Nonequilibrium Kinetic Theory Research Articles

Nonequilibrium Phonon Dynamics and Its Impact on the Thermal Conductivity of the Benchmark Thermoelectric Material SnSe.

Thermoelectric materials play a vital role in the pursuit of a sustainable energy system by allowing the conversion of waste heat to electric energy. Low thermal conductivity is essential to achieving high-efficiency conversion. The conductivity depends on an interplay between the phononic and electronic properties of the nonequilibrium state. Therefore, obtaining a comprehensive understanding of nonequilibrium dynamics of the electronic and phononic subsystems as well as their interactions is key for unlocking the microscopic mechanisms that ultimately govern thermal conductivity. A benchmark material that exhibits ultralow thermal conductivity is SnSe. We study the nonequilibrium phonon dynamics induced by an excited electron population using a framework combining ultrafast electron diffuse scattering and nonequilibrium kinetic theory. This in-depth approach provides a fundamental understanding of energy transfer in the spatiotemporal domain. Our analysis explains the dynamics leading to the observed low thermal conductivity, which we attribute to a mode-dependent tendency to nonconservative phonon scattering. The results offer a penetrating perspective on energy transport in condensed matter with far-reaching implications for rational design of advanced materials with tailored thermal properties.

Kinetics of Vapor-Solid Phase Transitions: Structure, Growth, and Mechanism.

The kinetics of the separation between low and high density phases in a single component Lennard-Jones model is studied via molecular dynamics simulations, at very low temperatures, in the space dimension d=2. For densities close to the vapor branch of the coexistence curve, disconnected nanoscale clusters of the high density phase exhibit essentially ballistic motion. Starting from nearly circular shapes, at the time of nucleation, these clusters grow via sticky collisions, gaining filamentlike nonequilibrium structure at a later time, with a very low fractal dimensionality. The origin of the latter is shown to lie in the low mobility of the constituent particles, in the corresponding cluster reference frame, due to the (quasi-long-range) crystalline order. Standard self-similarity in the domain pattern, typically observed in the kinetics of phase transitions, is found to be absent. This invalidates the common method, that provides a growth law comparable to that in solid mixtures, of quantifying growth. An appropriate alternative approach, involving the fractality, quantifies the growth of the characteristic "length" to be a power law with time, the exponent being strongly temperature dependent. The observed growth law is in agreement with the outcome of a nonequilibrium kinetic theory.

Nonequilibrium kinetic theory for trapped binary condensates

We derive a non-equilibrium finite-temperature kinetic theory for a binary mixture of two interacting atomic Bose-Einstein condensates and use it to explore the degree of hydrodynamicity attainable in realistic experimental geometries. Based on the standard separation of timescale argument of kinetic theory, the dynamics of the condensates of the multi-component system are shown to be described by dissipative Gross-Pitaevskii equations, self-consistently coupled to corresponding Quantum Boltzmann equations for the non-condensate atoms: on top of the usual mean field contributions, our scheme identifies a total of eight distinct collisional processes, whose dynamical interplay is expected to be responsible for the systems equilibration. In order to provide their first characterization, we perform a detailed numerical analysis of the role of trap frequency and geometry on collisional rates for experimentally accessible mixtures of $^{87}$Rb-$^{41}$K and $^{87}$Rb-$^{85}$Rb, discussing the extent to which the system may approach the hydrodynamic regime with regard to some of those processes, as a guide for future experimental investigations of ultracold Bose gas mixtures.

Two-dimensional nonlinear nonequilibrium kinetic theory under steady heat conduction

The two-dimensional steady-state Boltzmann equation for hard-disk molecules in the presence of a temperature gradient has been solved explicitly to second order in density and the temperature gradient. The two-dimensional equation of state and some physical quantities are calculated from it and compared with those for the two-dimensional steady-state Bhatnagar-Gross-Krook equation and information theory. We have found that the same kind of qualitative differences as the three-dimensional case among these theories still appear in the two-dimensional case.

Ground state correlations in a trapped quasi one-dimensional Bose gas

We review the basic concepts of a non-equilibrium kinetic theory of a trapped bosonic gas. By extending the successful mean-field concept of the Gross–Pitaevskii equation with the effects of non-local, two particle quantum correlations, one obtains a renormalized binary interaction and allows for the dynamic establishment of non-classical many-particle quantum correlations. These concepts are illustrated by self-consistent numerical calculations of the first- and second-order ground state quantum correlations of a harmonically trapped, quasi one-dimensional bosonic gas. We do find a strong suppression of the density fluctuations or, in other words, an enhanced number squeezing with decreasing particle density.

Dynamics of Relaxing Gases

Two very different theoretical tieatments of flowing or relaxing gases in near equilibrium. Both start with an account of the basic nonequilibrium kinetic theory, Bird complete with exercises.

Kinetic Theory Model for Ion Movement through Biological Membranes: I. Field-Dependent Conductances in the Presence of Solution Symmetry

A model for ion movement through specialized sites in the plasma membrane is presented and analyzed using techniques from nonequilibrium kinetic theory. It is assumed that ions traversing these specialized regions interact with membrane molecules through central conservative forces. The membrane molecules are approximated as massive spherical scattering centers so that ionic fractional energy losses per collision are much less than one. Equations for steady-state membrane ionic currents and conductances as functions of externally applied electric field strength are derived and numerically analyzed, under the restriction of identical solutions on each size of the membrane and constant electric fields within the membrane. The analysis is carried through for a number of idealized ion-membrane molecule central force interactions. For any interaction leading to a velocity-dependent ion-membrane molecule collision frequency, the membrane chord conductance is a function of the externally applied electric field. Interactions leading to a collision frequency that is an increasing (decreasing) function of ionic velocity are characterized by chord conductances that are decreasing (increasing) functions of field strength. For ion-neutral molecule interactions, the conductance is such a rapidly decreasing function of field strength that the slope conductance becomes negative for all field strengths above a certain value.