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정영관(Y.G. Jung),박규섭(G.S. Park),이근진(G.J. Lee),김경훈(G.H. Kim),김세웅(S.W. Kim),박대흠(D.H. Park) 한국정밀공학회 2004 한국정밀공학회 학술발표대회 논문집 Vol.2004 No.10월
Numerical analysis on the atomic level is necessary as properties of materials are based on the correlation between atoms. The embedded atom method established on density functional theory was developed as a new means for calculating various properties and phenomena of realistic metal systems. In this study, we had corrected constitutive formulae and parameters, and developed the program on the palladium for the purpose of doing Embedded Atom Method analyses on metals. And then we have computed the properties of the palladium on the fundamental scale of the atomic structure. As a result, simulated ground state properties, such as the lattice constant, elastics constants etc , show good agreement with other simulation data and with experimental data.