We report the improvement of five argon force fields by scaling Lennard-Jones energy (ϵ) and distance (σ) parameters to reproduce liquid-vapor phase diagram and surface tension simultaneously, with molecular dynamics. Original force fields reproduce only liquid-vapor phase diagram among other properties except surface tension. Results showed that all force fields converge in a nearby region in the ϵ-σ phase space, which is different from the original values. This study gives the intervals where the numerical values of ϵ and σ reproduce both properties mentioned above.
Cite
@article{arxiv.2201.08155,
title = {Argon force field revisited: a molecular dynamic study},
author = {José Guillermo Méndez-Bermúdez and Iván Guillén-Escamilla and Gloria Arlette Méndez-Maldonado and José Abundio Daniel Alva-Tamayo},
journal= {arXiv preprint arXiv:2201.08155},
year = {2022}
}