Spotting structural defects in crystals from the topology of vibrational modes

IF 6 2区工程技术 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY

Journal of The Mechanics and Physics of Solids Pub Date : 2025-07-19 DOI:10.1016/j.jmps.2025.106274

Long-Zhou Huang , Yun-Jiang Wang , Min-Qiang Jiang , Matteo Baggioli

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引用次数: 0

Abstract

Because of the inevitably disordered background, structural defects are not well-defined concepts in amorphous solids. In order to overcome this difficulty, it has been recently proposed that topological defects can be still identified in the pattern of vibrational modes, by looking at the corresponding eigenvector field at low frequency. Moreover, it has been verified that these defects strongly correlate with the location of soft spots in glasses, that are the regions more prone to plastic rearrangements. Here, we show that the topology of vibrational modes predicts the location of structural defects in crystals as well, including the cases of dislocations, disclinations and Eshelby inclusions. Our results suggest that in crystalline solids topological defects in the vibrational modes are directly connected to the well-established structural defects governing plastic deformations and present characteristics very similar to those observed in amorphous solids.

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从振动模式的拓扑结构发现晶体中的结构缺陷

由于不可避免的无序背景，结构缺陷在非晶固体中不是一个定义明确的概念。为了克服这一困难，最近有人提出，拓扑缺陷仍然可以在振动模式的模式下识别，通过观察相应的低频特征向量场。此外，已经证实这些缺陷与玻璃中软点的位置密切相关，软点是更容易发生塑性重排的区域。在这里，我们证明了振动模式的拓扑结构也可以预测晶体中结构缺陷的位置，包括位错、斜位和Eshelby夹杂的情况。我们的研究结果表明，在结晶固体中，振动模式的拓扑缺陷与控制塑性变形的已建立的结构缺陷直接相关，并且呈现出与非晶固体中观察到的特征非常相似的特征。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Journal of The Mechanics and Physics of Solids 物理-材料科学：综合

CiteScore

9.80

自引率

9.40%

发文量

276

审稿时长

52 days

期刊介绍： The aim of Journal of The Mechanics and Physics of Solids is to publish research of the highest quality and of lasting significance on the mechanics of solids. The scope is broad, from fundamental concepts in mechanics to the analysis of novel phenomena and applications. Solids are interpreted broadly to include both hard and soft materials as well as natural and synthetic structures. The approach can be theoretical, experimental or computational.This research activity sits within engineering science and the allied areas of applied mathematics, materials science, bio-mechanics, applied physics, and geophysics. The Journal was founded in 1952 by Rodney Hill, who was its Editor-in-Chief until 1968. The topics of interest to the Journal evolve with developments in the subject but its basic ethos remains the same: to publish research of the highest quality relating to the mechanics of solids. Thus, emphasis is placed on the development of fundamental concepts of mechanics and novel applications of these concepts based on theoretical, experimental or computational approaches, drawing upon the various branches of engineering science and the allied areas within applied mathematics, materials science, structural engineering, applied physics, and geophysics. The main purpose of the Journal is to foster scientific understanding of the processes of deformation and mechanical failure of all solid materials, both technological and natural, and the connections between these processes and their underlying physical mechanisms. In this sense, the content of the Journal should reflect the current state of the discipline in analysis, experimental observation, and numerical simulation. In the interest of achieving this goal, authors are encouraged to consider the significance of their contributions for the field of mechanics and the implications of their results, in addition to describing the details of their work.