A molecular dynamic simulation-based study on nanoscale friction stir welding between copper and aluminium

IF 1.9 4区 化学 Q4 CHEMISTRY, PHYSICAL Molecular Simulation Pub Date : 2023-11-14 DOI:10.1080/08927022.2023.2279135
Roshan Kumar Jha, K. Vijay Reddy, Snehanshu Pal
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Abstract

ABSTRACTThe primary aim of this study is to enhance our understanding of friction stir welding (FSW) at the atomic level. To accomplish this, we utilised molecular dynamics simulations to examine the nanoscale fusion welding of dissimilar metals, i.e. aluminium and copper, through the FSW method. Our particular focus was on how the rotation speed of the tool affects structural changes and defect evolution during the nanoscale FSW process. Our research findings revealed that the region subjected to frictional stirring undergoes a phase change as a result of extensive plastic deformation during the FSW operation. Notably, stacking faults and similar defects were predominantly observed on the advancing side as the tool rotated and moved into the friction stir zone. Further, investigation of atomic shear strain snapshots indicated that higher rotational speeds resulted in a broader and more scattered friction stir zone, requiring a longer recovery time compared to slower rotational speeds. Additionally, the changes in atomic concentration during FSW have been studied using displacement vectors, concentration profiles and diffusion coefficient parameters. We also conducted simulation-based tensile and shear deformation tests, which revealed that higher tool rotational speeds led to enhanced material interlocking, consequently improving the mechanical strength of the FSW joints.KEYWORDS: Dissimilar materialfriction stir weldingmolecular dynamic simulationnano welding Conflicts of interestThe authors declare that they have no known competing financial interests or personal relationships that could have appeared to influence the work reported in this paper.Authors contribution statementAll the authors are actively involved in Conceptualisation; Data curation; Formal analysis; Investigation; Methodology; Resources; Software; Supervision; Validation; Visualisation; Writing – original manuscript draft; Writing – review & editing.Data availabilityThe raw/processed data required to reproduce these findings cannot be shared at this time because it is a part of an ongoing study.Disclosure statementNo potential conflict of interest was reported by the author(s).
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基于分子动力学模拟的纳米级铜铝搅拌摩擦焊接研究
摘要本研究的主要目的是在原子水平上提高我们对搅拌摩擦焊接(FSW)的认识。为了实现这一目标,我们利用分子动力学模拟来研究不同金属(即铝和铜)的纳米级熔焊,通过FSW方法。我们特别关注的是工具的转速如何影响纳米级FSW过程中的结构变化和缺陷演变。我们的研究结果表明,在FSW运行过程中,由于广泛的塑性变形,受摩擦搅拌的区域发生了相变。值得注意的是,当刀具旋转并进入搅拌摩擦区时,在前进侧主要观察到堆积缺陷和类似缺陷。此外,对原子剪切应变快照的研究表明,较高的转速导致摩擦搅拌区更宽、更分散,与较慢的转速相比,需要更长的恢复时间。此外,还利用位移矢量、浓度分布和扩散系数等参数研究了FSW过程中原子浓度的变化。我们还进行了基于模拟的拉伸和剪切变形测试,结果表明,更高的刀具转速可以增强材料联锁,从而提高FSW接头的机械强度。关键词:异种材料搅拌摩擦焊分子动力学模拟纳米焊接利益冲突作者声明,他们没有已知的竞争经济利益或个人关系,可能会影响本文所报道的工作。作者贡献声明所有作者都积极参与了概念化;数据管理;正式的分析;调查;方法;资源;软件;监督;验证;可视化;写作-原稿初稿;写作-审查和编辑。数据可用性再现这些发现所需的原始/处理数据目前不能共享,因为它是正在进行的研究的一部分。披露声明作者未报告潜在的利益冲突。
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来源期刊
Molecular Simulation
Molecular Simulation 化学-物理:原子、分子和化学物理
CiteScore
3.80
自引率
9.50%
发文量
128
审稿时长
3.1 months
期刊介绍: Molecular Simulation covers all aspects of research related to, or of importance to, molecular modelling and simulation. Molecular Simulation brings together the most significant papers concerned with applications of simulation methods, and original contributions to the development of simulation methodology from biology, biochemistry, chemistry, engineering, materials science, medicine and physics. The aim is to provide a forum in which cross fertilization between application areas, methodologies, disciplines, as well as academic and industrial researchers can take place and new developments can be encouraged. Molecular Simulation is of interest to all researchers using or developing simulation methods based on statistical mechanics/quantum mechanics. This includes molecular dynamics (MD, AIMD), Monte Carlo, ab initio methods related to simulation, multiscale and coarse graining methods.
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