… In order to generate the interface we have employed nonequilibrium molecular-dynamics
simulations. A description of the methodology is provided in the next section. Here we …

… We simulate the flow with chemical reactions of NRP at different conditions, namely, the
nonequilibrium boundary conditions for all 4 components and for different values of the energy …

… is used to simulate the nonequilibrium distributions for nonlinear kinetic systems. This …
yet it yields both the phenomenological rate constants and the nonequilibrium internal-state …

… -square displacement we used a nonequilibrium technique that applies a fictitious external
field selectively to the gas molecules. To our knowledge, nonequilibrium MD is, for the first …

… The numerical simulations are in quantitative agreement with the kinetic wave theory, … We
realized numerical simulations of the 3D normalized NLS Eq.(1) in a cubic box of 64 3 points …

… and taking into account the effect of radicals (the assumption … with (ii) and the non-equilibrium
effect of radicals. As a result, … Our numerical simulation showed that this effect is related to …

… The work represents a ramified kinetic scheme of plasma chemical processes in a non-equilibrium
hydrogen plasma that allows one to model in detail the dynamics of an electric …

… simulations are … Kinetic theory and nonequilibrium statistical mechanics provide the adequate
framework to address these issues. The present work deals with the formulation of a kinetic …

… and TSRD models to simulated breakthrough data of hypothetical … fitted single-rate
nonequilibrium model parameters depend upon … sorption kinetics. In addition, for such systems, …

… non-equilibrium thermodynamic calculations to kinetic rates of hydrate dissociation and
reformation. A non-equilibrium … only hydrate simulator which includes criteria for non-equilibrium …