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arXiv · 1703.01428

Molecular dynamics simulation of melting of finite and infinite size silicene

Tjun Kit Min·Tiem Leong Yoon·Thong Leng Lim
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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.

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Tjun Kit Min, Tiem Leong Yoon, Thong Leng Lim. 2017-03-04. Molecular dynamics simulation of melting of finite and infinite size silicene. https://doi.org/10.1088/2053-1591%2Faacdb7

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