Mode coupling theory and the glass transition in molecular dynamics simulated NiZr

被引：71

作者：

Teichler, H ^{[1
]}

机构：

[1] SONDERFORSCH BEREICH 345,D-37073 GOTTINGEN,GERMANY

来源：

PHYSICAL REVIEW LETTERS | 1996年 / 76卷 / 01期

关键词：

D O I：

10.1103/PhysRevLett.76.62

中图分类号：

O4 [物理学];

学科分类号：

0702 ;

摘要：

Molecular dynamics (MD) simulations for a NiZr model adapted to Hausleitner-Hafner interatomic potentials are analyzed within the mode coupling theory (MCT). Fitting numerical solutions of the (modified) schematic MCT equation with the self-intermediate scattering function of the MD system demonstrates unambiguously the transition scenario from liquidlike to nearly arrested behavior predicted by the MCT as precursor of the glass transition (around 1120 K for the present NiZr model).

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页码：62 / 65

页数：4

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