Related papers: Thermal ignition revisited with two-dimensional mo…
The present study addresses the role of molecular non-equilibrium effects in thermal ignition problems. We consider a single binary reaction of the form A+B -> C+C. Molecular dynamics calculations were performed for activation energies…
The Zeroth Law of Thermodynamics states that if two systems are in thermal equilibrium with a third one, then they are also in equilibrium with each other. This study explores not only the final state of thermal equilibrium between ideal…
We investigate the behavior of energy fluctuations in several models of granular gases maintained in a non-equilibrium steady state. In the case of a gas heated from a boundary, the inhomogeneities of the system play a predominant role.…
Using very long molecular dynamics simulation runs, temperature protocols spanning up to five orders of magnitude in time-scales are performed to investigate thermally activated structural relaxation in a model amorphous solid. The…
We compare dynamical heterogeneities in equilibrated supercooled liquids and in the nonequilibrium glassy state within the framework of the random first order transition theory. Fluctuating mobility generation and transport in the glass are…
Flame propagation through a non-volatile solid-fuel suspension is studied using a simplified, time-dependent numerical model that considers the influence of both diffusional and kinetic rates on the particle combustion process. It is…
Theory and computations have established that thermodynamic gradients created by hot spots in reactive gas mixtures can lead to spontaneous detonation initiation. However, the current laminar theory of the temperature-gradient mechanism for…
Under natural conditions, excitation of biological molecules, which display non-unitary open system dynamics, occurs via incoherent processes such as temperature changes or irradiation by sunlight/moonlight. The dynamics of such processes…
In this paper we consider ignition-temperature, first-order reaction model of thermo-diffusive combustion that describes dynamics of thick flames arising in a theory of combustion of hydrogen-oxygen and ethylene-oxygen mixtures. These…
We introduce the idea of weakly coherent collisional models, where the elements of an environment interacting with a system of interest are prepared in states that are approximately thermal, but have an amount of coherence proportional to a…
We develop a numerical method to study the dynamics of a two-component atomic Fermi gas trapped inside a harmonic potential at temperature T well below the Fermi temperature Tf. We examine the transition from the collisionless to the…
When applied to binary solutions, thermal gradients lead to the generation of concentration-gradients and thus to inhomogeneous systems. While being known for more than 150 years, the molecular origins for this phenomenon are still debated,…
We study the stationary dynamics of an active interacting Brownian particle system. We measure the violations of the fluctuation dissipation theorem, and the corresponding effective temperature, in a locally resolved way. Quite naturally,…
We study the low-energy collective oscillations of a dilute Bose gas at finite temperature in the collisionless regime. By using a time-dependent mean-field scheme we derive for the dynamics of the condensate and noncondensate components a…
Hydrogen combustion systems operated under fuel-lean conditions offer great potential for low emissions. However, these operating conditions are also susceptible to intrinsic thermodiffusive combustion instabilities. Even though technical…
Novel physical mechanism is proposed for explanation of temperature-independent transition reactions in molecular systems. The mechanism becomes effective in the case of conformation transitions between quasi-isoenergetic molecular states.…
When a sphere of one reactant is placed in the medium of another reactant with which it is hypergolic, a chemical reaction (modeled here as a zeroth-order one-step irreversible Arrhenius reaction) occurs at the common interface of the two…
Fluctuation theorems are fundamental extensions of the second law of thermodynamics for small nonequilibrium systems. While work and heat are equally important forms of energy exchange, fluctuation relations have not been experimentally…
Collision models provide a simple and versatile setting to capture the dynamics of open quantum systems. The standard approach to thermalisition in this setting involves an environment of independent and identically-prepared thermal qubits,…
The origin of bimodal behavior in the residue distribution experimentally measured in heavy ion reactions is reexamined using Boltzmann-Uehling-Uhlenbeck simulations. We suggest that, depending on the incident energy and impact parameter of…