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玻璃态材料中的各向异性结构预测器。

Anisotropic structural predictor in glassy materials.

作者信息

Schwartzman-Nowik Zohar, Lerner Edan, Bouchbinder Eran

机构信息

Chemical and Biological Physics Department, Weizmann Institute of Science, Rehovot 7610001, Israel.

Institute for Theoretical Physics, University of Amsterdam, Science Park 904, 1098 XH Amsterdam, The Netherlands.

出版信息

Phys Rev E. 2019 Jun;99(6-1):060601. doi: 10.1103/PhysRevE.99.060601.

DOI:10.1103/PhysRevE.99.060601
PMID:31330726
Abstract

There is growing evidence that relaxation in glassy materials, both spontaneous and externally driven, is mediated by localized soft spots. Recent progress made it possible to identify the soft spots inside glassy structures and to quantify their degree of softness. These softness measures, however, are typically scalars, not taking into account the tensorial, anisotropic nature of soft spots, which implies orientation-dependent coupling to external deformation. Here, we derive from first principles the linear response coupling between the local heat capacity of glasses, previously shown to provide a measure of glassy softness, and external deformation in different directions. We first show that this linear response quantity follows an anomalous, fat-tailed distribution related to the universal ω^{4} density of states of quasilocalized, nonphononic excitations in glasses. We then construct a structural predictor as the product of the local heat capacity and its linear response to external deformation, and show that it offers an enhanced predictability of plastic rearrangements under deformation in different directions, compared to the purely scalar predictor.

摘要

越来越多的证据表明,玻璃态材料中的弛豫,无论是自发的还是外部驱动的,都是由局部软点介导的。最近的进展使得识别玻璃态结构内部的软点并量化其柔软程度成为可能。然而,这些柔软度测量通常是标量,没有考虑到软点的张量、各向异性性质,这意味着与外部变形的耦合依赖于方向。在这里,我们从第一原理推导出玻璃局部热容量(先前已证明其可作为玻璃态柔软度的一种度量)与不同方向外部变形之间的线性响应耦合。我们首先表明,这种线性响应量遵循一种与玻璃中准局域化、非声子激发的通用ω⁴态密度相关的异常肥尾分布。然后,我们构建了一个结构预测器,它是局部热容量与其对外部变形的线性响应的乘积,并表明与纯标量预测器相比,它在不同方向变形下对塑性重排具有更高的预测能力。

相似文献

1
Anisotropic structural predictor in glassy materials.玻璃态材料中的各向异性结构预测器。
Phys Rev E. 2019 Jun;99(6-1):060601. doi: 10.1103/PhysRevE.99.060601.
2
Local thermal energy as a structural indicator in glasses.局部热能作为玻璃中的结构指标。
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Phys Rev Lett. 2018 Aug 3;121(5):055501. doi: 10.1103/PhysRevLett.121.055501.
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Pinching a glass reveals key properties of its soft spots.捏碎一块玻璃可以揭示其软弱点的关键特性。
Proc Natl Acad Sci U S A. 2020 Mar 10;117(10):5228-5234. doi: 10.1073/pnas.1919958117. Epub 2020 Feb 24.
5
Low-energy quasilocalized excitations in structural glasses.结构玻璃中的低能准局域激发
J Chem Phys. 2021 Nov 28;155(20):200901. doi: 10.1063/5.0069477.
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Disordered Crystals Reveal Soft Quasilocalized Glassy Excitations.无序晶体揭示软准局域玻璃态激发。
Phys Rev Lett. 2022 Aug 26;129(9):095501. doi: 10.1103/PhysRevLett.129.095501.
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Finite-size effects in the nonphononic density of states in computer glasses.计算机玻璃中非声子态密度的有限尺寸效应。
Phys Rev E. 2020 Mar;101(3-1):032120. doi: 10.1103/PhysRevE.101.032120.
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Phys Rev Lett. 2020 Aug 21;125(8):085502. doi: 10.1103/PhysRevLett.125.085502.
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Nonlinear quasilocalized excitations in glasses: True representatives of soft spots.玻璃中的非线性准局域激发:软点的真实代表。
Phys Rev E. 2020 Mar;101(3-1):032130. doi: 10.1103/PhysRevE.101.032130.
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Nat Commun. 2021 Mar 8;12(1):1506. doi: 10.1038/s41467-021-21806-z.
4
Pinching a glass reveals key properties of its soft spots.捏碎一块玻璃可以揭示其软弱点的关键特性。
Proc Natl Acad Sci U S A. 2020 Mar 10;117(10):5228-5234. doi: 10.1073/pnas.1919958117. Epub 2020 Feb 24.