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Journal of Nanomaterials
Volume 2013, Article ID 831590, 5 pages
Research Article

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

1Institute of Nuclear Physics and Chemistry, China Academy of Engineering Physics, Mianyang 621900, China
2Shenyang National Laboratory for Materials Science, Institute of Metal Research, Chinese Academy of Sciences, Shenyang 110016, China
3Aerospace Research Institute of Materials & Processing Technology, Beijing 100076, China

Received 26 July 2013; Accepted 15 September 2013

Academic Editor: Sheng-Rui Jian

Copyright © 2013 Haibin Zhang et al. This is an open access article distributed under the Creative Commons Attribution License, which permits unrestricted use, distribution, and reproduction in any medium, provided the original work is properly cited.


Nanolaminated , 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 . In addition, the migration energy barriers of Si vacancy, Si interstitial, and antisite yield very low values: 0.9, 0.6, and 0.3 eV, respectively. The intercalation of Si atomic plane between nanotwinning structures dominates the formation and migration of intrinsic native point defects in . 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.