Evolution in aluminum applications by numerically-designed high strength boron-nitride/Al nanocomposites

P Sedigh and A Zare and A Montazeri, COMPUTATIONAL MATERIALS SCIENCE, 171, 109227 (2020).

DOI: 10.1016/j.commatsci.2019.109227

By and large, it is well established that development of various fields of science is influenced by manipulation of materials representing multiple amazing properties at the same time. In this regard, despite comparatively low mechanical properties of aluminum (Al), this metal is considered as one of the probable candidates for smart materials owing to its low density and good formability. In this paper, we have probed the mechanical properties of boron-nitride nanosheet (BNNS) and nanotube (BNNT) reinforced Al composites under uniaxial loading conditions. For this purpose, molecular dynamics simulation is utilized to explore the influence of nanofiller geometry on the mechanical characteristics of these nanocomposites through distinct representative volume elements. Afterward, temperature effect is inspected comprehensively in the case of BNNS/Al sample. Obtained results are supported by a fundamental study on the total energy of the system during tensile test simulation. Finally, mechanical features of defective BNNS/Al nanocomposites are thoroughly examined to find out the detrimental role of single and line vacancy defects from all aspects of concentration and arrangement. Altogether, it can be concluded that reinforcing role of BNNS is more favorable over BNNT in both terms of elastic constants and fracture toughness. In summary, it can be deduced that high specific mechanical properties of BN/Al nanocomposites along with their non-toxic behavior can contribute to designing and manufacturing of newly developed devices extensively used in the lightweight material industry.

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