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物理学报  1993 

STRUCTURES AND MICRODYNAMIC BEHAVIOR OF LIQUID TRANSITION METAL Pd AND Pt
液态过渡金属Pd和Pt的结构与微观动力学行为

Keywords: 过渡元素,,,微观动力学,液体

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Abstract:

On the basis of the embedded atom model reflecting many body interactions among atoms and the effective pair potential, structures and microdynamic behavior of liquid transition me-tal Pd and Pt have been investigated by means of molecular dynamics simulation with compu-ter. Pair distribution function, mean square displacement, self-diffusion coefficients and nor-malization velocity self-correlation function have been calculated, and the influence of many body interactions on these physical quantities have been discussed. Results show that the inf-luence of many body interactions on the pair distribution function is small, but this influence on mean square displacement, self-diffusive coeffcients and normalization wlocity self-correla-tion function is cons derable.

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