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

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Chinese Physics B 2024年第1期33卷 134-142页

作者：张华平范蓓蓓吴佳琦李茂枝 Department of Physics Beijing Key Laboratory of Opto-electronic Functional Materials&Micro-nano DevicesRenmin University of ChinaBeijing 100872China Songshan Lake Materials Laboratory Dongguan 523808China Key Laboratory of Quantum State Construction and Manipulation Renmin University of ChinaBeijing 100872China

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 Ni_(50)Zr_(50) 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

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Effects of pressure on structure and dynamics of metallic glass-forming liquid with miscibility gap

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Journal of Iron and Steel Research International 2018年第6期25卷 666-673页

作者： Yun Cheng Peng-fei Wang Chuan-xiao Peng Li jing Jia Yu-yang Wang Li Wang School of Mechanical Electrical and InformationEngineering Shandong University (Weihai)Weihai 264209 Shandong China

The metallic liquid with miscibility gap has been widely explored recently because of the increasing plastic deformation ability of phase-separated metallic glass. However, the poor glass-forming ability limits its application as the structural materials due to the positive mixing enthalpy of the two elements. Since high pressure is in favor of the formation of the glass, the effect of pressure on the structural and dynamical heterogeneity of phase-separated CusoAgso liquid is inves- tigated by molecular dynamics simulation in the pressure range of 0-16 GPa. The results clearly show that the pressure promotes the formation of metallic glass by increasing the number of fivefold symmetry cluster W and dynamical relaxation time; meanwhile, the liquid-liquid phase separation is also enhanced, and the homogenous atom pAlrs show stronger interaction than heterogeneous atom pAlrs with increasing pressure. The dynamical heterogeneity is related to the formation of fivefold symmetry clusters. The lower growing rate of W at higher pressure with decreasing temperature corresponds to the slow increase in dynamical heterogeneity. The pressured glass with miscibility gap may act as a candidate glass with improved plastic formation ability. The results explore the structural and dynamical heterogeneity of phase-separated liquid at atomic level.

关键词： Glass-forming liquid Miscibility gap High pressure Structural heterogeneity dynamical heterogeneity Molecular dynamics simulation

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Nonperturbative effects of attraction on dynamical behaviors of glass-forming liquids

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Chinese Physics B 2020年第12期29卷 396-401页

作者： Xiaoyan Sun Haibo Zhang Lijin Wang Zexin Zhang Yuqiang Ma Wenzheng College of Soochow University Suzhou 215104China Center for Soft Condensed Matter Physics and Interdisciplinary Research Soochow UniversitySuzhou 215006China School of Physics and Materials Science Anhui UniversityHefei 230601China College of Chemistry Chemical Engineering and Materials ScienceSoochow UniversitySuzhou 215123China National Laboratory of Solid State Microstructures and Department of Physics Nanjing UniversityNanjing 210093China

We investigate systematically the effects of the inter-particle attraction on the structure and dynamical behaviors of glass-forming liquids via molecular dynamics *** find that the inter-particle attraction does not influence the structure,but greatly affects the dynamics and dynamical heterogeneity of the *** the system changes from a purely repulsive glass-forming liquid to an attractive one,the dynamics slows down and the dynamical heterogeneity becomes greater,which is found interestingly to be associated with larger cooperative rearrangement regions(CRRs).Additionally,the structures of CRRs are observed to be compact in attractive glass-forming liquids but string-like in purely repulsive *** findings constitute an important contribution to the ongoing study of the role of attractions in properties of glasses and glass-forming liquids.

关键词： attractive glass dynamics dynamical heterogeneity cooperative rearrangement regions(CRRs)

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