Hydrogen-induced dynamic slowdown of metallic glass-forming liquids

• 作者: Jin-Ai Gao Hai-Shen Huang Yong-Jun Lü
• 来源期刊: 中国物理B（英文版）
• 年，卷（期）: 2021,（6）
• 所属期刊栏目: CONDENSED MATTER: STRUCTURAL, MECHANICAL, AND THERMAL PROPERTIES
• 页码范围: 488-494
• 页数: 7页
• 语种: 英文
• DOI: 10.1088/1674-1056/abf111

摘要

Dynamics of hydrogen doped Cu50Zr50 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 hydro-gen 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.