4.6 Article

Interpreting radiation-induced segregation and enhanced radiation tolerance of single-phase concentrated solid-solution alloys from first principles

期刊

MATERIALS LETTERS
卷 202, 期 -, 页码 120-122

出版社

ELSEVIER SCIENCE BV
DOI: 10.1016/j.matlet.2017.05.051

关键词

Simulation and modelling; Microstructure; First principles; Interstitial defects; Single-phase concentrated solid-solution alloy

资金

  1. National Natural Science Foundation of China [51471164]
  2. National Key R&D Program of China [2016YFB0701302]
  3. Informalization Construction Project of Chinese Academy of Sciences during the 11th Five-Year Plan Period [INFO-115-B01]
  4. Special Program for Applied Research on Super Computation of the NSFC-Guangdong Joint Fund

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Most recently, a host of irradiation experiments conducted on single-phase concentrated solid-solution alloys has been lacking interpretations from first principles. Here, the formation energetics and migration kinetics of interstitial defects in pure Ni and two Ni-based alloys (NiCo and NiFe) have been investigated by first principles calculations, based on which we are able to provide significant insights into two key aspects of experimental observations concerning the radiation-induced segregation and the enhanced radiation tolerance. (C) 2017 Elsevier B.V. All rights reserved.

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