Molecular dynamics simulation of melting of silicene


Min, Tjun Kit and Yoon, Tiem Leong and Lim, Thong Leng (2018) Molecular dynamics simulation of melting of silicene. Materials Research Express, 5 (6). 065054. ISSN 2053-1591

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We report the melting temperature of free-standing silicene by carrying out molecular dynamics (MD) simulation experiments using optimized Stillinger-Weber (SW) potential by Zhang et al (2014 Phys. Rev. B 89 054310). 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 yields a melting temperature of 1500 K for the simulated free-standing, infinite silicene

Item Type: Article
Uncontrolled Keywords: Molecular dynamics, Melting, Silicene, Optimized StillingerWeber potential
Subjects: Q Science > QP Physiology
Divisions: Faculty of Engineering and Technology (FET)
Depositing User: Ms Rosnani Abd Wahab
Date Deposited: 18 Nov 2020 10:15
Last Modified: 18 Nov 2020 10:15


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