Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation

doi:10.1016/actamat.2015.07.015

	Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation
	Zhang, H. F.1; Yao, B. D.2; Shi, L. Q.1; O'Connor, D. J.3; Huang, J.4; Zhang, J. Y.5; Ding, W.6; Wang, Y. X.1
刊名	ACTA MATERIALIA
	2015-09-15
卷号	97 页码:50-57
关键词	DFT Irradiation effect Uniaxial tension Fracture Ceramics
ISSN号	1359-6454
DOI	10.1016/actamat.2015.07.015
英文摘要	Using the first-principles method based on density functional theory, the effect of helium irradiation on Ti3SiC2 has been investigated. It was observed that helium atoms prefer to accumulate within the layers where Si atoms have been dislodged creating 2-dimensional channels and bubbles which strongly promotes cleavage fractures between adjacent Ti Si layers. At high temperature the He atoms diffuse out of these bubbles enabling the diffusion of the mobile Si back to their original sites and the annealing of the material back to the original structure. This behavior may play a positive role in the resistance of Ti3SiC2 to helium irradiation making it a potential candidate for future nuclear reactor applications in the future. 2015 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
资助项目	Natural Science Foundation of China[11475046] ; Natural Science Foundation of China[91126019] ; Natural Science Foundation of China[11175047]
WOS关键词	THERMAL-STABILITY ; M(N+1)AX(N) PHASES ; MAX PHASES ; THIN-FILMS ; TI3ALC2 ; METALS ; DAMAGE ; HE ; BUBBLES ; GROWTH
WOS研究方向	Materials Science ; Metallurgy & Metallurgical Engineering
语种	英语
出版者	PERGAMON-ELSEVIER SCIENCE LTD
WOS记录号	WOS:000359875800005
资助机构	Natural Science Foundation of China
内容类型	期刊论文
源URL	[http://119.78.100.186/handle/113462/40432]
专题	中国科学院近代物理研究所
通讯作者	Wang, Y. X.
作者单位	1.Fudan Univ, Inst Modern Phys, Appl Ion Beam Phys Lab, Shanghai 200433, Peoples R China 2.Shanghai Univ Engn Sci, Sch Mat Engn, Shanghai 201620, Peoples R China 3.Univ Newcastle, Sch Math & Phys Sci, Callaghan, NSW 2308, Australia 4.Fudan Univ, Dept Mech & Sci Engn, Shanghai 200433, Peoples R China 5.Chinese Acad Sci, Inst Chem Phys, State Key Lab Solid Lubricat, Lanzhou 730000, Peoples R China 6.China Acad Engn Phys, Inst Nucl Phys & Chem, Chengdu 610003, Peoples R China
推荐引用方式 GB/T 7714	Zhang, H. F.,Yao, B. D.,Shi, L. Q.,et al. Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation[J]. ACTA MATERIALIA,2015,97:50-57.
APA	Zhang, H. F..,Yao, B. D..,Shi, L. Q..,O'Connor, D. J..,Huang, J..,...&Wang, Y. X..(2015).Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation.ACTA MATERIALIA,97,50-57.
MLA	Zhang, H. F.,et al."Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation".ACTA MATERIALIA 97(2015):50-57.