Nanoparticles Surface Energy Effect on Mechanical Properties and Microscopic Deformation of 3D Heterogeneous Nanostructures

MB Khan and MM Azeem and MQ Zafar and G Hussain, NANO, 18, 2350053 (2023).

DOI: 10.1142/S1793292023500534

Nanoparticle-contained graphene foam material has attracted many practical applications in recent years, which require an in-depth comprehension of the basic mechanics of these heterogenous materials. In this paper, the effect of nanoparticles surface energy on the mechanical properties of nanoparticle-filled graphene foam under uniaxial tension and compression is systematically studied by the coarse-grained molecular dynamics simulation method. The mechanical strength of these nanoparticle-filled graphene foam is directly influenced by tuning the nanoparticles surface energy. The varying peeling-off behaviors of graphene sheets influenced by the surface energy of nanoparticles are observed. The stress distribution under uniaxial compression and tension at different nanoparticles surface energy is also studied. The mechanical behavior of nanoparticle-filled graphene foam is directly dependent on nanoparticles surface energy. The results should be helpful not only to understand the micro mechanism of such nanomaterials, but also to the design of advanced composites and devices based on porous materials mixed with particles.

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