韧性材料与脆性材料中随机离散位错动力学模拟

IF 3.1 3区 材料科学 Q2 MATERIALS SCIENCE, MULTIDISCIPLINARY Computational Materials Science Pub Date : 2024-11-27 DOI:10.1016/j.commatsci.2024.113541
Santosh Chhetri , Maryam Naghibolhosseini , Mohsen Zayernouri
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引用次数: 0

摘要

在材料的制造过程中,缺陷是不可避免的。这些缺陷的存在及其动态对材料的反应有很大影响。透彻了解不同类型材料在各种条件下的位错动力学对于分析材料的性能至关重要。材料的延展性与位错在外加载荷下的运动和重新排列直接相关。在这项工作中,我们使用简化的二维离散位错动力学(2D-DDD)模拟来研究韧性和脆性材料中的位错动力学。我们将铝(Al)和钨(W)分别作为韧性和脆性材料的代表。我们研究了位错在域内相互作用时的速度分布、应变场、位错数量和结点形成。此外,我们还研究了这两种材料的位错运动概率密度。在中尺度中,位错运动可视为粒子扩散,通常具有随机性和超扩散性。经典扩散模型无法解释这些现象和差排的长程相互作用。因此,我们提出了概率密度的非局部传输模型,并利用机器学习框架获得了非局部算子的参数。
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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.
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来源期刊
Computational Materials Science
Computational Materials Science 工程技术-材料科学:综合
CiteScore
6.50
自引率
6.10%
发文量
665
审稿时长
26 days
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.
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