A computer "experiment" on the microstructure of amorphous Cr

S. K. Lai, S. Wang, K. P. Wang

研究成果: 雜誌貢獻期刊論文同行評審

15 引文 斯高帕斯(Scopus)

摘要

We present a computer experiment for simple monatomic amorphous Cr. Contrasted to the widely used Lennard-Jones or Morse potential function, a first-principles metallic pair potential is employed. Starting from this latter potential, a temperature-quench Monte Carlo simulation procedure is applied to study (a) the liquid-glass transitions and (b) the amorphous states for Cr element. It is found that the pair distribution functions exhibit general short-range order features characteristic of real metallic glasses. Further, by examining the pair potential used and with due attention paid to the Friedel oscillation, we obtain interesting structural results for the amorphous Cr.

原文???core.languages.en_GB???
頁(從 - 到)599-603
頁數5
期刊Journal of Chemical Physics
87
發行號1
DOIs
出版狀態已出版 - 1987

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