Search results for "Non-Equilibrium Thermodynamics"
showing 10 items of 122 documents
Transport coefficients of n-butane into and through the surface of silicalite-1 from non-equilibrium molecular dynamics study
2009
We have studied coupled heat and mass transfer of n-butane through a membrane of silicalite-1. A description of the surface was given using non-equilibrium thermodynamics, and transport coefficients were determined. Three independent coefficients were found for the whole surface: the resistance to heat transfer, the coupling coefficient and the resistance to mass transfer. These coefficients were defined in stationary state. All resistances are significant, and show that the surface acts as a barrier to transport. A new scheme was devised to find the enthalpy of adsorption, from two particular coupling coefficients, namely the measurable heats of transfer. The method yields the enthalpy of …
Activity mediated phase separation: Can we understand phase behavior of the nonequilibrium problem from an equilibrium approach?
2016
We present results for structure and dynamics of mixtures of active and passive particles, from molecular dynamics (MD) simulations and integral equation theory (IET) calculations, for a physically motivated model. The perfectly passive limit of the model corresponds to the phase-separating Asakura-Oosawa model for colloid-polymer mixtures in which, for the present study, the colloids are made self-propelling by introducing activity in accordance with the well known Vicsek model. Such activity facilitates phase separation further, as confirmed by our MD simulations and IET calculations. Depending upon the composition of active and passive particles, the diffusive motion of the active specie…
Static and dynamic screening effects in the electrostatic self-assembly of nano-particles.
2014
In the description of charge screening in the electrostatic self-assembly of nanoparticles (molecules) embedded into a polar solvent, the static screening effects (a contribution associated with the rapid spatial redistribution of small and highly mobile ions of a solvent) are traditionally treated phenomenologically, using the Yukawa short-range potential for describing the interaction between these particles. However, this model has a limited range of applicability being valid only for infinitely diluted systems and high salt concentrations. During a slow self-assembling process with nanoparticle formation, very dense structural elements (aggregates) are formed, in which the distances bet…
Disorder and interactions in systems out of equilibrium : the exact independent-particle picture from density functional theory
2017
Density functional theory (DFT) exploits an independent-particle-system construction to replicate the densities and current of an interacting system. This construction is used here to access the exact effective potential and bias of non-equilibrium systems with disorder and interactions. Our results show that interactions smoothen the effective disorder landscape, but do not necessarily increase the current, due to the competition of disorder screening and effective bias. This puts forward DFT as a diagnostic tool to understand disorder screening in a wide class of interacting disordered systems.
Thermal solitons in nanotubes
2022
Starting from a recent proposal of a nonlinear Maxwell-Cattaneo equation for the heat transport with relaxational effects at nanoscale, in a special case of thermal-wave propagation we derive a nonlinear Schrodinger equation for the amplitudes of the heatflux perturbation. The complete integrability of the obtained equation is investigated in order to prove the existence of infinite conservation laws, as well as the existence of infinite exact solutions. In this regards, we have considered the simplest nontrivial solutions, namely, the bright and dark (thermal) solitons, which may be interesting for energy transport and for information transmission in phononic circuits. (c) 2022 Elsevier B.…
Superfluid density in metastable 3He4He mixtures
1990
Abstract We havestudied superfluld 3He4He mixtures quenched into nonequilibrium states inside the miscibility gap by means of second sound . From the results for the second sound velocity we conclude that the superfluid density in the metastable state is well described by extrapolation from equilibrium values. The boundary of the metastable region, where nucleation processes set in rapidly, is reflected in a sharp increase of the second sound attenuation.
Nonequilibrium effective temperature of superfluid vortex tangle
2006
An effective nonequilibrium temperature in counterflow superfluid turbulence is proposed, as a parameter characterizing a canonical probability distribution function of vortex orientation, and relating the diffusion coefficient of vortex lines to the vortex friction through an Einstein relation.
Time propagation of the Kadanoff–Baym equations for inhomogeneous systems
2009
We have developed a time propagation scheme for the Kadanoff-Baym equations for general inhomogeneous systems. These equations describe the time evolution of the nonequilibrium Green function for interacting many-body systems in the presence of time-dependent external fields. The external fields are treated nonperturbatively whereas the many-body interactions are incorporated perturbatively using Phi-derivable self-energy approximations that guarantee the satisfaction of the macroscopic conservation laws of the system. These approximations are discussed in detail for the time-dependent Hartree-Fock, the second Born and the GW approximation.
Thermodynamic approach of supercontinuum generation
2009
International audience; This paper is aimed at providing an overview on recent theoretical and experimental works in which a thermodynamic description of the incoherent regime of supercontinuum generation has been formulated. On the basis of the wave turbulence theory, we show that this highly nonlinear and quasi-continuous-wave regime of supercontinuum generation is characterized by two different phenomena. (i) A process of optical wave thermalization ruled by the four-wave mixing effects: The spectral broadening inherent to supercontinuum generation is shown to result from the natural tendency of the optical field to reach its thermodynamic equilibrium state, i. e., the state of maximum n…
Nonlinear extended thermodynamics of a dilute nonviscous gas
2002
This paper deals with further developments of a nonlinear theory for a nonviscous gas in the presence of heat flux, which has been proposed in previous papers, using extended thermodynamics. The fundamental fields used are the density, the velocity, the internal energy density, and the heat flux. Using the Liu procedure, the constitutive theory is built up without approximations and the consistence of the model is showed: it is shown that the model is determined by the choice of three scalar functions which must satisfy a system of partial differential equations, which always has solutions. Different changes of field variables are carried out, using different Legendre transformations, passi…