Alpha-relaxation by scattering and medium-range atomic correlation in simple liquids

The relaxation dynamics of liquid and glass can be studied by inelastic x-ray or neutron scattering through the intermediate scattering function F(Q, t), where Q is the momentum transfer of scattering. Because of the time-consuming nature of these measurements, F(Q, t) is usually measured only at the first peak of the structure function S(Q), and its principal decay time is referred to as the α-relaxation time τα. τα is generally considered to describe the relaxation time of the bulk, which is related to viscosity and is controlled by the atomic cage around an atom. Here, through simulations on metallic liquids, we show that the α-relaxation time determined by scattering experiments does not purely reflect viscosity but is influenced by changes in spatial cooperativity. We also demonstrate that atomic caging is not exerted by the nearest neighbors but involves more cooperative atomic dynamics of the atomic medium-range order.

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Publication Details

Journal
The Journal of Chemical Physics
Published
2025-10-09
DOI
https://doi.org/10.1063/5.0294550
Primary Topic
Material Dynamics and Properties
Type
article
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article

Alpha-relaxation by scattering and medium-range atomic correlation in simple liquids

T. Egami, Chae Woo Ryu
The Journal of Chemical Physics
Material Dynamics and Properties
article

Alpha-relaxation by scattering and medium-range atomic correlation in simple liquids

T. Egami, Chae Woo Ryu
article en

Abstract

The relaxation dynamics of liquid and glass can be studied by inelastic x-ray or neutron scattering through the intermediate scattering function F(Q, t), where Q is the momentum transfer of scattering. Because of the time-consuming nature of these measurements, F(Q, t) is usually measured only at the first peak of the structure function S(Q), and its principal decay time is referred to as the α-relaxation time τα. τα is generally considered to describe the relaxation time of the bulk, which is related to viscosity and is controlled by the atomic cage around an atom. Here, through simulations on metallic liquids, we show that the α-relaxation time determined by scattering experiments does not purely reflect viscosity but is influenced by changes in spatial cooperativity. We also demonstrate that atomic caging is not exerted by the nearest neighbors but involves more cooperative atomic dynamics of the atomic medium-range order.

The Journal of Chemical PhysicsVol. 163(14)
Oak Ridge National Laboratory (US), Division of Materials Science and Engineering (AU), University of Tennessee at Knoxville (US), Hongik University (KR)
Openalex Percentile: Top 78%
Material Dynamics and Properties
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