Mechanical optimization of an Al-Al2O3 composite nanowire via molecular dynamics simulation and metaheuristic optimization

Mohammad Pakray, Sajad Hayati, S. K. Jalali
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Abstract

In the present study, mechanical properties optimization is investigated for an Al-Al2O3 composite nanostructure. The Al-Al2O3 composite nanostructure is considered an Aluminum nanowire reinforced by spherical Al2O3 particles. The structure tensile test is simulated via molecular dynamics simulation using LAMMPS. The mechanical properties of the composite are extracted from the obtained stress-strain curve of the composite. The important mechanical properties include maximum stress and toughness. An optimization process is then applied to maximize the mechanical properties of the composite via metaheuristic optimization algorithms including Genetic Algorithm (GA), Ant Colony (ACO), and Grey Wolf Optimizer (GWO). Since the studied nanostructure is mono crystal, the reinforcing mechanism differs from that of a grained macro material. Therefore, the optimization variables are not confined to size and volume fraction but they also include the location of the particles. The optimization is performed for 0.05 and 0.10 volume fractions and different particle sizes with respect to the location of particles. Applying the optimization process, the mechanical properties of the studied composite nanowire are substantially improved for tensile loading. The results reveal that the placement of the particles has a considerable effect on the improvement of mechanical characteristics. At last, a pattern is presented for the placement of particles to achieve the highest tensile characteristics of Al-Al2O3 composite nanowires.
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基于分子动力学模拟和元启发式优化的Al-Al2O3复合纳米线力学优化
本文研究了Al-Al2O3复合纳米结构的力学性能优化。Al-Al2O3复合纳米结构被认为是由球形Al2O3颗粒增强的铝纳米线。利用LAMMPS进行分子动力学模拟,模拟了结构的拉伸试验。从得到的复合材料应力-应变曲线中提取复合材料的力学性能。重要的力学性能包括最大应力和韧性。然后,通过遗传算法(GA)、蚁群算法(ACO)和灰狼优化器(GWO)等元启发式优化算法,应用优化过程使复合材料的力学性能最大化。由于所研究的纳米结构是单晶结构,其增强机制不同于晶粒宏观材料。因此,优化变量不仅限于粒径和体积分数,还包括颗粒的位置。在0.05和0.10体积分数和不同粒径条件下,对颗粒的位置进行了优化。应用优化工艺,复合纳米线在拉伸载荷下的力学性能得到了显著提高。结果表明,颗粒的放置对力学性能的改善有相当大的影响。最后,提出了一种能使Al-Al2O3复合纳米线获得最高拉伸性能的粒子放置模式。
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来源期刊
CiteScore
6.00
自引率
1.70%
发文量
24
期刊介绍: Proceedings of the Institution of Mechanical Engineers Part N-Journal of Nanomaterials Nanoengineering and Nanosystems is a peer-reviewed scientific journal published since 2004 by SAGE Publications on behalf of the Institution of Mechanical Engineers. The journal focuses on research in the field of nanoengineering, nanoscience and nanotechnology and aims to publish high quality academic papers in this field. In addition, the journal is indexed in several reputable academic databases and abstracting services, including Scopus, Compendex, and CSA's Advanced Polymers Abstracts, Composites Industry Abstracts, and Earthquake Engineering Abstracts.
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