首页|Research of caged dynamics of clusters center atoms in Pd82Si18 amorphous alloy
Research of caged dynamics of clusters center atoms in Pd82Si18 amorphous alloy
扫码查看
点击上方二维码区域，可以放大扫码查看
原文链接
万方数据
To date,there is still a lack of a comprehensive explanation for caged dynamics which is regarded as one of the intri-cate dynamic behaviors in amorphous alloys.This study focuses on Pd82Si 18 as the research object to further elucidate the underlying mechanism of caged dynamics from multiple perspectives,including the cage's lifetime,atomic local environ-ment,and atomic potential energy.The results reveal that Si atoms exhibit a pronounced cage effect due to the hindrance of Pd atoms,resulting in an anomalous peak in the non-Gaussian parameters.An in-depth investigation was conducted on the caged dynamics differences between fast and slow Si atoms.In comparison to fast Si atoms,slow Si atoms were surrounded by more Pd atoms and occupied lower potential energy states,resulting in smaller diffusion displacements for the slow Si atoms.Concurrently,slow Si atoms tend to be in the centers of smaller clusters with coordination numbers of 9 and 10.During the isothermal relaxation process,clusters with coordination numbers 9 and 10 have longer lifetimes,suggesting that the escape of slow Si atoms from their cages is more challenging.The findings mentioned above hold significant implications for understanding the caged dynamics.
caged dynamicsPd82Si18 amorphous alloyfast and slow atomsclusterslifetime
邓永和、陈贝、祁清华、李兵兵、高明、文大东、王小云、彭平
展开 >
School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan 411104,China
School of Physics and Mechanical & Electrical Engineering,Jishou University,Jishou 416000,China
School of Materials Science and Engineering,Hunan University,Changsha 410082,China
国家自然科学基金湖南省自然科学基金湖南省自然科学基金Research Foundation of the Education Bureau of Hunan Province,China
万方数据
