Simulation of supercooled atomic and Brownian systems; comparison with mode‐coupling theory
作者:
Jean‐Noe¨l Roux,
期刊:
AIP Conference Proceedings
(AIP Available online 1992)
卷期:
Volume 256,
issue 1
页码: 173-182
ISSN:0094-243X
年代: 1992
DOI:10.1063/1.42433
出版商: AIP
数据来源: AIP
摘要:
The main results from simulations of two different model systems, the soft‐sphere alloy and a polydisperse Yukawa fluid that has been studied with both Newtonian and Brownian dynamics, in the supercooled re´gime, are recalled. In particular it is emphasized that the only well established qualitative change resembling a ‘kinetic glass transision’ is a crossover in the microscopic self‐diffusion mechanism. One then briefly presents the similarities and differences with the predictions of mode‐coupling theory: although the agreement is fair for intermediate relaxation times, it seems that the critical laws are never clearly seen in numerical results, and that the theory provides a poor quantitative estimate of the thermodynamic coefficients of the glass.
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