Ab-initio DFT Calculations on Elastic Coefficients, (001) Surface Energy, Stability Limit of Pure Metals and Separation Energy of Bimetal Interface
Author:
Affiliation:
1. Department of Mechanical Engineering, Gifu University
2. Pacific Industrial, Co, Ltd.
Publisher
Society of Materials Science, Japan
Subject
Mechanical Engineering,Mechanics of Materials,Condensed Matter Physics,General Materials Science
Link
https://www.jstage.jst.go.jp/article/jsms/71/2/71_127/_pdf
Reference14 articles.
1. 1) K. Yashiro, K. Nimura and K. Naito, “Molecular dynam-ics study on adhesion of various Ni/Al interface for Ni-plated aluminum alloys”, Materials Transactions, Vol.59, No.11, pp.1753-1760 (2018).
2. 2) K. Yashiro, “Molecular dynamics study on atomic elas-tic stiffness at mode I crack along bi-metal interface”, Philosophical Transactions of the Royal Society A, 379, 20200124 (2021).
3. 3) K. Nakamura, K. Yashiro and K. Naito, “Molecular dy-namics simulation on (001) interfacial fracture of Fe/Ni and Fe/Pd/Ni and deformation mode analysis by eigen-vector of atomic elastic stiffness matrix”, Transactions of the JSME, Vol.87, No.896, 21-00046 (2021).
4. 4) X. W. Zhou, R. A. Jhonson and H. N. G. Wadley, “Misfit-energy-increasing dislocations in vapor-deposited CoFe/NiFe multilayers”, Physical Review B, Vol.69, 14413 (2004).
5. 5) D. C. Wallace, “Thermodynamics of crystals”, Wiley, Newyork (1972).
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1. Study on crack propagation by eigenvalue/eigenvector of atomic elastic stiffness: Interaction with Ni/Co/Zr/Mo obstacles in Fe;Transactions of the JSME (in Japanese);2023
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