“…The Young's modulus of pure Al was determined to be 61.43 GPa using compression simulation, which is in close agreement with the experimentally published values of 60.2-76.1 GPa [36][37][38]. In addition, it is in reasonable agreement with the simulation results that reported a Young's modulus of 64.4-74.8 GPa [11,19,39]. In the present study, yield stress and strain were obtained as 5.9 GPa and 0.1, respectively, which are also comparable to the published values of 6 GPa and 0.11 of yield stress and strain, respectively [19].…”
Section: Validation Of Simulation Proceduressupporting
Metal matrix nanocomposites have been actively studied to discover the characteristics of a new class of materials. In the present study, metal matrix nanocomposites are investigated using molecular dynamics simulations of the compressive behavior of nanoporous carbon nanotube (CNT)aluminum (Al) composites that have a density of approximately 77% to that of pure Al. The weightreduced nanocomposites exhibited an enhanced Young's modulus of 138%, and a compressive strength degraded by 13% compared with pure Al. Through stress decomposition into CNT and Al constituents, it was observed that the Young's modulus was enhanced due to the high stiffness of the CNTs; further, the reduced strength was primarily due to the early failure strain. The effects of CNT volume fractions and sizes are further analyzed using the rule of mixture, which is modified by the interphase area definition. In addition, the atomistic details of the structure and stress revealed a buckling behavior in the CNT as well as a massive slip behavior in the Al matrix during plastic deformation. The results presented in this study will have implications in the design and development of metal matrix nanocomposites for applications in high-performance lightweight materials.
“…The Young's modulus of pure Al was determined to be 61.43 GPa using compression simulation, which is in close agreement with the experimentally published values of 60.2-76.1 GPa [36][37][38]. In addition, it is in reasonable agreement with the simulation results that reported a Young's modulus of 64.4-74.8 GPa [11,19,39]. In the present study, yield stress and strain were obtained as 5.9 GPa and 0.1, respectively, which are also comparable to the published values of 6 GPa and 0.11 of yield stress and strain, respectively [19].…”
Section: Validation Of Simulation Proceduressupporting
Metal matrix nanocomposites have been actively studied to discover the characteristics of a new class of materials. In the present study, metal matrix nanocomposites are investigated using molecular dynamics simulations of the compressive behavior of nanoporous carbon nanotube (CNT)aluminum (Al) composites that have a density of approximately 77% to that of pure Al. The weightreduced nanocomposites exhibited an enhanced Young's modulus of 138%, and a compressive strength degraded by 13% compared with pure Al. Through stress decomposition into CNT and Al constituents, it was observed that the Young's modulus was enhanced due to the high stiffness of the CNTs; further, the reduced strength was primarily due to the early failure strain. The effects of CNT volume fractions and sizes are further analyzed using the rule of mixture, which is modified by the interphase area definition. In addition, the atomistic details of the structure and stress revealed a buckling behavior in the CNT as well as a massive slip behavior in the Al matrix during plastic deformation. The results presented in this study will have implications in the design and development of metal matrix nanocomposites for applications in high-performance lightweight materials.
“…This observation is in line with the results reported in literature. 43 To validate the MD procedure employed in the present study to evaluate the tensile and shear moduli of GS-reinforced Al nanocomposite, the obtained elastic modulus for pure Al is compared with the result reported by Rong et al 36 Along with pure Al, the tensile elastic modulus of GS-reinforced Al nanocomposite is also predicted by the approach developed by Srivastava and Kumar 13 using the finite element method (FEM). The FEM-based three-phase model utilized to predict the tensile modulus of nanocomposite is shown in Figure 8.…”
Section: Validationmentioning
confidence: 87%
“…To validate the MD procedure employed in the present study to evaluate the tensile and shear moduli of GS-reinforced Al nanocomposite, the obtained elastic modulus for pure Al is compared with the result reported by Rong et al. 36 Along with pure Al, the tensile elastic modulus of GS-reinforced Al nanocomposite is also predicted by the approach developed by Srivastava and Kumar 13 using the finite element method (FEM). The FEM-based three-phase model utilized to predict the tensile modulus of nanocomposite is shown in Figure 8 Figure 8. Continuum mechanics-based three-phase model to study the effect of interphase on the elastic properties of GS-reinforced Al nanocomposite proposed by Srivastava and Kumar 13 ( v f = 12.9%)..…”
In this article, the elastic and shear moduli of the graphene sheet-reinforced aluminum nanocomposite have been investigated by molecular dynamics simulations. Different models have been simulated to study the effect of multilayer graphene sheet, perforation of GS, and temperature on the elastic and shear moduli of resulting nanocomposite. The simulation results show that the elastic and shear moduli of graphene sheet-reinforced aluminum are sensitive to the temperature changes, multilayer, and perforated graphene sheets. The temperature and perforation of graphene sheets exert adverse effects on the elastic and shear moduli of graphene sheet-reinforced aluminum nanocomposites. However, the multilayer graphene sheet leads to favorable effects on the stiffness properties of the nanocomposite. It is also observed that there is only a marginal effect of the chirality of graphene sheet on the out-of-plane shear moduli of the nanocomposite.
Composite materials have become popular because of high mechanical properties and lightweight. Aluminum/carbon nanotube is one of the most important metal composite. In this research, mechanical properties of aluminum/carbon nanotube composite were obtained using molecular dynamics simulation. Then, effect of temperature on stress–strain curve of composite was studied. The results showed by increasing temperature, the Young’s modulus of composite was decreased. More specifically increasing the temperature from 150 K to 620 K, decrease the Young’s modulus to 11.7%. The ultimate stress of composite also decreased by increasing the temperature. A continuum model of composite was presented using finite element method. The results showed the role of carbon nanotube on strengthening of composite.
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