通过分子动力学模拟研究焊接工具长度对焊接金属基体机械强度的影响

IF 2.7 4区 生物学 Q2 BIOCHEMICAL RESEARCH METHODS Journal of molecular graphics & modelling Pub Date : 2024-05-20 DOI:10.1016/j.jmgm.2024.108793
Xuejin Yang , Rassol Hamed Rasheed , Sami Abdulhak Saleh , Mohammed Al-Bahrani , C Manjunath , Raman Kumar , Soheil Salahshour , Rozbeh Sabetvand
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引用次数: 0

摘要

焊接工艺和焊接工具的特性可以改善物品的机械性能。其中一个特性就是焊接工具的长度。这种方法对金属基体的机械强度有很大影响。目前的研究使用分子动力学建模和 LAMMPS 软件来评估焊接工具长度对铜银焊接金属基体机械性能的影响。该模拟利用了伦纳德-琼斯势函数和嵌入式原子模型。首先,通过改变动能和总能的计算来验证模型样品的平衡相。接着,使用规定的杨氏模量和极限强度研究了焊接基体的机械性能。样品的应力-应变曲线表明,原子样品的机械强度随着焊接工具长度(穿透深度)的增加而增加。从数值上看,将铁工具的穿透深度从 2 Å 增加到 8 Å,基体样品的杨氏模量和极限强度分别从 34.360 GPa 到 1390.84 MPa 增加到 38.44 GPa 和 1510 MPa。这表明铁焊接工具的长度对焊接金属基体的机械性能有很大影响。铁焊接工具的长度越长,涉及的颗粒越多,因此颗粒之间形成的结合也越多。颗粒间的结合导致机械性能发生变化,例如极限强度提高。这种方法可以优化机械结构,并在各行各业中发挥作用。
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Investigating the effect of welding tool length on mechanical strength of welded metallic matrix by molecular dynamics simulation

The welding process and the properties of welding instruments may improve the mechanical performance of an item. One of these properties is the length of the welding tool. This approach has a substantial effect on the mechanical strength of the metallic matrix. The current study used molecular dynamics modeling and LAMMPS software to evaluate the effect of welding tool length on the mechanical properties of a welded Cu–Ag metallic matrix. This simulation makes use of the Lennard-Jones potential function and the embedded atom model. First, the equilibrium phase of modeled samples was verified by changing the computation of kinetic and total energies. Next, the mechanical properties of the welded matrix were studied using the stated Young's modulus and ultimate strength. The stress-strain curve of samples demonstrated that the mechanical strength of atomic samples increased as the length of the welding tool (penetration depth) increased. Numerically, by increasing the tool penetration depth of Fe tools from 2 Å to 8 Å, Young's modulus and ultimate strength of the matrixes sample increase from 34.360 GPa to 1390.84 MPa to 38.44 GPa and 1510 MPa, respectively. This suggested that the length of the Fe welding tool significantly affected the mechanical properties of the welded metallic matrix. The longer the length of Fe welding tools, the more particles were involved, and consequently, more bonds were formed among the particles. Bonding among the particles caused changes in mechanical properties, such as greater ultimate strength. This method can optimize mechanical structures and be useful in various industries.

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来源期刊
Journal of molecular graphics & modelling
Journal of molecular graphics & modelling 生物-计算机:跨学科应用
CiteScore
5.50
自引率
6.90%
发文量
216
审稿时长
35 days
期刊介绍: The Journal of Molecular Graphics and Modelling is devoted to the publication of papers on the uses of computers in theoretical investigations of molecular structure, function, interaction, and design. The scope of the journal includes all aspects of molecular modeling and computational chemistry, including, for instance, the study of molecular shape and properties, molecular simulations, protein and polymer engineering, drug design, materials design, structure-activity and structure-property relationships, database mining, and compound library design. As a primary research journal, JMGM seeks to bring new knowledge to the attention of our readers. As such, submissions to the journal need to not only report results, but must draw conclusions and explore implications of the work presented. Authors are strongly encouraged to bear this in mind when preparing manuscripts. Routine applications of standard modelling approaches, providing only very limited new scientific insight, will not meet our criteria for publication. Reproducibility of reported calculations is an important issue. Wherever possible, we urge authors to enhance their papers with Supplementary Data, for example, in QSAR studies machine-readable versions of molecular datasets or in the development of new force-field parameters versions of the topology and force field parameter files. Routine applications of existing methods that do not lead to genuinely new insight will not be considered.
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