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

Translated title of the contribution: Evaluation of cleavage fracture behavior of C14 Fe2W laves phase by first principle calculation and crystal orientation analysis

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

Research output: Contribution to journalArticlepeer-review

Abstract

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.

Translated title of the contributionEvaluation of cleavage fracture behavior of C14 Fe2W laves phase by first principle calculation and crystal orientation analysis
Original languageJapanese
Pages (from-to)977-985
Number of pages9
JournalTetsu-To-Hagane/Journal of the Iron and Steel Institute of Japan
Volume107
Issue number11
DOIs
Publication statusPublished - Nov 2021

All Science Journal Classification (ASJC) codes

  • Condensed Matter Physics
  • Physical and Theoretical Chemistry
  • Metals and Alloys
  • Materials Chemistry

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