Related papers: Quantum and classical dynamics of methane scatteri…
Quantum mechanical scattering theory is studied for time-dependent Schroedinger operators, in particular for particles in a rotating potential. Under various assumptions about the decay rate at infinity we show uniform boundedness in time…
We propose a modification of the embedded-atom method-type potential aiming at reconciling simulated melting and ground-state properties of metals by means of classical molecular dynamics. Considering titanium, magnesium, gold, and platinum…
We present a rigorous study of vibrational relaxation in p-H2 + p-H2 collisions at cold and ultracold temperatures and identify an efficient mechanism of ro-vibrational energy transfer. If the colliding molecules are in different rotational…
Numerical MHD simulations play increasingly important role for understanding mechanisms of stellar magnetism. We present simulations of convection and dynamos in density-stratified rotating spherical fluid shells. We employ a new 3D…
This work presents a numerical study of a diffusion flame in a reacting, two-dimensional, turbulent, viscous, multi-component, compressible mixing layer subject to a large favorable streamwise pressure gradient. The boundary-layer equations…
Two dimensional transition metal dichalcogenides appear as good candidates for gas sensing and catalysis. Here, by means of density functional theory, we characterize the adsorption and dissociation of selected diatomic molecules (CO,…
The first goal of Vibration-Transit (V-T) theory was to construct a tractable approximate Hamiltonian from which the equilibrium thermodynamic properties of monatomic liquids can be calculated. The Hamiltonian for vibrations in an…
The prototypical $\alpha\to\omega$ phase transition in zirconium is an ideal test-bed for our understanding of polymorphism under extreme loading conditions. After half a century of study, a consensus had emerged that the transition is…
We present the experimental observation of the reduction of multiple scattering of high-energy positively charged particles during channeling in single crystals. According to our measurements the rms angle of multiple scattering in the…
We investigate classical scattering off a harmonically oscillating target in two spatial dimensions. The shape of the scatterer is assumed to have a boundary which is locally convex at any point and does not support the presence of any…
In discrete energy structure of nanoscale magnets, nonadiabatic transitions at avoided level crossings lead to fundamental processes of dynamics of magnetizations. The thermal environment causes dissipative effects on these processes. In…
We study the translational motions of homonuclear diatomic molecules prepared in their ${}^3\Sigma$ electronic states, deeply bound vibrational states, and rotational states of well-defined parity. The trapping potential arises due to the…
Streamer discharges can be used as a primary source of reactive species for plasma-assisted combustion. In this research we investigate positive streamers in a stoichiometric air-methane mixture at 1 bar and 300 K with a three-dimensional…
Isolated hydrogen, deuterium, and muonium in diamond have been studied by path-integral molecular dynamics simulations in the canonical ensemble. Finite-temperature properties of these point defects were analyzed in the range from 100 to…
The (d,p) neutron transfer and (d,d) elastic scattering reactions were measured in inverse kinematics using a radioactive ion beam of 132Sn at 630 MeV. The elastic scattering data were taken in a region where Rutherford scattering dominated…
The real and imaginary part of the quartet S wave phase shift in nd scattering (^4 S_{3/2}) for centre-of-mass momenta of up to 300 MeV (E_cm \approx 70 MeV) is presented in effective field theory, using both perturbative pions and a theory…
A microscopic model for thermal excitation of vibrational ground state of a molecule interacting with a condensed medium is developed. The master equation for evolution of occupancies of the vibrational levels is derived. The rate constant…
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 present high-resolution inelastic neutron scattering experiment on ice XVII, containing molecular hydrogen with different ortho/para ratio, allows to assign the H$_2$ motion spectral bands to rotational and center-of-mass translational…
We present experimental results on the ionization/dissociation of methane in femtosecond pulses of radiation. Angular and intensity dependent yields of singly and doubly charged species were measured using an imaging mass spectrometer. The…