ATOMISTIC COMPUTER-SIMULATION FOR LIQUID-GLASS TRANSITION IN ZR-NI ALLOY

被引：17

作者：

AIHARA, T

AOKI, K

MASUMOTO, T

机构：

[1] Institute for Materials Research, Tohoku University, Sendai

来源：

MATERIALS SCIENCE AND ENGINEERING A-STRUCTURAL MATERIALS PROPERTIES MICROSTRUCTURE AND PROCESSING | 1994年 / 179卷

关键词：

D O I：

10.1016/0921-5093(94)90205-4

中图分类号：

TB3 [工程材料学];

学科分类号：

0805 ; 080502 ;

摘要：

The liquid-glass transition for Zr-Ni alloy is investigated using, molecular dynamics simulation and the empirical many-body potential described by the embedded atom method. The structure, distributions of the atomistic local site energy and the mean square force are investigated. The amorphous structure is compared with the crystal structure at room temperature. The potential, kinetic and total site energy distributions exhibit Maxwell-Boltzmann-type profiles. The liquid-glass transition is clearly detected for the atomistic site energy. and equivalently for each specimen. The results are discussed from the viewpoint of non-equilibration. The mean square force exhibits an exponential dependence on the temperature.

引用

页码：256 / 260

页数：5

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