A quantitative analysis of an in situ Xe ion implantation experiment on single crystal molybdenum via a molecular dynamics informed kinetic rate theory simulation

doi:10.1016/j.jnucmat.2020.152409

	A quantitative analysis of an in situ Xe ion implantation experiment on single crystal molybdenum via a molecular dynamics informed kinetic rate theory simulation
	Yun, Di 2,7; Rest, Jeff 6; Zhang, Wenhua 5; Xie, Xin 2; Liu, Wenbo 2; Gu, Long 1,3,4
刊名	JOURNAL OF NUCLEAR MATERIALS
	2020-11-01
卷号	540 页码:8
关键词	Kinetic rate theory Molecular dynamics Fission gas Diffusion Molybdenum
ISSN号	0022-3115
DOI	10.1016/j.jnucmat.2020.152409
通讯作者	Yun, Di(diyun1979@xjtu.edu.cn) ; Gu, Long()
英文摘要	Kinetic rate theory is a mature method that has long been used to model fission gas behaviors in nuclear fuels. However, uncertainties remaining in the key parameters of the kinetic rate theory models often lead to doubts in the accuracy of this method. In this work, the results of an in situ Xe ion implantation experiment at the IVEM facility were interpreted via a Molecular Dynamics (MD) informed kinetic rate theory simulation. The complexity of the rate theory model is significantly reduced according to some key experimental information. The MD method was used to supply the irradiation-enhanced Xe diffusion coefficient to the rate theory model. The bubble nucleation factor and the bubble resolution coefficient were also determined. A parametric study was performed to gauge the sensitivity of the calculation results to the distribution of the irradiation-enhanced Xe diffusion coefficient, the value of the bubble nucleation factor, and the resolution coefficient. It was shown that the calculated bubble size distribution is highly sensitive to all these parameters. (C) 2020 Elsevier B.V. All rights reserved.
资助项目	National Natural Science Foundation of China[11675126] ; National Natural Science Foundation of China[11705255] ; Shanghai Economic and Information Technology Commission[GYQJ-2018-2-02]
WOS关键词	FISSION-GAS BEHAVIOR ; SWELLING MODEL ; RE-SOLUTION ; UO2 ; RELEASE ; FUEL ; IRRADIATION ; BUBBLES ; PRECIPITATION ; NUCLEATION
WOS研究方向	Materials Science ; Nuclear Science & Technology
语种	英语
出版者	ELSEVIER
WOS记录号	WOS:000575164500003
资助机构	National Natural Science Foundation of China ; Shanghai Economic and Information Technology Commission
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/139711]
专题	中国科学院近代物理研究所
通讯作者	Yun, Di; Gu, Long
作者单位	1.Lanzhou Univ, Sch Nucl Sci & Technol, Lanzhou 730000, Peoples R China 2.Xi An Jiao Tong Univ, Sch Nucl Sci & Technol, 28 W Xianning Rd, Xian 710049, Peoples R China 3.Chinese Acad Sci, Inst Modern Phys, Lanzhou 730000, Peoples R China 4.Univ Chinese Acad Sci, Beijing 100049, Peoples R China 5.Shanghai Nucl Engn Res & Design Inst Co Ltd, 29 Hongcao Rd, Shanghai 200233, Peoples R China 6.POB 3194, Lisle, IL 60532 USA 7.Xi An Jiao Tong Univ, State Key Lab Multiphase Flow, 28 W Xianning Rd, Xian 710049, Peoples R China
推荐引用方式 GB/T 7714	Yun, Di,Rest, Jeff,Zhang, Wenhua,et al. A quantitative analysis of an in situ Xe ion implantation experiment on single crystal molybdenum via a molecular dynamics informed kinetic rate theory simulation[J]. JOURNAL OF NUCLEAR MATERIALS,2020,540:8.
APA	Yun, Di,Rest, Jeff,Zhang, Wenhua,Xie, Xin,Liu, Wenbo,&Gu, Long.(2020).A quantitative analysis of an in situ Xe ion implantation experiment on single crystal molybdenum via a molecular dynamics informed kinetic rate theory simulation.JOURNAL OF NUCLEAR MATERIALS,540,8.
MLA	Yun, Di,et al."A quantitative analysis of an in situ Xe ion implantation experiment on single crystal molybdenum via a molecular dynamics informed kinetic rate theory simulation".JOURNAL OF NUCLEAR MATERIALS 540(2020):8.