結晶構造の弾性論的安定性 : 状態方程式を用いた解析 [in Japanese] Elastic Stability of Crystal Structure from Equation of State [in Japanese]
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We discuss the elastic stability of binary compounds by the equation of state using Lennard-Jones interatomic potentials. The critical volumes at which the elastic instability occurs by isotropic tensile load are calculated as a function of atomic-radius ratio for C15 Laves phase AB<SUB>2</SUB> compounds. The elastic constants of sublattices of A and atoms are defined, and the stabilities at sublattice level are analyzed. It is known that bulk-modulus stability of the sublattice of B atoms is lower than that of A atoms in the region of which A atoms contract and B atoms expand. Experimentally, Hydrogen-Induced Amorphization (HIA) occurs in the compounds belonging to this region. We also discuss L1<SUB>2</SUB> and B2 structures.
- Journal of the Japan Institute of Metals and Materials
Journal of the Japan Institute of Metals and Materials 66(5), 431-433, 2002-05-20
The Japan Institute of Metals and Materials