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Thermal conductivity of one-, two- and three-dimensional carbon
Luiz Felipe C. Pereira, Ivana Savić, Davide Donadio
Carbon atoms can form structures in one, two, and three dimensions due to its unique chemical versatility. In terms of thermal conductivity, carbon polymorphs cover a wide range fr…
Monte Carlo adaptive resolution simulation of multicomponent molecular liquids
Raffaello Potestio, Pep Español, Rafael Delgado-Buscalioni +3
Complex soft matter systems can be efficiently studied with the help of adaptive resolution simulation methods, concurrently employing two levels of resolution in different regions…
Divergence of the Thermal Conductivity in Uniaxially Strained Graphene
Luiz Felipe C. Pereira, Davide Donadio
We investigate the effect of strain and isotopic disorder on thermal transport in suspended graphene by equilibrium molecular dynamics simulations. We show that the thermal conduct…