{"title":"多体相互作用导致金属玻璃中无限坚固的笼内势能景观","authors":"Haoyu Li, Hongyi Xiao, Takeshi Egami, Yue Fan","doi":"10.1016/j.mtphys.2024.101582","DOIUrl":null,"url":null,"abstract":"The absence of translational symmetry in glassy materials poses a significant challenge in establishing effective structure-property relationships in real space. Consequently, the potential energy landscape (PEL) in phase space is widely utilized to comprehend the complex phenomena in glasses. The classical PEL features a two-scale profile comprising mega-basins and sub-basins, corresponding to α-relaxations (<em>e.g.</em> glass transition) and β-relaxations (<em>e.g.</em> local cage-breaking atomic rearrangements), respectively. Recent studies, however, reveal that sub-basins are not smooth and contain finer structures, the origins of which remain elusive. Here we probe the smoothness of sub-basin bottoms in glasses’ PEL by introducing small intra-cage cyclic loading and then measuring the net changes in atomic-level stresses. Compared to glasses with pair interaction, glasses with many-body interaction exhibit orders-of-magnitude larger and loading dependent stress changes even before the first cage-breaking event takes place, which reflect much more feature-rich sub-basins. We further demonstrate this stark contrast stems from the spatial distribution of individual atom’s constraining force field. Specifically, at vanishing perturbations, many-body interactions disrupt the positive-definite synchrony in energy variations of the perturbed atom and the whole system, causing inherently less confined atomic responses and infinitely rugged sub-basins. The implications of these findings for the selective addition or removal of fine structures in the PEL and the subsequent tuning of glassy materials’ responses to external stimuli are also explored.","PeriodicalId":18253,"journal":{"name":"Materials Today Physics","volume":null,"pages":null},"PeriodicalIF":10.0000,"publicationDate":"2024-11-06","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Infinitely Rugged Intra-Cage Potential Energy Landscape in Metallic Glasses Caused by Many-Body Interaction\",\"authors\":\"Haoyu Li, Hongyi Xiao, Takeshi Egami, Yue Fan\",\"doi\":\"10.1016/j.mtphys.2024.101582\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The absence of translational symmetry in glassy materials poses a significant challenge in establishing effective structure-property relationships in real space. Consequently, the potential energy landscape (PEL) in phase space is widely utilized to comprehend the complex phenomena in glasses. The classical PEL features a two-scale profile comprising mega-basins and sub-basins, corresponding to α-relaxations (<em>e.g.</em> glass transition) and β-relaxations (<em>e.g.</em> local cage-breaking atomic rearrangements), respectively. Recent studies, however, reveal that sub-basins are not smooth and contain finer structures, the origins of which remain elusive. Here we probe the smoothness of sub-basin bottoms in glasses’ PEL by introducing small intra-cage cyclic loading and then measuring the net changes in atomic-level stresses. Compared to glasses with pair interaction, glasses with many-body interaction exhibit orders-of-magnitude larger and loading dependent stress changes even before the first cage-breaking event takes place, which reflect much more feature-rich sub-basins. We further demonstrate this stark contrast stems from the spatial distribution of individual atom’s constraining force field. Specifically, at vanishing perturbations, many-body interactions disrupt the positive-definite synchrony in energy variations of the perturbed atom and the whole system, causing inherently less confined atomic responses and infinitely rugged sub-basins. The implications of these findings for the selective addition or removal of fine structures in the PEL and the subsequent tuning of glassy materials’ responses to external stimuli are also explored.\",\"PeriodicalId\":18253,\"journal\":{\"name\":\"Materials Today Physics\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":10.0000,\"publicationDate\":\"2024-11-06\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Materials Today Physics\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1016/j.mtphys.2024.101582\",\"RegionNum\":2,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Materials Today Physics","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1016/j.mtphys.2024.101582","RegionNum":2,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
引用次数: 0
摘要
玻璃材料不存在平移对称性,这给在实际空间中建立有效的结构-性能关系带来了巨大挑战。因此,相空间势能图(PEL)被广泛用于理解玻璃中的复杂现象。经典的势能图具有双尺度剖面,包括巨盆地和子盆地,分别对应于α-松弛(如玻璃转变)和β-松弛(如局部破笼原子重排)。然而,最近的研究发现,亚盆地并不光滑,它包含更精细的结构,而这些结构的起源仍然难以捉摸。在此,我们通过引入小的笼内循环加载,然后测量原子级应力的净变化,来探究玻璃 PEL 中子盆地底部的平滑性。与具有配对相互作用的玻璃相比,具有多体相互作用的玻璃甚至在第一次破笼事件发生之前就表现出了数量级更大且与加载相关的应力变化,这反映了特征更为丰富的子盆地。我们进一步证明,这种鲜明对比源于单个原子约束力场的空间分布。具体来说,在扰动消失时,多体相互作用会破坏受扰动原子和整个系统能量变化的正无限同步性,从而导致原子反应的内在约束性降低和子盆地的无限崎岖。此外,还探讨了这些发现对选择性添加或去除 PEL 中的精细结构以及随后调整玻璃材料对外部刺激的反应的影响。
Infinitely Rugged Intra-Cage Potential Energy Landscape in Metallic Glasses Caused by Many-Body Interaction
The absence of translational symmetry in glassy materials poses a significant challenge in establishing effective structure-property relationships in real space. Consequently, the potential energy landscape (PEL) in phase space is widely utilized to comprehend the complex phenomena in glasses. The classical PEL features a two-scale profile comprising mega-basins and sub-basins, corresponding to α-relaxations (e.g. glass transition) and β-relaxations (e.g. local cage-breaking atomic rearrangements), respectively. Recent studies, however, reveal that sub-basins are not smooth and contain finer structures, the origins of which remain elusive. Here we probe the smoothness of sub-basin bottoms in glasses’ PEL by introducing small intra-cage cyclic loading and then measuring the net changes in atomic-level stresses. Compared to glasses with pair interaction, glasses with many-body interaction exhibit orders-of-magnitude larger and loading dependent stress changes even before the first cage-breaking event takes place, which reflect much more feature-rich sub-basins. We further demonstrate this stark contrast stems from the spatial distribution of individual atom’s constraining force field. Specifically, at vanishing perturbations, many-body interactions disrupt the positive-definite synchrony in energy variations of the perturbed atom and the whole system, causing inherently less confined atomic responses and infinitely rugged sub-basins. The implications of these findings for the selective addition or removal of fine structures in the PEL and the subsequent tuning of glassy materials’ responses to external stimuli are also explored.
期刊介绍:
Materials Today Physics is a multi-disciplinary journal focused on the physics of materials, encompassing both the physical properties and materials synthesis. Operating at the interface of physics and materials science, this journal covers one of the largest and most dynamic fields within physical science. The forefront research in materials physics is driving advancements in new materials, uncovering new physics, and fostering novel applications at an unprecedented pace.