• 제목/요약/키워드: 밀도범함수콘

검색결과 1건 처리시간 0.016초

Nickel의 Embedded Atom Method 해석 (The Embedded Atom Method Analysis of the Nickel)

  • 정영관;김경훈;이근진;김종수
    • 한국정밀공학회:학술대회논문집
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    • 한국정밀공학회 1997년도 추계학술대회 논문집
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    • pp.572-575
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    • 1997
  • The embedded atom method based on density functional theory was developed as a new means for calculating ground state properties of realistic metal system by Murray S. Daw, Stephen M. Foiles and Michael I. Baskes. In the paper, we had corrected constitutive formulae and parameters on the nickel for the purpose of doing Embedded Atom Method analysis. And then we have computed the properties of the nickel on the fundamental scale of the atomic structure. In result, simulated ground state properties, such as the lattice constant, elastics constants and sublimation energy, show good agreement with Daw's simulation data and with experimental data.

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