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
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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