updated documentation

This commit is contained in:
Dhairya Vyas
2025-01-09 17:33:08 -06:00
parent db2f5dc407
commit d68287a9c7
3 changed files with 22 additions and 4 deletions

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@ -29,6 +29,9 @@ Examples
pair_style granular
pair_coeff * * hertz/material 1e8 0.3 0.3 tangential mindlin_rescale NULL 1.0 0.4 damping tsuji
pair_style granular
pair_coeff * * hertz/material 1e8 0.3 0.3 tangential mindlin_rescale NULL 1.0 0.4 damping coeff_restitution synchronized_verlet
pair_style granular
pair_coeff 1 * jkr 1000.0 500.0 0.3 10 tangential mindlin 800.0 1.0 0.5 rolling sds 500.0 200.0 0.5 twisting marshall
pair_coeff 2 2 hertz 200.0 100.0 tangential linear_history 300.0 1.0 0.1 rolling sds 200.0 100.0 0.1 twisting marshall
@ -663,6 +666,16 @@ attractive force. This keyword cannot be used with the JKR or DMT models.
----------
The *synchronized_verlet* flag implements an improved Velocity-Verlet integration scheme,
as detailed in :ref:`Vyas et al <Vyas2025>`, to address inaccuracies arising from the time
lag between position and velocity updates in the standard Velocity-Verlet method.
These inaccuracies are particularly significant in polydisperse frictional flows with
large-to-small size ratios greater than three. By synchronizing position and velocity updates
for force evaluation and refining tangential force calculations, the method ensures more
accurate and physically consistent outcomes without any significant influence on computational cost.
----------
The optional *heat* keyword enables heat conduction. The options currently
supported are:
@ -943,3 +956,8 @@ I. Assembling process, geometry, and contact networks. Phys. Rev. E, 76, 061302.
Heat conduction in granular materials.
AIChE Journal, 47(5), 1052-1059.
.. _Vyas2025:
**(Vyas et al, 2025)** Vyas D. R., Ottino J. M., Lueptow R. M., Umbanhowar P. B. (2025).
Improved Velocity-Verlet Algorithm for the Discrete Element Method.
Computer Physics Communications, xx xx

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@ -2,10 +2,10 @@
# Refer https://arxiv.org/abs/2410.14798 for further details
units si
atom_style sphere
atom_style sphere
newton off
boundary p p f
boundary p p f
read_data 3ps.dat
group ps type 1
@ -27,4 +27,4 @@ comm_modify vel yes
thermo 3000
thermo_style custom step ke
run_style verlet
run 300000
run 300000

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@ -30,7 +30,7 @@ using MathSpecial::cube;
using MathSpecial::powint;
using MathSpecial::square;
static constexpr double TWOROOTFIVEBYSIX = 1.82574185835055380345; // 2/sqrt(5/6)
static constexpr double TWOROOTFIVEBYSIX = 1.82574185835055380345; // 2sqrt(5/6)
static constexpr double ROOTTHREEBYTWO = 1.22474487139158894067; // sqrt(3/2)
/* ----------------------------------------------------------------------