Energetics for Interfaces between Group IV Transition Metal Carbides and bcc Iron
スポンサーリンク
概要
- 論文の詳細を見る
An ab initio study was carried out on interfacial energies and misfit strain energies at coherent interfaces between Fe(bcc structure) and MCs(NaCl structure, M=Ti, Zr, Hf). The interfacial energies at relaxed interfaces, Fe/TiC, Fe/ZrC and Fe/HfC, were 0.263, 0.153 and 0.271 J/m2, respectively. The influence of bond energy was estimated using the discrete lattice plane/nearest neighbor broken bond model. It was found that the dependence of interfacial energy on the type of carbide was closely related to changes of the bond energies between Fe, M and C atoms before and after formation of the interfaces Fe/MC. The misfit strain energies in Fe/TiC, Fe/ZrC and Fe/HfC systems were 0.390, 1.692 and 1.408 eV per 16 atoms (Fe; 8 atoms and MC; 8 atoms). The misfit strain energy became larger when the difference in lattice parameters between the bulk Fe and the bulk MCs increased.
- 社団法人 日本鉄鋼協会の論文
- 2008-09-15
著者
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CHUNG Soon-Hyo
Materials Science & Technology Division, Korea Institute of Science & Technology
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JUNG Woo-Sang
Materials Science & Technology Division, Korea Institute of Science & Technology
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Lee Seung-cheol
Future Technology Research Division Korea Institute Of Science And Technology
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Chung Soon-hyo
Materials Science & Technology Research Division Korea Institute Of Science & Technology
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Jung Woo-sang
Materials Science & Technology Research Division Korea Institute Of Science & Technology
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Lee Seung-cheol
Future Fusion Technology Laboratory Korea Institute Of Science & Technology
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