期刊
SCRIPTA MATERIALIA
卷 50, 期 10, 页码 1341-1343出版社
PERGAMON-ELSEVIER SCIENCE LTD
DOI: 10.1016/j.scriptamat.2004.02.003
关键词
Ab-initio calculation; grain boundaries; embrittlement; composition Fe steel; FLAPW
The effect of interstitial N on the cohesion of an Fe Sigma3[1 1 0](1 1 1) grain boundary (GB) was investigated by ab-initio electronic structure calculations to reveal that free interstitial N produces a large strengthening energy, reduces the magnetic moments of the GB Fe atoms and is embrittling at the GB's. (C) 2004 Acta Materialia Inc. Published by Elsevier Ltd. All rights reserved.
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