“…MD simulation has been utilized to investigate the effect of molecular-scale factors on the thermal conductivity enhancement in paraffin/graphene composites, 10,12,25,[28][29][30] as well as other polymer/graphene composites. 5,18 Most of these MD studies dealt with a system where a single filler of SLG or MLG was embedded in a matrix or multiple SLGs were uniformly dispersed, 25 and therefore the aggregation of fillers except for simple stacking has not been fully discussed.…”