摘要
采用分子动力学的方法模拟Zr67Ni33合金液体在不同压强下快速凝固过程,通过结构分析方法如对分布函数、配位数、Honeycutt-Andersen(HA)键型指数法,以及动力学参数如均方位移、自散射关联函数、非高斯参数研究压强对Zr67Ni33非晶合金局域原子结构和其过冷液体动力学性能的影响.研究结果表明:压强越大,Zr67Ni33非晶合金中Zr-Ni原子间的相互作用越强,体系结构有序性越强,过冷液体中动力学减慢和动力学不均匀现象越显著.
The molecular dynamics method has been used to simulate the rapid solidification process of Zr67Ni33 liquid under different pressures.Through the structural analysis methods such as pair distribution function,coordination number,Honeycutt-Andersen(HA)bond pair analysis,we study the local atom structure evolution of Zr67Ni33 amorphous alloy.The effect of pressure on the dynamic properties of Zr67Ni33 supercooled liquid has been studied with mean square displacement,self-intermediate scattering function,non-Gaussian parameter.The results showed that pressure can make the interaction between the Zr-Ni atoms and the ordering of the system structure stronger in the Zr67Ni33 amorphous alloy system,also can slow down the dynamics and cause the dynamics more heterogeneous in supercooled liquid.
作者
高爱同
岳星星
潘诗琰
申小平
范沧
GAO Ai-Tong;YUE Xing-Xing;PAN Shi-Yan;SHEN Xiao-Ping;FAN Cang(School of Material Science and Engineering,Nanjing University of Science and Technology,Nanjing 210094,China;Engineering Training Center,Nanjing University of Science and Technology,Nanjing 210094,China)
出处
《原子与分子物理学报》
CAS
北大核心
2019年第4期635-643,共9页
Journal of Atomic and Molecular Physics
基金
国家自然科学基金(50971057,51371099)
