第一原理計算と結晶方位解析を用いたC14 Fe2W Laves相の劈開破壊挙動の評価

Shigeto Yamasaki, Masaki Tanaka, Tatsuya Morikawa, Yasuaki Watanabe, Mitsuo Yamashita, Sakae Izumi

研究成果: Contribution to journalArticle査読

抄録

Cleavage fracture of C14 Fe2W Laves phase was investigated using crystal orientation measurement with scanning electron microscopy and first-principles calculations. Trace analysis of the orientations of cleavage planes reveals that cleavage fracture occurred at five types of crystal planes of (0001), {1100}, {1120}, {1101} and {1122}, among which the fracture at (0001) is the most preferable. The first-principle calculations of the surface energy for fracture, Young's modulus, and Poisson's ratio showed that the minimum fracture toughness value of 1.62 MPa·m1/2 was obtained at (0001). The tendency that the values of calculated fracture toughness become larger with the higher indexed planes is almost the same as the frequency of the types of cleavage planes in the trace analysis. It is concluded that the fracture toughness of C14 Fe2W Laves phase is controlled by the surface energy for fracture and Young’s modulus.

寄稿の翻訳タイトルEvaluation of cleavage fracture behavior of C14 Fe2W laves phase by first principle calculation and crystal orientation analysis
本文言語日本語
ページ(範囲)977-985
ページ数9
ジャーナルTetsu-To-Hagane/Journal of the Iron and Steel Institute of Japan
107
11
DOI
出版ステータス出版済み - 11 2021

All Science Journal Classification (ASJC) codes

  • 凝縮系物理学
  • 物理化学および理論化学
  • 金属および合金
  • 材料化学

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