Lenard-Jones potential in LIGGGHTS 3.2.1

Submitted by Zhenli on Fri, 07/31/2015 - 12:21

Hello, everyone,

I am trying to add the Van der Waals forces in LIGGGHTS 3.2.1. The easiest way should be using the L-J potential. However, the L-j model is not available in the new Version of LIGGGHTS 3.2.1 any more. Could somebody tell me, how can I implement such contact loss forces in LIGGGHTS 3.2.1 without the potential, or is it possible to compile the solver with L-J potential model?

Many thanks!

Zhen

ckloss's picture

ckloss | Wed, 08/05/2015 - 22:57

Hi Zhen,

to add cohesive van der Waals force to macroscopic granular particles, simply using the LJ potential won't do. What you could do is to discretize a macroscopic granular particle with coarse-grained MD particles, and create a look-up table for the cohesive force.

This confusion between micro and macro VDW interaction was also the reason for removing LJ vom LIGGGHTS - but you can of course take the LJ from an older version and use it at your own risk

Best wishes
Christoph

ting.hu@monash.edu | Tue, 09/15/2020 - 04:36

Hi Christoph,
for the discretize a macroscopic granular particle with coarse-grained MD particles, and create a look-up table for the cohesive force, do you have any tutorial, manual, or paper sharing?
I am confused about this method
Thank you in advance
Regards
Ting

Zhenli | Thu, 08/06/2015 - 11:09

Hi, Kloss,

thanks a lot for the reply. I read the paper below recently, a method was formulated to simulate the JKR and VDW forces and the agreement to experiment results is quite well.
I think I would try to take the LJ from the older version and compile it.

Paper. Attractive particle interaction forces and packing density of fine glass powders 2014

qq935074410 | Fri, 07/13/2018 - 21:27

I am also planning to add Van Der Waals force to my model. Did you get that done successfully? Did you publish anything about this?

Thanks,
Mill

ckloss's picture

ckloss | Mon, 08/24/2015 - 10:26

Hi,

sure - feel free to do so!

best wishes
Christoph