Ara
Toplam kayıt 2, listelenen: 1-2
NPT simulation and hypernetted-chain calculations of SrCl 2
(2013)
Transition to fast-ion conducting phase and liquid phase of SrCl2 was investigated the molecular dynamics simulation in constant pressure-temperature ensemble (NPT) and hypernetted-chain theory using the fully ionic rigid ...
Modified Li Chains As Atomic Switches
(2013-09-06)
We present electronic structure and transport calculations for hydrogen and lithium chains, using density functional theory and scattering theory on the Green’s function level, to systematically study impurity effects ...