Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

doi:10.1088/1674-1056/acf994

中国物理B ›› 2024, Vol. 33 ›› Issue (1): 16101-16101.doi: 10.1088/1674-1056/acf994

所属专题： SPECIAL TOPIC — States and new effects in nonequilibrium

Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

H P Zhang(张华平)^1,2, B B Fan(范蓓蓓)¹, J Q Wu(吴佳琦)¹, and M Z Li(李茂枝)^1,3,†

1 Department of Physics, Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China;
2 Songshan Lake Materials Laboratory, Dongguan 523808, China;
3 Key Laboratory of Quantum State Construction and Manipulation(Ministry of Education), Renmin University of China, Beijing 100872, China

收稿日期:2023-07-01 修回日期:2023-09-03 接受日期:2023-09-14 出版日期:2023-12-13 发布日期:2023-12-13
通讯作者: M Z Li E-mail:maozhili@ruc.edu.cn
基金资助:
Project supported by the National Natural Science Foundation of China (Grant No. 52031016). Computational resources have been provided by the Physical Laboratory of High Performance Computing at Renmin University of China.

Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

H P Zhang(张华平)^1,2, B B Fan(范蓓蓓)¹, J Q Wu(吴佳琦)¹, and M Z Li(李茂枝)^1,3,†

1 Department of Physics, Beijing Key Laboratory of Opto-electronic Functional Materials & Micro-nano Devices, Renmin University of China, Beijing 100872, China;
2 Songshan Lake Materials Laboratory, Dongguan 523808, China;
3 Key Laboratory of Quantum State Construction and Manipulation(Ministry of Education), Renmin University of China, Beijing 100872, China

Received:2023-07-01 Revised:2023-09-03 Accepted:2023-09-14 Online:2023-12-13 Published:2023-12-13
Contact: M Z Li E-mail:maozhili@ruc.edu.cn
Supported by:
Project supported by the National Natural Science Foundation of China (Grant No. 52031016). Computational resources have been provided by the Physical Laboratory of High Performance Computing at Renmin University of China.

1. 2024-016101-SI.pdf(1264KB)

摘要/Abstract

摘要： The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni₅₀Zr₅₀ bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye—Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.

关键词: metallic glass-forming liquids, structure relaxation, dynamical heterogeneity, Debye—Waller factor

Abstract: The dramatic temperature-dependence of liquids dynamics has attracted considerable scientific interests and efforts in the past decades, but the physics of which remains elusive. In addition to temperature, some other parameters, such as pressure, loading and size, can also tune the liquid dynamics and induce glass transition, which makes the situation more complicated. Here, we performed molecular dynamics simulations for Ni₅₀Zr₅₀ bulk liquid and nanodroplet to study the dynamics evolution in the complex multivariate phase space, especially along the isotherm with the change of pressure or droplet size. It is found that the short-time Debye—Waller factor universally determines the long-time relaxation dynamics no matter how the temperature, pressure or size changes. The basic correlation even holds at the local atomic scale. This finding provides general understanding of the microscopic mechanism of dynamic arrest and dynamic heterogeneity.

Key words: metallic glass-forming liquids, structure relaxation, dynamical heterogeneity, Debye—Waller factor

中图分类号: (Computer simulation of liquid structure)

61.20.Ja

61.20.Lc (Time-dependent properties; relaxation) 64.70.Q- (Theory and modeling of the glass transition)

H P Zhang(张华平), B B Fan(范蓓蓓), J Q Wu(吴佳琦), and M Z Li(李茂枝). Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids[J]. 中国物理B, 2024, 33(1): 16101-16101.

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Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

Universal basis underlying temperature, pressure and size induced dynamical evolution in metallic glass-forming liquids

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