Cluster evolution in the rapid cooling process of Cu–Ag melts under high pressure: Molecular-dynamics simulation
Cluster evolution in the rapid cooling process of Cu–Ag melts under high pressure: Molecular-dynamics simulation
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DOI：
10.1016/j.commatsci.2008.01.064
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发表时间：
2008-10
影响因子：
3.3
通讯作者：
L. Qi;L. Dong;Suhong Zhang;M. Ma;Q. Jing;G. Li;R. P. Liu
中科院分区：
文献类型：
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作者：
L. Qi;L. Dong;Suhong Zhang;M. Ma;Q. Jing;G. Li;R. P. Liu
采用分子动力学模拟方法研究了高压下快速冷却cu40ag60熔体的局部结构演变和玻璃化过程。随着压力的增大，合金的玻璃化成形能力提高。仿真结果表明，与缺陷二十面体相比，具有更多理想二十面体的局部结构更加紧凑。系统自由体积的湮灭和高压下理想二十面体数量的增加都有助于cu40ag60合金的玻璃化形成。
Molecular-dynamics simulations have been used to study the local structure evolution and the glass formation in the Cu40Ag60melts rapidly cooled under high pressures. With the increase of pressures, the glass forming ability of alloy is improved. Our simulation results reveal that more compacted local structure with more ideal icosahedra than defected icosahedra is obtained. Both the annihilation of the free volume of the system and the increase of the number of the ideal icosahedra under high pressures contribute to the glass formation of the Cu40Ag60alloy.