Research of caged dynamics of clusters center atoms in Pd_(82)Si_(18) amorphous alloy  

作　　者：邓永和 陈贝 祁清华 李兵兵 高明 文大东 王小云 彭平 Yong-He Deng;Bei Chen;Qing-Hua Qi;Bing-Bing Li;Ming Gao;Da-Dong Wen;Xiao-Yun Wang;Ping Peng(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)

机构地区：[1]School of Computational Science and Electronics,Hunan Institute of Engineering,Xiangtan 411104,China [2]School of Physics and Mechanical&Electrical Engineering,Jishou University,Jishou 416000,China [3]School of Materials Science and Engineering,Hunan University,Changsha 410082,China

出　　处：《Chinese Physics B》2024年第4期623-629,共7页中国物理B（英文版）

基　　金：Project supported by the National Natural Science Foundation of China (Grant No.51701071);the Natural Science Foundation of Hunan Province,China (Grant Nos.2022JJ50115 and 2021JJ30179);the Research Foundation of the Education Bureau of Hunan Province,China (Grant No.22A0522)。

摘　　要：To date,there is still a lack of a comprehensive explanation for caged dynamics which is regarded as one of the intricate dynamic behaviors in amorphous alloys.This study focuses on Pd_(82)Si_(18)as the research object to further elucidate the underlying mechanism of caged dynamics from multiple perspectives,including the cage's lifetime,atomic local environment,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.

关 键 词：caged dynamics Pd_(82)Si_(18) amorphous alloy fast and slow atoms CLUSTERS lifetime 

分 类 号：O469[理学—凝聚态物理] TG139.8[理学—电子物理学]