Citation

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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Abstract

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
URII:	http://shdl.mmu.edu.my/id/eprint/7391

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