Molecular dynamics simulation of melting of finite and infinite size silicene
Materials Science
2018-06-27 v3
Abstract
We report the melting temperature of free-standing silicene by carrying out molecular dynamics (MD) simulation experiments using optimzed Stillinger-Weber (SW) potential by Zhang {\it et al.}. The melting scenario of a free-standing silicene is well captured visually in our MD simulations. The data are systematically analyzed using a few qualitatively different indicators, including caloric curve, radial distribution function and a numerical indicator known as `global similarity index'. The optimized SW potential consistently yield a melting temperature of 1500~K for the simulated free-standing, infinite silicene.
Keywords
Cite
@article{arxiv.1703.01428,
title = {Molecular dynamics simulation of melting of finite and infinite size silicene},
author = {Tjun Kit Min and Tiem Leong Yoon and Thong Leng Lim},
journal= {arXiv preprint arXiv:1703.01428},
year = {2018}
}
Comments
19 pages, 8 figures