英语润色:DeepL Write 人工智能写作助手

本文详细比较了单相法、滞回法、Z法等在内的多种熔点计算方法在分子动力学模拟中的准确性与效率,特别关注了对完美晶体、缺陷晶体及固液界面的处理,以期为MD模拟提供全面评估。
摘要由CSDN通过智能技术生成

图片


================================

分享一个语言润色方面非常受用的翻译软件,网址:

https://www.deepl.com/write

Figure 1

图片

Figure 2

图片

Figure 3

图片


“Machine learning approaches have been extensively applied to improve the accuracy and reliability of potentials, addressing inherent limitations in molecular dynamics (MD) simulations. Notably, the precise determination of the melting temperature (Tm) relies on MD simulations, necessitating a comprehensive review of available melting models. This study aims to present a thorough comparison of various melting methods, including the single–phase method, hysteresis method, Z method, modified Z method, void method, modified void method, two–phase method, and sandwich method, considering both accuracy and efficiency. These melting models are systematically categorized into three groups: perfect crystals, crystal defects, and solid–liquid interfaces. ”

图片

文章题目:

A comprehensive investigation on the accuracy and efficiency of methods for melting temperature calculation using molecular dynamics simulations  

文章链接:

https://doi.org/10.1016/j.molliq.2023.123924

================================

微 信 公 众 号原子与分子模拟

  • 4
    点赞
  • 3
    收藏
    觉得还不错? 一键收藏
  • 0
    评论
评论
添加红包

请填写红包祝福语或标题

红包个数最小为10个

红包金额最低5元

当前余额3.43前往充值 >
需支付:10.00
成就一亿技术人!
领取后你会自动成为博主和红包主的粉丝 规则
hope_wisdom
发出的红包
实付
使用余额支付
点击重新获取
扫码支付
钱包余额 0

抵扣说明:

1.余额是钱包充值的虚拟货币,按照1:1的比例进行支付金额的抵扣。
2.余额无法直接购买下载,可以购买VIP、付费专栏及课程。

余额充值