2020
DOI: 10.1016/j.est.2020.101321
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Investigation of tetracosane thermal transport in presence of graphene and carbon nanotube fillers––A molecular dynamics study

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Cited by 30 publications
(11 citation statements)
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“…Tafrishi et al 84 investigated the influence of adding graphene and CNT to tetracosane paraffin (C 24 H 50 ). The PCFF force field for paraffin, Tersoff potential (1989) for graphene and CNT, 127 and Lenard-Jones potential for van der Waals's interaction between nanoparticles and alkanoic material were used.…”
Section: Background Overviewmentioning
confidence: 99%
“…Tafrishi et al 84 investigated the influence of adding graphene and CNT to tetracosane paraffin (C 24 H 50 ). The PCFF force field for paraffin, Tersoff potential (1989) for graphene and CNT, 127 and Lenard-Jones potential for van der Waals's interaction between nanoparticles and alkanoic material were used.…”
Section: Background Overviewmentioning
confidence: 99%
“…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.…”
Section: Introductionmentioning
confidence: 99%
“…In order to examine the anisotropy in thermal conductivity using the NEMD method, one must perform multiple simulations with a temperature gradient imposed in different directions. [28][29][30][31] Ideally, it is desirable to express thermal conductivity as a second-rank tensor and examine heat conduction in the principal directions. To this aim, the equilibrium MD (EMD) simulation based on the Green-Kubo formula is more suitable than the NEMD method because all components of the thermal conductivity tensor can be obtained in a single simulation run.…”
Section: Introductionmentioning
confidence: 99%
“…Graphene [1], which is a two dimensional (2D) monolayer with honeycomb form, has attracted many people from around the world due to excellent mechanical [2][3][4], high thermal conductivity [5][6][7][8], optical [9] and electronic properties [10]. Although graphene has amazing properties, there are some limitations in real application.…”
Section: Introductionmentioning
confidence: 99%