Identification of critical nuclei in the rapid solidification via configuration heredity
Li,Yuan1; Peng,Ping1; Xu,Dongsheng2; Yang,Rui2
Corresponding AuthorPeng,Ping()
Source PublicationJournal of Physics: Condensed Matter
AbstractAbstractThe 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.
Keywordcritical nucleus configuration heredity rapid solidification homogeneous nucleation
WOS IDIOP:0953-8984-33-17-abe0e1
PublisherIOP Publishing
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Document Type期刊论文
Corresponding AuthorPeng,Ping
Affiliation1.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
Recommended Citation
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).
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