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.

近年来，含纳米粒子的石墨烯泡沫材料吸引了许多实际应用，这需要深入理解这些异质材料的基本力学。本文采用粗粒分子动力学模拟方法，系统研究了纳米颗粒表面能对纳米颗粒填充石墨烯泡沫单轴拉伸和压缩力学性能的影响。这些纳米粒子填充的石墨烯泡沫的机械强度直接受到纳米粒子表面能调节的影响。观察到受纳米颗粒表面能影响的石墨烯片的不同剥离行为。还研究了不同纳米粒子表面能下单轴压缩和拉伸下的应力分布。纳米粒子填充的石墨烯泡沫的机械行为直接取决于纳米粒子的表面能。研究结果不仅有助于理解此类纳米材料的微观机理，而且有助于基于与颗粒混合的多孔材料的先进复合材料和器件的设计。