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题名: Roles of silicon-layer in Ti3SiC2 materials response to helium irradiation: New insights from first-principles calculation
作者: 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
关键词: DFT ;  Irradiation effect ;  Uniaxial tension ;  Fracture ;  Ceramics
刊名: ACTA MATERIALIA
发表日期: 2015-09-15
DOI: 10.1016/actamat.2015.07.015
卷: 97, 页:50-57
收录类别: SCI
文章类型: Article
WOS标题词: Science & Technology ;  Technology
类目[WOS]: Materials Science, Multidisciplinary ;  Metallurgy & Metallurgical Engineering
研究领域[WOS]: Materials Science ;  Metallurgy & Metallurgical Engineering
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.
关键词[WOS]: THERMAL-STABILITY ;  M(N+1)AX(N) PHASES ;  MAX PHASES ;  THIN-FILMS ;  TI3ALC2 ;  METALS ;  DAMAGE ;  HE ;  BUBBLES ;  GROWTH
语种: 英语
WOS记录号: WOS:000359875800005
Citation statistics: 
内容类型: 期刊论文
URI标识: http://cas-ir.dicp.ac.cn/handle/321008/146474
Appears in Collections:中国科学院大连化学物理研究所_期刊论文

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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

Recommended Citation:
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.
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