# Molecular dynamics simulation of melting of finite and infinite size   silicene

**Authors:** Tjun Kit Min, Tiem Leong Yoon, Thong Leng Lim

arXiv: 1703.01428 · 2018-06-27

## TL;DR

This study uses molecular dynamics simulations with an optimized Stillinger-Weber potential to determine that free-standing silicene melts at approximately 1500 K, providing visual and quantitative analysis of the melting process.

## Contribution

First systematic MD simulation of silicene melting using an optimized potential, offering detailed indicators and a consistent melting temperature.

## Key findings

- Melting temperature of silicene is about 1500 K.
- Melting scenario is visually captured and analyzed.
- Multiple indicators confirm the melting point.

## 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.

## Full text

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## Figures

8 figures with captions in the complete paper: https://tomesphere.com/paper/1703.01428/full.md

## References

15 references — full list in the complete paper: https://tomesphere.com/paper/1703.01428/full.md

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Source: https://tomesphere.com/paper/1703.01428