_factor*kn, gamman -> cg_factor^2*gamman

pair gran/hooke/stiffness

base model with damp_massflag=1

kn -> cg_factor*kn, gamman -> gamman/cg_factor

set

diameter -> cg_factor*diameter

Warning

Even if a model does not support proper coarse graining, in many cases it will still be possible to calibrate the model constant manually to capture the bulk scale physics with a coarse-grained model.

Restrictions

General warning: Coarse graining is an approximative method and will _never_ deliver exactly the same results than a fine-grained simulation.

One natural restriction is that the ratio of geometry length scale to particle length scale should be >> 1 when coarse graining is applied.

See description above the fact that not all LIGGGHTS models will deliver consistent results with coarse-graining ratios > 1.

Related commands: see table above

Default: cg_factor = 1 (no coarse-graining applied)


(Radl) S. Radl et. al., PARCEL-BASED APPROACH FOR THE SIMULATION OF GAS-PARTICLE FLOWS, Proc. 8th International Conference on CFD in Oil & Gas, Metallurgical and Process Industries, 2011

(Bierwisch) Journal of the Mechanics and Physics of Solids, Volume 57, Issue 1, January 2009, Pages 10ff