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Morphology of graphene flakes in Ni-graphene nanocomposites and its\n influence on hardness: an atomistic study

2021/08/04 by Vardan Hoviki Vardanyan, Vardanyan, Vardan Hoviki, Herbert M. Urbassek +1
Engineering · Materials Science · #Aluminum Alloys Composites Properties #Computational Physics (physics.comp-ph) #FOS: Physical sciences #Graphene research and applications #Materials Science (cond-mat.mtrl-sci) #Microstructure and mechanical properties

paper · pdf · doi:10.48550/arxiv.2108.02192

openalex publication_date 2021/08/04 · openalex created_date 2022/07/25 · openalex updated_date 2026/07/28

Abstract

The effect of graphene flakes on the strength of Ni-graphene composites is\ninvestigated using molecular dynamics simulation. Rather than introducing\nflakes as flat structures into the Ni matrix, as it is common in available\nstudies, we introduce them into the heated liquid Ni and let the structures\nequilibrate in a 14-ns molecular-dynamics run; these structures are then\nquenched to obtain the composites. By varying the interaction of flake edge\natoms with the Ni matrix, two different flake morphologies -- wrinkled vs flat\n-- are obtained. The mechanical properties, and in particular the composite\nhardness, are investigated by a simulated nanoindentation test. The flake\nmorphology affects the plastic activity and the hardness of the composites.\nWrinkled flakes show a higher potential in absorbing dislocations than flat\nflakes, resulting in a considerably reduced hardness of the composite. No\neffect of the changed interaction between graphene edge atoms and the Ni matrix\non the dislocation activity and hardness could be observed. Furthermore, we\ndemonstrate that a high graphene content in the plastic zone leads to an\nincreased dislocation absorption and weakens the composite.\n

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