Atomic structures and mechanical properties in Zr-Ni-Al metallic glasses studied by molecular dynamics simulations

被引：1

作者：

Zou, Yang ^{[1
]}

Pan, Shaopeng ^{[1
]}

Niu, Xiaofeng ^{[1
]}

Qiao, Junwei ^{[1
]}

Song, Kaikai ^{[2
]}

Wang, Weimin ^{[3
]}

Qin, Jingyu ^{[3
]}

机构：

[1] Taiyuan Univ Technol, Coll Mat Sci & Engn, Taiyuan 030024, Peoples R China

[2] Shandong Univ, Sch Mech Elect & Informat Engn, Weihai 264209, Peoples R China

[3] Shandong Univ, Key Lab Liquid Solid Struct Evolut & Proc Mat, Minist Educ, Jinan 250061, Peoples R China

来源：

MODELLING AND SIMULATION IN MATERIALS SCIENCE AND ENGINEERING | 2022年 / 30卷 / 05期

基金：

中国国家自然科学基金;

关键词：

Zr-Ni-Al metallic glasses; atomic structures; mechanical properties; molecular dynamics simulation; mixing enthalpy; CORROSION-RESISTANCE; SUPERCOOLED LIQUID; FORMING ABILITY; RANGE ORDER; ALLOYS; TEMPERATURE;

D O I：

10.1088/1361-651X/ac6f15

中图分类号：

T [工业技术];

学科分类号：

08 ;

摘要：

Based on molecular dynamics simulations, the atomic structures and mechanical properties of Zr75-x Ni25Al x (x = 5-70) metallic glasses (MGs) were investigated by replacing Zr with Al. These MGs can be divided into the Zr-based (x = 5-45) and the Al-based systems (x = 50-70) according to the change of glass transition temperatures. Pair distribution function, bond pair, Voronoi analysis, and quasi-nearest atom were used to characterize the atomic structures in the MGs. It is found that the change rate relative to the Al concentration for the structural properties together with other properties in the Al-based systems is larger than those in the Zr-based systems. Moreover, the mixing enthalpy at 2000 K has a quadratic relationship with glass transition temperature and strength in both systems. Our results are helpful to understand the relationship among the properties of MGs.

引用

页数：12

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