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
Text
89.pdf Restricted to Repository staff only Download (5MB) |
Official URL: https://doi.org/10.1088/2053-1591%2Faacdb7
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 |
Downloads
Downloads per month over past year
Edit (login required) |