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

作者机构：School of Computational Science and ElectronicsHunan Institute of EngineeringXiangtan 411104China School of Physics and Mechanical&Electrical EngineeringJishou UniversityJishou 416000China School of Materials Science and EngineeringHunan UniversityChangsha 410082China 

出 版 物：《Chinese Physics B》 (中国物理B（英文版）)

年 卷 期：2024年第33卷第4期

页      面：623-629页

核心收录：

学科分类：07[理学] 070205[理学-凝聚态物理] 08[工学] 080502[工学-材料学] 0805[工学-材料科学与工程（可授工学、理学学位）] 0702[理学-物理学] 

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) 

主　　题：caged dynamics Pd_(82)Si_(18) amorphous alloy fast and slow atoms clusters lifetime 

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 *** 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 *** 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 *** in-depth investigation was conducted on the caged dynamics differences between fast and slow Si *** 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 ***,slow Si atoms tend to be in the centers of smaller clusters with coordination numbers of 9 and *** 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 *** findings mentioned above hold significant implications for understanding the caged dynamics.