文章基本信息

标题：The displacement field associated with the freezing of a melt and its role in determining crystal growth kinetics
本地全文：下载
作者：Gang Sun ; Alexander Hawken ; Peter Harrowell 等
期刊名称：Proceedings of the National Academy of Sciences
印刷版ISSN：0027-8424
电子版ISSN：1091-6490
出版年度：2020
卷号：117
期号：7
页码：3421-3426
DOI：10.1073/pnas.1915806117
出版社：The National Academy of Sciences of the United States of America
摘要：The atomic displacements associated with the freezing of metals and salts are calculated by treating crystal growth as an assignment problem through the use of an optimal transport algorithm. Converting these displacements into timescales based on the dynamics of the bulk liquid, we show that we can predict the activation energy for crystal growth rates, including activation energies significantly smaller than those for atomic diffusion in the liquid. The exception to this success, pure metals that freeze into face-centered cubic crystals with little to no activation energy, are discussed. The atomic displacements generated by the assignment algorithm allows us to quantify the key roles of crystal structure and liquid caging length in determining the temperature dependence of crystal growth kinetics.
关键词：crystal growth kinetics ; freezing transitions ; liquid structure