As-grown GaAs nanowires often possess high density of twin boundaries and stacking faults, which serve as scattering planes for electrons. Here, using density functional theory and Green’s function method, we demonstrate that the planar faults can significantly alter the transport properties depending on different planar defects and in-plane wavevector of the electronic state. Conductance eigen...

the radiation power loss from a magnetically confined plasma in a stellarator has been calculated using neoclassical particle and energy fluxes in an energy balance equation. we could obtain a power loss of about 34% of the total input power by numerical calculation. this fraction of the power loss has been found to be in good agreement with the experimentally measured values of 30-40% for our ...

Incorporating mixed oxygen-ion-electron conducting (MIEC) cathode materials is a promising strategy to make intermediate-temperature solid oxide fuel cells (IT-SOFCs) viable; however, a lack of fundamental understanding of oxygen transport in these materials limits their development. Density functional theory plus U (DFT+U) calculations are used to investigate how the Sr concentration affects t...

Electron-phonon coupling is a fundamental inelastic interaction in condensed matter and in molecules. Here we probe phonon excitations using quantum interference in electron transport occurring in short chains of anthraquinone based molecular junctions. By studying the dependence of molecular junction's conductance as a function of bias voltage and temperature, we show that inelastic scattering...

In this paper, longshore sediment transport in littoral zones is investigated. For investigation of sediment transport in the nearshore zone, the effects of waves, currents and topographical conditions of coast are considered. Linear wave theory was used for the investigation of the wave behaviour. Governing equations of littoral current are continuity and momentum ones. For calculating concent...

ground state geometries have been computed using density functional theory (dft) at b3lyp/6-31g(d,p) level of theory. the excitation energies and spectroscopic parameters have been computed using long range corrected (lc) hybrid functional by time dependent density functional theory (tddft) with lc-blyp level of theory. the polarizable continuum model (pcm) has been used for evaluating bulk sol...