从重排的局部结构预测器建立玻璃动力学的“陷阱模型”

IF 1.8 4区 物理与天体物理 Q2 PHYSICS, MULTIDISCIPLINARY
EPL Pub Date : 2023-11-14 DOI:10.1209/0295-5075/ad0c70
Sean Alexander Ridout, Indrajit Tah, Andrea J. Liu
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引用次数: 1

摘要

本文介绍了一种基于机器学习识别的局部结构变量软度的玻璃陷阱模型的变体。柔软度是一个基于粒子的量,它反映了粒子的局部结构环境,并表征了粒子重新排列的能量屏障。与陷阱模型一样,我们将每个粒子的柔软度,以及能量势垒视为独立演化的。我们表明,这样的模型再现了柔软的许多定性特征,因此对模型过冷液体中脆性对密度的依赖等行为做出了定性合理的预测。我们还展示了这个简单模型的失败,表明了可能只能通过相关性来解释的柔软动态特征。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Building a “trap model” of glassy dynamics from a local structural predictor of rearrangements
Abstract Here we introduce a variation of the trap model of glasses based on softness, a local structural variable identified by machine learning, in supercooled liquids. Softness is a particle- based quantity that reflects the local structural environment of a particle and characterizes the energy barrier for the particle to rearrange. As in the trap model, we treat each particle’s softness, and hence energy barrier, as evolving independently. We show that such a model reproduces many qualitative features of softness, and therefore makes qualitatively reasonable predictions of behaviors such as the dependence of fragility on density in a model supercooled liquid. We also show failures of this simple model, indicating features of the dynamics of softness that may only be explained by correlations.
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来源期刊
EPL
EPL 物理-物理:综合
CiteScore
3.30
自引率
5.60%
发文量
332
审稿时长
1.9 months
期刊介绍: General physics – physics of elementary particles and fields – nuclear physics – atomic, molecular and optical physics – classical areas of phenomenology – physics of gases, plasmas and electrical discharges – condensed matter – cross-disciplinary physics and related areas of science and technology. Letters submitted to EPL should contain new results, ideas, concepts, experimental methods, theoretical treatments, including those with application potential and be of broad interest and importance to one or several sections of the physics community. The presentation should satisfy the specialist, yet remain understandable to the researchers in other fields through a suitable, clearly written introduction and conclusion (if appropriate). EPL also publishes Comments on Letters previously published in the Journal.
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