Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface

doi:10.1016/j.jnucmat.2021.153107

	Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface
	Zhou, Ting 1,2; Gao, Xing 1,2; Ma, Zhiwei 1,2; Chang, Hailong 1,2; Shen, Tielong 1,2; Wang, Zhiguang 1,2
刊名	JOURNAL OF NUCLEAR MATERIALS
	2021-11-01
卷号	555 页码:8
关键词	Classical molecular dynamics bcc Fe(100)-liquid lead-bismuth eutectic(LBE) solid-liquid interface bismuth eutectic (LBE) solid Corrosion Diffusion
ISSN号	0022-3115
DOI	10.1016/j.jnucmat.2021.153107
通讯作者	Wang, Zhiguang()
英文摘要	Behaviors of body centered cubic (bcc) Fe(100)-liquid lead-bismuth eutectic (LBE) solid-liquid interface have been studied by classical molecular dynamics simulation (MD) with embedded-atom model potential under anaerobic conditions. Both static and dynamic simulation results indicate that Fe atoms prefer to bind with Bi atoms rather than Pb atoms. Trajectories of Bi and Pb perpendicular to the interface show obvious thermal vibrations of both liquid components at the time scale of about 0.9 ns for atoms Bi, and about 0.3 ns for atoms Pb, respectively. Temperature effect on penetration of liquid atoms into bulk Fe and dissolution of Fe into liquid in the solid-liquid interface system show that interactions between the bcc Fe(100) and liquid LBE mount perceptibly in the temperature range of 823 to 873 K. This result indicates that the critical temperature of the interaction between the bcc Fe(100) and liquid LBE is between 823 K and 873 K, which is consistent with the designed operating temperature for LBE coolant. (c) 2021 Elsevier B.V. All rights reserved.
资助项目	[U1832206]
WOS关键词	MOLECULAR-DYNAMICS SIMULATION ; MARTENSITIC STEEL ; LEAD ; CORROSION ; TEMPERATURE ; IMPURITIES ; T91
WOS研究方向	Materials Science ; Nuclear Science & Technology
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000686064900010
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/136608]
专题	中国科学院近代物理研究所
通讯作者	Wang, Zhiguang
作者单位	1.Univ Chinese Acad Sci, Sch Nucl Sci & Technol, Beijing 100049, Peoples R China 2.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China
推荐引用方式 GB/T 7714	Zhou, Ting,Gao, Xing,Ma, Zhiwei,et al. Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface[J]. JOURNAL OF NUCLEAR MATERIALS,2021,555:8.
APA	Zhou, Ting,Gao, Xing,Ma, Zhiwei,Chang, Hailong,Shen, Tielong,&Wang, Zhiguang.(2021).Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface.JOURNAL OF NUCLEAR MATERIALS,555,8.
MLA	Zhou, Ting,et al."Atomistic simulation of alpha-Fe(100)-lead-bismuth eutectic (LBE) solid-liquid interface".JOURNAL OF NUCLEAR MATERIALS 555(2021):8.