第一原理計算と結晶方位解析を用いたC14 Fe<sub>2</sub>W Laves相の劈開破壊挙動の評価

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  • Evaluation of Cleavage Fracture Behavior of C14 Fe<sub>2</sub>W Laves Phase by First-principles Calculations and Crystal Orientation Analysis
  • 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
  • ダイイチ ゲンリ ケイサン ト ケッショウ ホウイ カイセキ オ モチイタ C14 Fe ₂ W Lavesソウ ノ ヘキカイハカイ キョドウ ノ ヒョウカ
  • Evaluation of Cleavage Fracture Behavior of C14 Fe<sub>2</sub>W Laves Phase by First Principle Calculation and Crystal Orientation Analysis

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<p>In this study, the cleavage fracture of the C14 Fe2W Laves phase was investigated by first-principles calculations and crystal orientation analysis using scanning electron microscopy. Trace analysis of the orientations of cleavage planes revealed that cleavage fracture occurred in five types of crystal planes: (0001), {1100}, {1120}, {1101}, and {1122}. Among these fractures, the fracture at (0001) is the most preferable. From, the first-principle calculations of the surface energy for fracture, Young’s modulus, and Poisson’s ratio, the minimum fracture toughness value of 1.62 MPa·m1/2 was obtained at (0001). The tendency of the calculated fracture toughness to become larger with high indexed planes is almost the same as the frequency of the types of cleavage planes in the trace analysis. It was concluded that the fracture toughness of the C14 Fe2W Laves phase is controlled by the surface energy for fracture and Young’s modulus.</p>

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