有限和无限尺寸硅烯熔融的分子动力学模拟
Molecular dynamics simulation of melting of finite and infinite size silicene
摘要：
采用张{ \it et al.}优化的Stillinger-Weber（SW）势进行分子动力学（MD）模拟实验，研究了自支撑硅烯的熔融温度。在我们的MD模拟中，很好地捕捉到了独立硅烯的熔融情况。使用一些不同的质量指标，包括热量曲线、径向分布函数和称为“全球相似性指数”的数字指标，对数据进行了系统分析。优化的SW势一致地产生1500~K的熔融温度为模拟的独立的，无限的硅烯。
英文摘要：
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.
机构、总结、中文摘要均由AI分析而来，可能存在错误，请以论文正文为准。
