Identification of critical nuclei in the rapid solidification via configuration heredity

doi:10.1088/1361-648X/abe0e1

IMR OpenIR

	Identification of critical nuclei in the rapid solidification via configuration heredity
	Li,Yuan 1; Peng,Ping 1; Xu,Dongsheng 2; Yang,Rui 2
通讯作者	Peng,Ping()
	2021-04-21
发表期刊	Journal of Physics: Condensed Matter
ISSN	0953-8984
卷号	33 期号:17
摘要	AbstractThe identification and characterization of critical nuclei is a long-standing issue in the rapid solidification of metals and alloys. An ambiguous description for their sizes and shapes used to lead to an overestimation or underestimation of homogeneous nucleation rates IT in the framework of classical nucleation theory (CNT). In this paper, a unique method able to distinguish the critical nucleus from numerous embryos is put forward on the basis of configuration heredities of clusters during rapid solidifications. As this technique is applied to analyze the formation and evolution of various fcc-Al single crystal clusters in a large-scale molecular dynamics simulation system, it is found that the size nc and geometrical configuration of critical nuclei as well as their liquid–solid interfacial structure can be determined directly. For the present deep super-cooled system with an undercooling of Tm=0.42Tmcal, the average size of critical nuclei is demonstrated to be nc?≈26, but most of which are non-spherical lamellae. Also, their liquid–solid interfaces are revealed to be not an fcc-liquid duplex-phase interface but an fcc/hcp-liquid multi-phase structure. These findings shed some lights on the CNT, and a good agreement with previous simulations and experiments in IT indicates this technique can be used to explore the early-stage of nucleation from atomistic levels.
关键词	critical nucleus configuration heredity rapid solidification homogeneous nucleation
DOI	10.1088/1361-648X/abe0e1
语种	英语
WOS记录号	IOP:0953-8984-33-17-abe0e1
出版者	IOP Publishing
引用统计
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/159383
专题	中国科学院金属研究所
通讯作者	Peng,Ping
作者单位	1.School of Material Science & Engineering, Hunan University, Changsha 410082, People’s Republic of China 2.Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, People’s Republic of China
推荐引用方式 GB/T 7714	Li,Yuan,Peng,Ping,Xu,Dongsheng,et al. Identification of critical nuclei in the rapid solidification via configuration heredity[J]. Journal of Physics: Condensed Matter,2021,33(17).
APA	Li,Yuan,Peng,Ping,Xu,Dongsheng,&Yang,Rui.(2021).Identification of critical nuclei in the rapid solidification via configuration heredity.Journal of Physics: Condensed Matter,33(17).
MLA	Li,Yuan,et al."Identification of critical nuclei in the rapid solidification via configuration heredity".Journal of Physics: Condensed Matter 33.17(2021).