制备工艺参数和石墨烯增强对增材制造AlSi10Mg合金力学行为的影响:分子动力学模拟研究

IF 2.1 4区 化学 Q4 BIOCHEMISTRY & MOLECULAR BIOLOGY
Sunita K. Srivastava, N. Rajesh Mathivanan
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引用次数: 0

摘要

si10mg合金是最广泛认可的铝合金之一,由于其尺寸稳定性和卓越的增材制造性能。然而,通过适当的强化和制造工艺参数的控制可以提高和优化合金的性能。研究了工艺参数(激光功率、扫描速度和层厚)和石墨烯增强对slm制备AlSi10Mg合金力学性能的影响。结果表明,在研究范围内,增大激光功率可提高材料的抗拉强度和抗压强度。此外,降低激光扫描速度改善了这些性能,尽管进一步降低超过阈值的影响最小。然而,在保持相同激光功率的同时增加层厚度会降低材料的性能,这种影响可以通过提供更多的激光能量来缓解。石墨烯作为增强剂的加入显著改善了复合材料的性能,改善了其弹性和塑性性能。石墨烯增强剂还能提高AlSi10Mg合金的刚度、屈服强度、韧性和极限强度,是增强AlSi10Mg合金性能的有效途径。方法采用分子动力学(MD)方法,利用LAMMPS(大规模原子/分子大规模并行模拟器)软件对选择性激光熔化(SLM)过程进行建模。设计了仿真程序,分析了激光功率(500、600和700 μW)、扫描速度(1、1.5和2 nm/ps)和层厚(二粒子和三粒子层体系)等工艺参数对AlSi10Mg合金力学性能(抗拉和抗压强度)的影响。此外,石墨烯增强的影响也通过纳米级模拟进行了研究。模拟提供了对SLM过程和合金及其复合材料在不同加工条件下的力学行为的见解。
本文章由计算机程序翻译,如有差异,请以英文原文为准。
Effect of fabrication process parameters and graphene reinforcement on mechanical behaviour of additively manufactured AlSi10Mg alloy: A molecular dynamics simulation study

Context

AlSi10Mg alloy is among the most widely recognised aluminium alloys due to its dimensional stability and exceptional properties for additive manufacturing. However, the alloy’s performance can be improved and optimized through appropriate reinforcement and control of the manufacturing process parameters. This work focuses on the impact of process parameters (laser power, scan speed and layer thickness) and graphene reinforcement on the mechanical properties of SLM-fabricated AlSi10Mg alloy. The results indicate that, increasing the laser power within the studied range enhances both tensile and compressive strength. Furthermore, reducing the laser scanning speed improved these properties, although further reduction beyond a threshold value minimizes the impact. However, increasing the layer thickness while maintaining the same laser power reduces the material properties, the effect can be mitigated by supplying more laser energy. The addition of graphene as reinforcement has markedly improved the composite properties, improving its elastic and plastic behaviour. The graphene reinforcement also improved the stiffness, yield strength, toughness, and ultimate strength making it a highly effective way to enhance the AlSi10Mg alloy performance.

Methods

In this study, molecular dynamics (MD) was performed to model the selective laser melting (SLM) process using LAMMPS (large-scale atomic/molecular massively parallel simulator) software. The simulation setup was programmed to analyse the impact of process parameters, including laser power (500, 600, and 700 μW), scanning speed (1, 1.5, and 2 nm/ps) and layer thickness (two and three-particle layer system) on the mechanical properties (tensile and compressive strength) of AlSi10Mg alloy. Additionally, the impact of graphene reinforcement was also examined using nano-scale simulation. The simulation provides insights into both the SLM process and the mechanical behaviour of the alloy and its composite under different processing conditions.

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来源期刊
Journal of Molecular Modeling
Journal of Molecular Modeling 化学-化学综合
CiteScore
3.50
自引率
4.50%
发文量
362
审稿时长
2.9 months
期刊介绍: The Journal of Molecular Modeling focuses on "hardcore" modeling, publishing high-quality research and reports. Founded in 1995 as a purely electronic journal, it has adapted its format to include a full-color print edition, and adjusted its aims and scope fit the fast-changing field of molecular modeling, with a particular focus on three-dimensional modeling. Today, the journal covers all aspects of molecular modeling including life science modeling; materials modeling; new methods; and computational chemistry. Topics include computer-aided molecular design; rational drug design, de novo ligand design, receptor modeling and docking; cheminformatics, data analysis, visualization and mining; computational medicinal chemistry; homology modeling; simulation of peptides, DNA and other biopolymers; quantitative structure-activity relationships (QSAR) and ADME-modeling; modeling of biological reaction mechanisms; and combined experimental and computational studies in which calculations play a major role.
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