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On the limitations of the DFT plus U approach to energetics of actinides
(Elsevier Science BV, 2012)Scalar-relativistic density functional theory calculations are performed on three phases of Np within the framework of LSDA+U approach. Material properties examined include lattice parameters, atomic volumes, bulk modulus, ... -
Thermal conductivity of BN-C nanostructures
(Amer Physical Soc, 2012)Chemical and structural diversity present in hexagonal boron nitride (h-BN) and graphene hybrid nanostructures provide avenues for tuning various properties for their technological applications. In this paper we investigate ...