Jinxin Yu, Alfonso H W Ngan, David J Srolovitz, Jian Han
{"title":"在中尺度塑性模拟中应用严格的界面边界条件","authors":"Jinxin Yu, Alfonso H W Ngan, David J Srolovitz, Jian Han","doi":"10.1088/1361-651x/ad26a0","DOIUrl":null,"url":null,"abstract":"The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical properties of materials. However, the traditional approaches used to simulate grain boundaries lack physical fidelity and are often incompatible across different simulation methods. We review a new mesoscale interface boundary condition based on Burgers vector conservation and kinetic dislocation reaction processes. The main focus of the paper is to demonstrate how to unify this boundary condition with different plasticity simulation approaches such as the crystal plasticity finite element (CPFEM), continuum dislocation dynamics (CDD), and discrete dislocation dynamics (DDD) methods. In DDD and CDD, plasticity is simulated based on dislocation activity; in the former, dislocations are described as discrete lines while in the latter in terms of dislocation density. CPFEM simulates plasticity in terms of slip on each slip system, without explicit treatment of dislocations; it is suitable for larger scale simulations. To validate our interface boundary condition, we implemented simulations using both the CPFEM method and a two-dimensional CDD model. Our results show that our compact and physically realistic interface boundary condition can be easily integrated into multiscale simulation methods and yield novel results consistent with experimental observations.","PeriodicalId":18648,"journal":{"name":"Modelling and Simulation in Materials Science and Engineering","volume":"36 1","pages":""},"PeriodicalIF":1.9000,"publicationDate":"2024-02-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Application of rigorous interface boundary conditions in mesoscale plasticity simulations\",\"authors\":\"Jinxin Yu, Alfonso H W Ngan, David J Srolovitz, Jian Han\",\"doi\":\"10.1088/1361-651x/ad26a0\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical properties of materials. However, the traditional approaches used to simulate grain boundaries lack physical fidelity and are often incompatible across different simulation methods. We review a new mesoscale interface boundary condition based on Burgers vector conservation and kinetic dislocation reaction processes. The main focus of the paper is to demonstrate how to unify this boundary condition with different plasticity simulation approaches such as the crystal plasticity finite element (CPFEM), continuum dislocation dynamics (CDD), and discrete dislocation dynamics (DDD) methods. In DDD and CDD, plasticity is simulated based on dislocation activity; in the former, dislocations are described as discrete lines while in the latter in terms of dislocation density. CPFEM simulates plasticity in terms of slip on each slip system, without explicit treatment of dislocations; it is suitable for larger scale simulations. To validate our interface boundary condition, we implemented simulations using both the CPFEM method and a two-dimensional CDD model. Our results show that our compact and physically realistic interface boundary condition can be easily integrated into multiscale simulation methods and yield novel results consistent with experimental observations.\",\"PeriodicalId\":18648,\"journal\":{\"name\":\"Modelling and Simulation in Materials Science and Engineering\",\"volume\":\"36 1\",\"pages\":\"\"},\"PeriodicalIF\":1.9000,\"publicationDate\":\"2024-02-26\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Modelling and Simulation in Materials Science and Engineering\",\"FirstCategoryId\":\"88\",\"ListUrlMain\":\"https://doi.org/10.1088/1361-651x/ad26a0\",\"RegionNum\":4,\"RegionCategory\":\"材料科学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q3\",\"JCRName\":\"MATERIALS SCIENCE, MULTIDISCIPLINARY\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Modelling and Simulation in Materials Science and Engineering","FirstCategoryId":"88","ListUrlMain":"https://doi.org/10.1088/1361-651x/ad26a0","RegionNum":4,"RegionCategory":"材料科学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q3","JCRName":"MATERIALS SCIENCE, MULTIDISCIPLINARY","Score":null,"Total":0}
Application of rigorous interface boundary conditions in mesoscale plasticity simulations
The interactions between dislocations and interface/grain boundaries, including dislocation absorption, transmission, and reflection, have garnered significant attention from the research community for their impact on the mechanical properties of materials. However, the traditional approaches used to simulate grain boundaries lack physical fidelity and are often incompatible across different simulation methods. We review a new mesoscale interface boundary condition based on Burgers vector conservation and kinetic dislocation reaction processes. The main focus of the paper is to demonstrate how to unify this boundary condition with different plasticity simulation approaches such as the crystal plasticity finite element (CPFEM), continuum dislocation dynamics (CDD), and discrete dislocation dynamics (DDD) methods. In DDD and CDD, plasticity is simulated based on dislocation activity; in the former, dislocations are described as discrete lines while in the latter in terms of dislocation density. CPFEM simulates plasticity in terms of slip on each slip system, without explicit treatment of dislocations; it is suitable for larger scale simulations. To validate our interface boundary condition, we implemented simulations using both the CPFEM method and a two-dimensional CDD model. Our results show that our compact and physically realistic interface boundary condition can be easily integrated into multiscale simulation methods and yield novel results consistent with experimental observations.
期刊介绍:
Serving the multidisciplinary materials community, the journal aims to publish new research work that advances the understanding and prediction of material behaviour at scales from atomistic to macroscopic through modelling and simulation.
Subject coverage:
Modelling and/or simulation across materials science that emphasizes fundamental materials issues advancing the understanding and prediction of material behaviour. Interdisciplinary research that tackles challenging and complex materials problems where the governing phenomena may span different scales of materials behaviour, with an emphasis on the development of quantitative approaches to explain and predict experimental observations. Material processing that advances the fundamental materials science and engineering underpinning the connection between processing and properties. Covering all classes of materials, and mechanical, microstructural, electronic, chemical, biological, and optical properties.