从最小粘度角度重新审视林德曼准则

IF 16.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY
Pablo G. Tello, Sauro Succi
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引用次数: 0

摘要

根据最近建立的最小粘度公式重新审视了林德曼准则,发现了对熔化过程的有趣见解。该方法表明,在考虑无缺陷晶体结构时,熔化涉及电子静止能与温度升高引起的热能之间的竞争。然而,当考虑到空位在熔化过程中的作用时,分析表明关键的竞争因素是热能和空位迁移所需的能量。在这种情况下,林德曼常数的估计值接近于报告值,也接近于最近研究玻恩熔化标准和林德曼熔化标准之间相关性的模拟值。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Revisiting the Lindemann's criterion from a minimal viscosity perspective
A revisiting of the Lindemann criterion under the recently established minimal viscosity formulation is proposed which uncovers intriguing insights into the melting process. The approach suggests that melting involves competition between the electron rest energy and the thermal one caused by temperature increase when considering a defect-free crystal structure. However, when accounting for the role of vacancies in the melting process, the analysis suggests that the key competing factors are the thermal energy and the one needed for vacancy migration. The estimated value of the Lindemann constant, in this case, is close to the reported values and with recent simulations studying the correlation between Born and Lindemann melting criteria.
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来源期刊
Accounts of Chemical Research
Accounts of Chemical Research 化学-化学综合
CiteScore
31.40
自引率
1.10%
发文量
312
审稿时长
2 months
期刊介绍: Accounts of Chemical Research presents short, concise and critical articles offering easy-to-read overviews of basic research and applications in all areas of chemistry and biochemistry. These short reviews focus on research from the author’s own laboratory and are designed to teach the reader about a research project. In addition, Accounts of Chemical Research publishes commentaries that give an informed opinion on a current research problem. Special Issues online are devoted to a single topic of unusual activity and significance. Accounts of Chemical Research replaces the traditional article abstract with an article "Conspectus." These entries synopsize the research affording the reader a closer look at the content and significance of an article. Through this provision of a more detailed description of the article contents, the Conspectus enhances the article's discoverability by search engines and the exposure for the research.
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