結晶構造の弾性論的安定性—状態方程式を用いた解析

• 片桐 昌彦

  物質・材料研究機構

• 小野寺 秀博

  物質・材料研究機構

書誌事項

タイトル別名

• Elastic Stability of Crystal Structure from Equation of State
• 結晶構造の弾性論的安定性--状態方程式を用いた解析
• ケッショウ コウゾウ ノ ダンセイロンテキ アンテイセイ ジョウタイ ホウテイシキ オ モチイタ カイセキ

抄録

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 AB₂ 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 L1₂ and B2 structures.

収録刊行物

• 日本金属学会誌

  日本金属学会誌 66 (5), 431-433, 2002

  公益社団法人 日本金属学会

キーワード

• molecular dynamics
• hydrogen induced amorphization
• tensile load
• C15 Laves phase
• softening
• bulk modulus
• elastic instability
• hydrogen embrittlement

詳細情報

• CRID: 1390001206492054144
• NII論文ID: 10008832933
• NII書誌ID: AN00187860
• DOI: 10.2320/jinstmet1952.66.5_431
• ISSN: 18806880
• ISSN: 24337501
• ISSN: 00214876
• NDL書誌ID: 6178917
• Web Site: https://ndlsearch.ndl.go.jp/books/R000000004-I6178917
• Web Site: https://www.jstage.jst.go.jp/article/jinstmet1952/66/5/66_5_431/_pdf
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