3 天前 - … A non-equilibrium thermodynamic framework is constructed to incorporate the kinetic
diffusion effect. … finite element suite and applied to simulate the responsive behaviors of 3D …

6 天前 - … Over the years, the direct simulation monte carlo method (DSMC) has emerged
as the … to model complex non-equilibrium effects in the flows such as non-equilibrium in the …

8 天前 - … The main aim is to estimate the evaporation coefficient using the simulation
results of our kinetic model. This coefficient is a key parameter in the formulation of boundary …

10 天前 - … new modification of a non-equilibrium effect in the k … non-equilibrium factors. The
supersonic compression ramp and supersonic base flows were simulated to analyze the effect …

14 天前 - … using the full hydrodynamic treatment: for bilayers we use non-equilibrium
simulations to extract the interleaflet friction parameter used in the correction; whereas monolayer …

20 天前 - … drive for a large-scale system, we ran both equilibrium and nonequilibrium
simulations of 100 patchy particles (Section S7 in the SI). The particles were modeled with PHS …

24 天前 - … the kinetic promotion of non-equilibrium excitation in the … reaction kinetics on the
oxidative pyrolysis of ammonia. … have carried out global reaction kinetics simulation studies and …

25 天前 - … Protocols for Nonequilibrium Simulations We first conduct equilibrium simulations
to … of the nanogels before proceeding to nonequilibrium kinetic simulations of collapse and …

29 天前 - … In the simulations, polymers are modeled within a highly coarse-grained model with
… dynamics (MD) simulations is generated by reverse nonequilibrium molecular dynamics …

44 天前 - … effects and interface. Therefore, future studies need to explore the superlattice
non-equilibrium … which is affected by the phonon non-equilibrium and ballistic effect, the phonon …