Computational Materials Science ( IF 2.863 ) Pub Date : 2019-12-28 , DOI: 10.1016/j.commatsci.2019.109497 Sigitas Kilikevičius; Saulė Kvietkaitė; Kristina Žukienė; Mária Omastová; Andrey Aniskevich; Daiva Zeleniakienė
This paper presents a numerical investigation of the elastic properties of a novel hybrid polymer composite reinforced with graphene and MXene nanosheets. A finite element computational model was developed to analyze the mechanical properties of a new polymer hybrid composite reinforced with MXene and graphene taking into account the properties of the 2D nanosheets, different aspect ratios, placement options and volume fractions of nanoreinforcements, as well as the interaction effects between the nanofillers and the surrounding polymer matrix. Using the developed numerical model, the influences of the interface layer properties, MXene and graphene aspect ratio, alignment and volume fraction on the orthotropic mechanical properties of the proposed novel hybrid polymer nanocomposites were determined. The results suggest that MXenes along with graphene nanosheets show considerable promise in the development of novel nanoengineered high-strength multifunctional composite materials, as well as provides insight for future design of such materials.