{"title":"无序系统原子动力学中弦和环的起源","authors":"Omar Hussein, Yang Li, Yuri Mishin","doi":"10.1016/j.actamat.2025.121212","DOIUrl":null,"url":null,"abstract":"<div><div>It has long been believed that the atomic dynamics in disordered structures, such as undercooled liquids and pre-melted interfaces, are characterized by collective atomic rearrangements in the form of quasi-one-dimensional chains of atomic displacements (strings) and their closed forms (rings). Here, we show by molecular dynamics (MD) simulations that strings involving more than a few atoms do not form by a single collective event. Instead, they represent trajectories of propagating local density perturbations, which we call densitons. The atoms on this trajectory are almost indistinguishable from their environments except for the moving head of the string (densiton). A densiton migrates by either single-atom jumps or a concerted rearrangement of 2–3 atoms. The simulations reveal a remarkable similarity between the strings in disordered and crystalline structures, in which the densitons localize into point defects. This work calls for a significant reinterpretation of the string concept and instead proposes a densiton model of the atomic dynamics.</div></div>","PeriodicalId":238,"journal":{"name":"Acta Materialia","volume":"296 ","pages":"Article 121212"},"PeriodicalIF":8.3000,"publicationDate":"2025-06-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"The origin of strings and rings in the atomic dynamics of disordered systems\",\"authors\":\"Omar Hussein, Yang Li, Yuri Mishin\",\"doi\":\"10.1016/j.actamat.2025.121212\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>It has long been believed that the atomic dynamics in disordered structures, such as undercooled liquids and pre-melted interfaces, are characterized by collective atomic rearrangements in the form of quasi-one-dimensional chains of atomic displacements (strings) and their closed forms (rings). Here, we show by molecular dynamics (MD) simulations that strings involving more than a few atoms do not form by a single collective event. Instead, they represent trajectories of propagating local density perturbations, which we call densitons. The atoms on this trajectory are almost indistinguishable from their environments except for the moving head of the string (densiton). A densiton migrates by either single-atom jumps or a concerted rearrangement of 2–3 atoms. The simulations reveal a remarkable similarity between the strings in disordered and crystalline structures, in which the densitons localize into point defects. This work calls for a significant reinterpretation of the string concept and instead proposes a densiton model of the atomic dynamics.</div></div>\",\"PeriodicalId\":238,\"journal\":{\"name\":\"Acta Materialia\",\"volume\":\"296 \",\"pages\":\"Article 121212\"},\"PeriodicalIF\":8.3000,\"publicationDate\":\"2025-06-17\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Acta Materialia\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S1359645425004999\",\"RegionNum\":1,\"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":"Acta Materialia","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S1359645425004999","RegionNum":1,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
The origin of strings and rings in the atomic dynamics of disordered systems
It has long been believed that the atomic dynamics in disordered structures, such as undercooled liquids and pre-melted interfaces, are characterized by collective atomic rearrangements in the form of quasi-one-dimensional chains of atomic displacements (strings) and their closed forms (rings). Here, we show by molecular dynamics (MD) simulations that strings involving more than a few atoms do not form by a single collective event. Instead, they represent trajectories of propagating local density perturbations, which we call densitons. The atoms on this trajectory are almost indistinguishable from their environments except for the moving head of the string (densiton). A densiton migrates by either single-atom jumps or a concerted rearrangement of 2–3 atoms. The simulations reveal a remarkable similarity between the strings in disordered and crystalline structures, in which the densitons localize into point defects. This work calls for a significant reinterpretation of the string concept and instead proposes a densiton model of the atomic dynamics.
期刊介绍:
Acta Materialia serves as a platform for publishing full-length, original papers and commissioned overviews that contribute to a profound understanding of the correlation between the processing, structure, and properties of inorganic materials. The journal seeks papers with high impact potential or those that significantly propel the field forward. The scope includes the atomic and molecular arrangements, chemical and electronic structures, and microstructure of materials, focusing on their mechanical or functional behavior across all length scales, including nanostructures.