Related papers: Effects of Isotope Substitution on Local Heating a…
We propose a model for a molecular junction with internal anharmonic torsional vibrations interacting with an electric current. The Wangsness-Bloch-Redfield master equation approach is used to determine the stationary reduced density matrix…
We consider a degenerate Bose gas confined in a double-well potential in interaction with a trapped ion in one dimension and investigate the impact of two relevant sources of imperfections in experiments on the system dynamics: ion motion…
Correlations between electrons and the effective dimensionality are crucial factors that shape the properties of an interacting electron system. For example, the onsite Coulomb repulsion, U, may inhibit, or completely block the intersite…
We analyze the dynamics of a nanomechanical oscillator coupled to an electrical tunnel junction with an arbitrary voltage applied to the junction and arbitrary temperature of electrons in leads. We obtain the explicit expressions for the…
Quantum reactive scattering calculations for the hydrogen exchange reaction H + H$_2$($v=4$, $j=0$) $\to$ H + H$_2$($v'$, $j'$) and its isotopic analogues are reported for ultracold collision energies. Due to the unique properties…
We study heat exchange in temperature-biased metal-molecule-metal molecular junctions by employing the LAMMPS atomic molecular dynamics simulator. Generating the nonequilibrium steady state with Langevin thermostats at the boundaries of the…
We measure the low bias conductance of a series of substituted benzene diamine molecules while breaking a gold point contact in a solution of the molecules. Transport through these substituted benzenes is by means of nonresonant tunneling…
Using conceptually and procedurally consistent density functional theory (DFT) calculations with an advanced meta-GGA exchange-correlation functional in ab initio molecular dynamics simulations, we determine the insulator-metal transition…
The low-temperature (up to about 100K) collisional (de)excitation cross sections are computed using the full coupled-channel (CC) quantum dynamics for both Li$_2$ and Li$_2^+$ molecular targets in collision with $^4$He. The interaction…
We study the model of a molecular switch comprised of a molecule with a soft vibrational degree of freedom coupled to metallic leads. In the presence of strong electron-ion interaction, different charge states of the molecule correspond to…
The evolution equation for inhomogeneous and anisotropic temperature fluctuations inside a medium is derived within the ambit of Boltzmann Transport Equation. Also, taking some existing realistic inputs we have analyzed the Fourier space…
A scattering resonance is one of the most striking quantum effects in low-temperature molecular collisions. Predicted decades ago theoretically, they have only been resolved experimentally for systems involving at most four atoms. Extension…
A two-dimensional fluid model is used to investigate the electron heating dynamics and the production of neutral species in a capacitively coupled radio-frequency micro atmospheric pressure helium plasma jet -- specifically the COST jet --…
The nonrelativistic energy together with relativistic and quantum electrodynamic corrections for all the molecular hydrogen isotopologues (D$_2$, T$_2$, HD, HT, DT) were evaluated without expansion in the electron-nucleus mass ratio. The…
Embedded in an ohmic environment, the Josephson current peak can transfer part of its weight to finite voltage and the junction becomes resistive. The dissipative environment can even suppress the superconducting effect of the junction via…
The influence of molecular vibrations on dissociative adsorption is studied by six-dimensional quantum dynamical calculations. For the system H_2 at Pd(100), which possesses non-activated pathways, it is shown that large vibrational effects…
Intercalation of polyatomic molecules into a superconductor can drastically affect the properties of the compound. A mechanism leading to a large increase in Tc for such systems is proposed. It explains the recent remarkable observation of…
A study of the role of microinstabilities at the reconnection separatrix can play in heating the electrons during the transition from inflow to outflow is being presented. We find that very strong flow shears at the separatrix layer lead to…
We study the effect of the formation and screening of local magnetic moments on the temperature- and interaction dependencies of spectral functions and resistivity in the vicinity of the metal-insulator transition. We use the dynamical…
We use density functional molecular dynamics (DFT-MD) to study the effect of finite temperature exchange-correlation (xc) in Hydrogen. Using the Kohn-Sham approach, the xc energy of the system, $E_{xc}(r_{s})$ is replaced by the xc free…