An Overview on Atomistic Mechanisms of Heterogeneous Nucleation

Author:

Fan ZhongyunORCID,Men Hua

Abstract

Our current understanding of heterogeneous nucleation has been dominated by the classical nucleation theory (CNT) with little progress of significance being made in past 100 years. In recent years under the financial support from EPSRC for the LiME Research Hub, we have made substantial progress on understanding heterogeneous nucleation at atomic level using a combination of molecular dynamics simulations and advanced high-resolution electron microscopy. We found that heterogeneous nucleation proceeds through a three-layer nucleation mechanism to produce a 2D nucleus. The atomistic mechanisms responsible for accommodating lattice misfit are dependent on misfit (f): (1) for systems with small negative misfit (−12.5% < f < 0), misfit is accommodated by dislocation mechanism; (2) for systems with small positive misfit (0 < f < 12.5%), misfit is accommodated by vacancy mechanism; and (3) for systems with large misfit (|f| > 12.5%), misfit is accommodated in two steps: formation of coincidence site lattice during prenucleation to accommodate the major misfit (fcsL) and the residual misfit (fr) is accommodated during heterogeneous nucleation by the dislocation mechanism if the residual misfit is less than 0 or by the vacancy mechanism if the residual misfit is larger than 0. Further analysis suggests that heterogeneous nucleation is spontaneous thus barrierless and deterministic rather than stochastic.

Funder

EPSRC

Publisher

MDPI AG

Subject

General Materials Science,Metals and Alloys

Cited by 17 articles. 订阅此论文施引文献 订阅此论文施引文献,注册后可以免费订阅5篇论文的施引文献,订阅后可以查看论文全部施引文献

同舟云学术

1.学者识别学者识别

2.学术分析学术分析

3.人才评估人才评估

"同舟云学术"是以全球学者为主线,采集、加工和组织学术论文而形成的新型学术文献查询和分析系统,可以对全球学者进行文献检索和人才价值评估。用户可以通过关注某些学科领域的顶尖人物而持续追踪该领域的学科进展和研究前沿。经过近期的数据扩容,当前同舟云学术共收录了国内外主流学术期刊6万余种,收集的期刊论文及会议论文总量共计约1.5亿篇,并以每天添加12000余篇中外论文的速度递增。我们也可以为用户提供个性化、定制化的学者数据。欢迎来电咨询!咨询电话:010-8811{复制后删除}0370

www.globalauthorid.com

TOP

Copyright © 2019-2024 北京同舟云网络信息技术有限公司
京公网安备11010802033243号  京ICP备18003416号-3