fix nve/cfd_cn/nonspherical command

Purpose

Integrator for coupled CFD-DEM simulations for nonspherical particles.

Syntax

fix ID group-ID nve/cfd_cn/nonspherical

  • ID, group-ID are documented in fix command

  • nve/cfd_cn/nonspherical = style name of this fix command

  • zero or more keyword/value pairs may be appended

implicitTorque value = yes or no
  tells the integrator if it should integrate hydrodynamic torque
  explicitly or implicitly
CrankNicolson value = CNalpha
  CNalpha = Crank-Nicolson coefficient for hybrid explicit-implicit
  velocity integration
useTorqueIterations value = yes or no
  tells the integrator if it should integrate hydrodynamic torque iteratively.
  This setting is only valid in combination with implicitTorque yes

Examples

fix 1 all nve/cfd_cn/nonspherical
fix 1 all nve/cfd_cn/nonspherical CrankNicolson 1.0

Description

Perform constant NVE integration to update position, velocity, angular velocity and orientation for finite-size non-spherical (superquadric or multisphere) particles in the group each timestep in the presence of fluid. V is volume; E is energy. This creates a system trajectory consistent with the microcanonical ensemble.

This fix is similar to the fix nve/cfd_cn/sphere command. In addition to this fix, particle orientation is integrated.

If the Crank-Nicolson keyword is present, Crank-Nicolson integration scheme with given CNalpha is applied, otherwise the default value is chosen.

When the CAddRhoFluid keyword is active, couple/cfd/force will consider added mass, where CAddRhoFluid = rhoFluid / rhoParticle.

Restart, fix_modify, output, run start/stop, minimize info

No information about this fix is written to binary restart files. None of the fix_modify options are relevant to this fix. No global or per-atom quantities are stored by this fix for access by various output commands. No parameter of this fix can be used with the start/stop keywords of the run command. This fix is not invoked during energy minimization.

Restrictions

This command is only valid in coupled simulations.

This fix requires atom_style superquadric or fix nve/multisphere