Vacancies occur naturally in all crystalline materials. A vacancy is a point defect in a crystal in which an atom is removed at one of the lattice sites. The defect could be imported during the synthesis of the material or be added by defect engineering. In this paper by employing the density functional theory as […]
In this study, the fullerenes have inserted into water base-fluid to investigate the atomic and thermal behavior of nanofluid and hybridnanofluid as heat transfer fluid. This choice derives from low cast and high thermal stability of this nanostructure. Our computational results from Molecular Dynamics (MD) simulations indicate that the addition of nanoparticles with 4% atomic […]
In this study, the thermoelectric properties of the (6, 3) two sided-closed single-walled boron nitride nanotubes are investigated. To examine the effect of the impurity on the thermoelectric properties, carbon atom is replaced instead of boron and nitrogen atoms at the center, left and right the nanotube. The energy range is selected as -5.5 to […]
