Modeling and simulations of nanofluids using classical molecular dynamics: Particle size and temperature effects on thermal conductivity

Recent advances on the fundamental physical phenomena behind stability, dynamic motion, thermophysical properties, heat transport, applications, and challenges of nanofluids

“…Rudyak et al [484] also used the MD simulation by considering the particle radius and weight. Achhal and Jabraoui et al [485] used the Green-Kubo function to estimate the knf for Cu/Ar nanofluids. Javanmardi and Jafarpur [486] implemented MD method for SWCNT/water nanofluid, Mohebbi et al [487] also considered the same approach of MD techniques to evaluate the knf and obtained improved thermal conductivity.…”

Can graphene improve the thermal conductivity of copper nanofluids?

“…The results (Table S3, ESI†) indicate that the κ for these models is in an acceptable margin compared to the experimental value of 0.132 W m −1 K −1 93 and compared with theoretical calculations. 94 Similar simulations were performed for infinite graphene of one, two and three layers. The results are presented in Fig.…”

Structure–Elasticity Relationship of Potassium Silicate Glasses from Brillouin Light Scattering Spectroscopy and Molecular Dynamics Simulations

“…These results show a very good agreement between the two curves, with a difference of 2.2% between calculated and experimental values. This difference is partly due to the fact that calculation simulates a quench which is different from reality, where the speed is of the order of 1000 K/s at the surface between 1800 and 800 K, and where the heat evacuation, which depends on the thermal conductivity of the medium, takes place in a nonhomogeneous manner through the surface, rather than in the reagent volume. In this work, all structural analyses of simulated glasses were carried out using the OVITO package .…”