Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti3SiC2: Theoretical Investigation of Native Point Defects

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	Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti3SiC2: Theoretical Investigation of Native Point Defects
	H. B. Zhang; J. M. Wang; J. Y. Wang; Y. C. Zhou; S. M. Peng; X. G. Long
	2013
发表期刊	Journal of Nanomaterials
ISSN	1687-4110
摘要	Nanolaminated Ti-3 SiC2, a representative MAX phase, shows excellent tolerance to radiation damage. In this paper, first- principles calculations were used to investigate the mechanism of intrinsic point defects in order to explain this outstanding property. Formation energies of intrinsic point defects are calculated and compared; and the results establish a low- energy disorder mechanism in Ti-3 SiC2. In addition, the migration energy barriers of Si vacancy, Si interstitial, and TiSi antisite yield very low values: 0.9, 0.6, and 0.3 eV, respectively. The intercalation of Si atomic plane between Ti-3 C-2 nanotwinning structures dominates the formation and migration of intrinsic native point defects in Ti-3 SiC2. The present study also highlights a novel method to improve radiation damage tolerance by developing nanoscale- layered structure which can serve as a sink or rapid recovery channel for point defects.
部门归属	[zhang, haibin ; peng, shuming ; long, xinggui] china acad engn phys, inst nucl phys & chem, mianyang 621900, peoples r china. [wang, jiemin ; wang, jingyang] chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. [zhou, yanchun] aerosp res inst mat & proc technol, beijing 100076, peoples r china. ; wang, jm (reprint author), chinese acad sci, inst met res, shenyang natl lab mat sci, shenyang 110016, peoples r china. ; jieminwang@imr.ac.cn
关键词	m(n+1)Ax(n) Phases Carbide Stability Vacancies Ti2alc
URL	查看原文
语种	英语
文献类型	期刊论文
条目标识符	http://ir.imr.ac.cn/handle/321006/71677
专题	中国科学院金属研究所
推荐引用方式 GB/T 7714	H. B. Zhang,J. M. Wang,J. Y. Wang,et al. Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti3SiC2: Theoretical Investigation of Native Point Defects[J]. Journal of Nanomaterials,2013.
APA	H. B. Zhang,J. M. Wang,J. Y. Wang,Y. C. Zhou,S. M. Peng,&X. G. Long.(2013).Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti3SiC2: Theoretical Investigation of Native Point Defects.Journal of Nanomaterials.
MLA	H. B. Zhang,et al."Role of Nanolaminated Crystal Structure on the Radiation Damage Tolerance of Ti3SiC2: Theoretical Investigation of Native Point Defects".Journal of Nanomaterials (2013).