Investigation on mechanical properties of nanofoam aluminum single crystal: using the method of molecular dynamics simul
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Investigation on mechanical properties of nanofoam aluminum single crystal: using the method of molecular dynamics simulation Maryam Mikelani1 · Masoud Panjepour1 · Aboozar Taherizadeh1 Received: 20 June 2020 / Accepted: 23 October 2020 © Springer-Verlag GmbH Germany, part of Springer Nature 2020
Abstract In this research, the mechanical behavior of aluminum nanofoam was studied by the method of molecular dynamics simulation. The effective parameters in mechanical properties such as porosity, pore size, temperature, and strain-rate were investigated. The results showed that Young’s modulus, yield strength, and ultimate tensile strength were increased by decreasing the porosity and pore size. To accurately calculate the Young’s modulus (Es), the yield strength (σYS) and the ultimate tensile strength, combining the stress–strain curves with the potential and kinetic energy-strain curves was suggested as a standard method. The investigations about the effects of temperature and strain-rate on the tensile behavior showed that increasing temperature cause decrease in Es, σYS, and σUTS of foams. Moreover, the σUTS increased significantly while the Es and the σYS of the samples exhibited minor change with an increase in strain-rate. Nanofoam failure also occurred by stress localization, nucleation, and growth of cracks on the surface of pores. Keywords MD simulation · Nanoporous · Tensile properties · Single crystal
1 Introduction Nanoscale materials and their properties have been studied over the past several decades. Significant properties of nanomaterials due to the effects of their size, surface, and an interface can be mentioned as the main reason for their popularity among material scientists and researchers. Nanoporous (np) metallic foams are used in a wide variety of applications such as aerospace, filtration, catalyst, heat and mass transfer, mainly due to their high porosity, low density and associated mechanical and medium transport properties [1–6]. In recent years, aluminum nanofoam caught researchers’ attention for nano-electro-mechanical systems, produce hydrogen on-site, combustion fuel catalysts, filtration, and adsorption (e.g. nanoporous adsorbents) [7–9]. Different characteristics of these materials, such as the porosity percentage, distribution of open and closed pores, as well as external conditions such as strain rate and temperature play essential roles in the chemical and mechanical properties. Hence, the study of these parameters is a * Maryam Mikelani [email protected] 1
Department of Materials Engineering, Isfahan University of Technology, 84156 Isfahan, Iran
significant research area for metallic foams. Moreover, understanding the deformation mechanics of nanofoams under various conditions and parameters can help to design the final product with desirable mechanical properties [10–16]. Many studies, including both experimental and theoretical modeling, were conducted on the mechanical properties of the foams. It was found that the strength is controlled by the microstructural para
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