Hydrogen-induced dynamic slowdown of metallic glass-forming liquids  

作　　者：Jin-Ai Gao Hai-Shen Huang Yong-Jun Lü 高津爱;黄海深;吕勇军(School of Physics,Beijing Institute of Technology,Beijing 100081,China)

机构地区：[1]School of Physics,Beijing Institute of Technology,Beijing 100081,China

出　　处：《Chinese Physics B》2021年第6期430-435,共6页中国物理B（英文版）

基　　金：supported by the National Natural Science Foundation of China (Grant No. 52071029);The computer resources at the Shanghai and Tianjin Supercomputer Centers are gratefully acknowledged。

摘　　要：Dynamics of hydrogen doped Cu_(50) Zr_(50) glass-forming liquids are investigated by using the newly developed modified embedded atomic method(MEAM) potential based on molecular dynamics simulations. We find that the doping of hydrogen atoms slows down the relaxation dynamics, reduces the fragility of supercooled melts, and promotes the occurrence of glass transitions. The dynamic slowdown is suggested to be closely related to the effect of hydrogen atoms on locally ordered structure of melts. With increasing concentration of hydrogen, the five-fold symmetry associated with Cu-and Zr-centered polyhedrons is lowered, on the other hand, the local order featuring metal hydrides is enhanced. The latter dominates the dynamic behaviors of glass-forming liquids, especially for Zr atoms, and results in the dynamic slowdown.

关 键 词：metallic glasses HYDROGEN DYNAMICS 

分 类 号：TG139.8[一般工业技术—材料科学与工程]