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We theoretically investigate heat transport in hybrid normal metal-superconductor (NS) nanojunctions focusing on the effect of thermal rectification. We show that the heat diode effect in the junction strongly depends on the transmissivity…
The interaction of hydrogen with many transition metal surfaces is characterized by a coexistence of activated with non-activated paths to adsorption with a broad distribution of barrier heights. By performing six-dimensional quantum…
The intermetallic compound ZrCo and its hydrides are important materials for their use in hydrogen isotope storage. The dynamical, thermodynamic and elastic properties of ZrCo and its hydrides ZrCoX3 (X= H, D and T) are reported. While the…
The influence of hypothetical new interactions beyond the Standard Model on atomic spectra has attracted recent interest. In the present work, interelectronic photon-exchange corrections and radiative quantum electrodynamic corrections to…
Hybrid ion-atom systems provide an excellent platform for studies of state-resolved quantum chemistry at low temperatures, where quantum effects may be prevalent. Here we study theoretically the process of vibrational relaxation of an…
We investigate the role of local heating and forces on ions in the stability of current-carrying aluminum wires. We find that heating increases with wire length due to a red shift of the frequency spectrum. Nevertheless, the local…
Understanding energy transport at the nanoscale is an open and fundamental challenge in the molecular sciences with direct implications for the design of new electronics, computing devices, and materials. While nanoscale energy transport…
Mesoscopic superconducting-normal-metal-superconducting (S-N-S) junctions with a large separation between the superconducting electrodes (i.e. wide junctions) exhibit nonequilibrium supercurrents, even at temperatures for which the…
The currently available results of the isotope effect on the superconducting transition temperature T_c in Fe-based high-temperature superconductors (HTS) are highly controversial. The values of the Fe isotope effect (Fe-IE) exponent…
Two different ab initio potential energy surfaces are employed to investigate the efficiency of the rotational excitation channels for the polar molecular ion HeH$^+$ interacting with He atoms. We further use them to investigate the quantum…
The electron current density in nanoscale junctions is typically several orders of magnitude larger than the corresponding one in bulk electrodes. Consequently, the electron-electron scattering rate increases substantially in the junction.…
We investigate the effect of electron-phonon inelastic scattering on shot noise in nanoscale junctions in the regime of quasi-ballistic transport. We predict that when the local temperature of the junction is larger than its lowest…
We have investigated the effect of thermal fluctuation on the interlayer coupling of three-dimensional Josephson-junction arrays with anisotropic interactions as a model of layered high-$T_c$ oxides, focusing on non-Ohmic current-voltage…
We propose a novel explanation for the dilepton excess observed in heavy ion collisions at invariant masses below 1 GeV. We argue that the presence of local parity breaking due to a time-dependent isosinglet and/or isotriplet pseudoscalar…
Using first-principles molecular dynamics, we study the influence of nuclear quantum effects (NQEs) and nonlocal exchange--correlation density functionals (DFs) near molecular dissociation in liquid hydrogen. NQEs strongly influence…
The vibrational frequency of hydrogen molecules has been observed to increase strongly with He concentration in helium hydrogen fluid mixtures. This has been associated with He-H interactions, either directly through chemical bonding, or…
Non-monotonous changes in velocity autocorrelations across the transformation from molecular to atomic fluid in hydrogen under pressure are studied by ab initio molecular dynamics simulations at the temperature 2500 K. We report diffusion…
Angular scattering in charge exchange and elastic collisions between interstellar ions and neutral (ISN) atoms has been assumed to be negligible in previous studies. Here, we investigated the momentum transfer associated with the angular…
The physical nature of a frequency shift of hydrogen valence vibrations in a water molecule due to its interaction with neighbor molecules has been studied. Electrostatic forces connected with the multipole moments of molecules are supposed…
Rate theory and DFT calculations of hydrogen evolution reaction (HER) on MoS2 with Co, Ni and Pt impurities show the significance of dihydrogen (H2*) complex where both hydrogen atoms are interacting with the surface. Stabilization of such…