The effect of external force on the crack propagation of aluminum nanoplate using molecular dynamics approach: Insights into the fracture mechanisms of metallic nanomaterials under external loading condition

IF 5.45 Q1 Physics and Astronomy

Nano-Structures & Nano-Objects Pub Date : 2024-10-28 DOI:10.1016/j.nanoso.2024.101397

Shaymaa Abed Hussein , Rassol Hamed Rasheed , Murtadha M. Al-Zahiwat , Abrar A. Mohammed , Soheil Salahshour , Sh. Baghaei

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引用次数: 0

Abstract

It is crucial to comprehend how external forces (EFs) affect crack propagation (CP) in aluminum (Al) nanoplates to develop and create nanomaterials with enhanced mechanical characteristics. The creation of novel materials for a variety of uses, such as the aerospace, electronics, and energy sectors, may benefit from this expertise. Additionally, insights into the fracture mechanisms of nanomaterials can aid in designing more reliable and durable structures at the nanoscale. This study utilized computer models to investigate the effect of EFs on fractures in Al nanoplates. The results suggest that an EF can significantly alter CP within nanoplates. The findings provide insights into the fracture mechanisms of metallic nanomaterials under external loading conditions. Simulation results in current research showed the physical stability of modeled Al nanoplates at T=300 K as the initial temperature. Numerically, the total energy (TE) of pristine nanoplate converged to −34762.953 eV after thermodynamic equilibrium detection inside the computational box. Furthermore, the simulation results show that EF caused the crack growth procedure intensity to increase. In the present study, the crack length value increased to 33.902 Å between our modeled samples. This result led to the conclusion that in real-world applications, it is important to consider the effect of EFs on the development of cracks within Al nanoplates.

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利用分子动力学方法研究外力对纳米铝板裂纹扩展的影响：外部加载条件下金属纳米材料断裂机制的启示

了解外力（EF）如何影响铝（Al）纳米板的裂纹扩展（CP），对于开发和创造具有更强机械特性的纳米材料至关重要。为航空航天、电子和能源等多种用途创造新型材料可能会受益于这一专业知识。此外，深入了解纳米材料的断裂机制有助于设计出更可靠、更耐用的纳米级结构。本研究利用计算机模型研究了 EF 对铝纳米板断裂的影响。结果表明，EF 能显著改变纳米板内的 CP。这些发现为了解金属纳米材料在外部加载条件下的断裂机制提供了启示。当前研究的模拟结果表明，在初始温度为 T=300 K 时，模型铝纳米板具有物理稳定性。通过数值计算，原始纳米板的总能量（TE）在计算盒内经过热力学平衡检测后收敛至-34762.953 eV。此外，模拟结果表明，EF 导致裂纹生长过程强度增加。在本研究中，建模样品之间的裂纹长度值增加到 33.902 Å。这一结果得出的结论是，在实际应用中，考虑 EF 对铝纳米板内部裂纹发展的影响非常重要。

本文章由计算机程序翻译，如有差异，请以英文原文为准。

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来源期刊

Nano-Structures & Nano-Objects Physics and Astronomy-Condensed Matter Physics

CiteScore

9.20

自引率

0.00%

发文量

审稿时长

22 days

期刊介绍： Nano-Structures & Nano-Objects is a new journal devoted to all aspects of the synthesis and the properties of this new flourishing domain. The journal is devoted to novel architectures at the nano-level with an emphasis on new synthesis and characterization methods. The journal is focused on the objects rather than on their applications. However, the research for new applications of original nano-structures & nano-objects in various fields such as nano-electronics, energy conversion, catalysis, drug delivery and nano-medicine is also welcome. The scope of Nano-Structures & Nano-Objects involves: -Metal and alloy nanoparticles with complex nanostructures such as shape control, core-shell and dumbells -Oxide nanoparticles and nanostructures, with complex oxide/metal, oxide/surface and oxide /organic interfaces -Inorganic semi-conducting nanoparticles (quantum dots) with an emphasis on new phases, structures, shapes and complexity -Nanostructures involving molecular inorganic species such as nanoparticles of coordination compounds, molecular magnets, spin transition nanoparticles etc. or organic nano-objects, in particular for molecular electronics -Nanostructured materials such as nano-MOFs and nano-zeolites -Hetero-junctions between molecules and nano-objects, between different nano-objects & nanostructures or between nano-objects & nanostructures and surfaces -Methods of characterization specific of the nano size or adapted for the nano size such as X-ray and neutron scattering, light scattering, NMR, Raman, Plasmonics, near field microscopies, various TEM and SEM techniques, magnetic studies, etc .