{"title":"韧性材料与脆性材料中随机离散位错动力学模拟","authors":"Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri","doi":"10.1016/j.commatsci.2024.113541","DOIUrl":null,"url":null,"abstract":"<div><div>Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of materials under various conditions is essential for analysing the performance of the materials. Ductility of a material is directly related with the movement and rearrangement of dislocations under applied load. In this work, we look into the dynamics of dislocations in ductile and brittle materials using simplified two dimensional discrete dislocation dynamics (2D-DDD) simulation. We consider Aluminium (Al) and Tungsten (W) as representative examples of ductile and brittle materials respectively. We study the velocity distribution, strain field, dislocation count, and junction formation during interactions of the dislocations within the domain. Furthermore, we study the probability densities of dislocation motion for both materials. In mesoscale, moving dislocations can be considered as particle diffusion, which are often stochastic and super-diffusive. Classical diffusion models fail to account for these phenomena and the long-range interactions of dislocations. Therefore, we propose the nonlocal transport model for the probability density and obtained the parameters of nonlocal operators using a machine learning framework.</div></div>","PeriodicalId":10650,"journal":{"name":"Computational Materials Science","volume":"247 ","pages":"Article 113541"},"PeriodicalIF":3.1000,"publicationDate":"2024-11-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Simulation of stochastic discrete dislocation dynamics in ductile Vs brittle materials\",\"authors\":\"Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri\",\"doi\":\"10.1016/j.commatsci.2024.113541\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<div><div>Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of materials under various conditions is essential for analysing the performance of the materials. Ductility of a material is directly related with the movement and rearrangement of dislocations under applied load. In this work, we look into the dynamics of dislocations in ductile and brittle materials using simplified two dimensional discrete dislocation dynamics (2D-DDD) simulation. We consider Aluminium (Al) and Tungsten (W) as representative examples of ductile and brittle materials respectively. We study the velocity distribution, strain field, dislocation count, and junction formation during interactions of the dislocations within the domain. Furthermore, we study the probability densities of dislocation motion for both materials. In mesoscale, moving dislocations can be considered as particle diffusion, which are often stochastic and super-diffusive. Classical diffusion models fail to account for these phenomena and the long-range interactions of dislocations. Therefore, we propose the nonlocal transport model for the probability density and obtained the parameters of nonlocal operators using a machine learning framework.</div></div>\",\"PeriodicalId\":10650,\"journal\":{\"name\":\"Computational Materials Science\",\"volume\":\"247 \",\"pages\":\"Article 113541\"},\"PeriodicalIF\":3.1000,\"publicationDate\":\"2024-11-27\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Computational Materials Science\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://www.sciencedirect.com/science/article/pii/S0927025624007626\",\"RegionNum\":3,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q2\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Computational Materials Science","FirstCategoryId":"88","ListUrlMain":"https://www.sciencedirect.com/science/article/pii/S0927025624007626","RegionNum":3,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q2","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Simulation of stochastic discrete dislocation dynamics in ductile Vs brittle materials
Defects are inevitable during the manufacturing processes of materials. Presence of these defects and their dynamics significantly influence the responses of materials. A thorough understanding of dislocation dynamics of different types of materials under various conditions is essential for analysing the performance of the materials. Ductility of a material is directly related with the movement and rearrangement of dislocations under applied load. In this work, we look into the dynamics of dislocations in ductile and brittle materials using simplified two dimensional discrete dislocation dynamics (2D-DDD) simulation. We consider Aluminium (Al) and Tungsten (W) as representative examples of ductile and brittle materials respectively. We study the velocity distribution, strain field, dislocation count, and junction formation during interactions of the dislocations within the domain. Furthermore, we study the probability densities of dislocation motion for both materials. In mesoscale, moving dislocations can be considered as particle diffusion, which are often stochastic and super-diffusive. Classical diffusion models fail to account for these phenomena and the long-range interactions of dislocations. Therefore, we propose the nonlocal transport model for the probability density and obtained the parameters of nonlocal operators using a machine learning framework.
期刊介绍:
The goal of Computational Materials Science is to report on results that provide new or unique insights into, or significantly expand our understanding of, the properties of materials or phenomena associated with their design, synthesis, processing, characterization, and utilization. To be relevant to the journal, the results should be applied or applicable to specific material systems that are discussed within the submission.