Related papers: Dynamics on Multiple Potential Energy Surfaces: Qu…
Modeling quantum thermal machines provides a practical approach to describing the thermodynamic properties of quantum technologies and devices. For this purpose, power-law potentials are often employed as working mediums of quantum…
Current quantum simulation experiments are starting to explore non-equilibrium many-body dynamics in previously inaccessible regimes in terms of system sizes and time scales. Therefore, the question emerges which observables are best suited…
A computer simulation has to be fast to be helpful, if it is employed to study the behavior of a multicomponent dynamic system. This paper discusses modeling concepts and algorithmic techniques useful for creating such fast simulations.…
Simulation results are presented to demonstrate electron temperature and electrical potential development in dilute and cold plasma development. The simulation method is a hybrid method which adopted fluid model for electrons due to their…
The numerical solutions of nonlocal and local Boltzmann kinetic equations for the simulation of central heavy ion reactions are parameterized in terms of time dependent thermodynamical variables in the Fermi liquid sense. This allows one to…
An analysis of the network defined by the potential energy minima of multi-atomic systems and their connectivity via reaction pathways that go through transition states allows to understand important characteristics like thermodynamic,…
A new potential energy surface for the electronic ground state of the simplest triatomic anion H3- is determined for a large number of geometries. Its accuracy is improved at short and large distances compared to previous studies. The…
The title reaction is studied using a quasi-classical trajectory method for collision energies between 0.1 meV and 10 eV, considering the vibrational excitation of H$_2^+$ reactant. A new potential energy surface is developed based on a…
This article covers thermodynamic, dynamic, and kinetic models that are suitable for the analysis of wetting, adsorption, and related interfacial phenomena in colloidal and multiphase systems. Particular emphasis is made on describing…
A quantum system in contact with a heat bath undergoes quantum transitions between energy levels upon absorption or emission of energy quanta by the bath. These transitions remain virtual unless the energy of the system is measured…
This article explores the excitation of different vibrational states in a spatially extended dynamical system through theory and experiment. As a prototypical example, we consider a one-dimensional packing of spherical particles (a…
This research employs the Kraus representation and Sz.-Nagy dilation theorem to model a three-level quantum heat on quantum circuits, investigating its dynamic evolution and thermodynamic performance. The feasibility of the dynamic model is…
The influence of high-enthalpy effects on hypersonic turbulent boundary layers is investigated by means of direct numerical simulations (DNS). A quasi-adiabatic flat-plate air flow at free-stream Mach number equal to 10 is simulated up to…
Lack of knowledge about the detailed many-particle motion on the microscopic scale is a key issue in any theoretical description of a macroscopic experiment. For systems at or close to thermal equilibrium, statistical mechanics provides a…
The physical processes at the interface of a low-temperature plasma and a solid are extremely complex. They involve a huge number of elementary processes in the plasma, in the solid as well as charge, momentum and energy transfer across the…
An examination of thermal models leads to the important signature of the expected critical behavior of the hadronic matter. A presentation is mainly devoted to the final volume effects. Canonical suppression factor are calculated.
We study the non-equilibrium thermodynamics of a single particle with two available energy levels, in contact with a classical (Maxwell-Boltzmann) or quantum (Bose-Einstein) heat bath. The particle can undergo transitions between the levels…
The dynamics of the C($^{3}$P) + O$_{2}$($^3\Sigma_{g}^{-}$) $\rightarrow$ CO($^{1}\Sigma^{+}$)+ O($^{1}$D) reaction on its electronic ground state is investigated by using time-dependent wave packet propagation (TDWP) and quasi-classical…
The system of three ${}^4\mathrm{He}$ atoms with realistic interactions is studied in the momentum-space framework. It is demonstrated that short and long-range difficulties encountered in the coordinate-space calculations can be reliably…
Vibrational dynamics of adsorbates near surfaces plays both an important role for applied surface science and as model lab for studying fundamental problems of open quantum systems. We employ a previously developed model for the relaxation…