한국정밀공학회:학술대회논문집 (Proceedings of the Korean Society of Precision Engineering Conference)
- 한국정밀공학회 2002년도 춘계학술대회 논문집
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- Pages.652-655
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- 2002
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- 2005-8446(pISSN)
Palladium의 Embedded Atom Method 개발
The Embedded Atom Method Analysis of the Palldium
초록
The embedded atom method based on the density functional theory is used for calculating ground state properties of realistic metal systems. In this paper, we had corrected constitutive formulae and parameters on the palladium for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the palladium on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and the sublimation energy, show good agreement with Daw's simulation data and with experimental data.
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