Search results for "non-equilibrium thermodynamics"
showing 10 items of 122 documents
Time-dependent resonance interaction energy between two entangled atoms under nonequilibrium conditions
2018
We consider the time-dependent resonance interaction energy between two identical atoms, one in the ground state and the other in an excited state, and interacting with the vacuum electromagnetic field, during a nonequilibrium situation such as the dynamical atomic self-dressing process. We suppose the two atoms prepared in a correlated, symmetric or antisymmetric, state. Since the atoms start from a nonequilibrium conditions, their interaction energy is time dependent. We obtain, at second order in the atom-field coupling, an analytic expression for the time-dependent resonance interaction energy between the atoms. We show that this interaction vanishes when the two atoms are outside the l…
Thermodynamics of a small system in a μT reservoir
2011
Abstract Due to advances in experimental techniques operating at the nanoscale, it is possible to compute properties from density fluctuations by studying ‘snapshots’ of particle configurations. Thermodynamics on a small scale is different from thermodynamics in bulk systems. We show how the molar enthalpy h and the inverse thermodynamic correction factor Γ - 1 depend on system size and how these properties can be computed from fluctuations at the nanoscale. We find a 1/ L finite size effect for all thermodynamic quantities for a small system in contact with a reservoir, where L is the length of the system in a single dimension.
Nonequilibrium thermodynamics of the RNA-RNA interaction underlying a genetic transposition program
2021
Thermodynamic descriptions are powerful tools to formally study complex gene expression programs evolved in living cells on the basis of macromolecular interactions. While transcriptional regulations are often modeled in the equilibrium, other interactions that occur in the cell follow a more complex pattern. Here, we adopt a nonequilibrium thermodynamic scheme to explain the RNA-RNA interaction underlying IS10 transposition. We determine the energy landscape associated with such an interaction at the base-pair resolution, and we present an original scaling law for expression prediction that depends on different free energies characterizing that landscape. Then, we show that massive experim…
Non-equilibrium thermodynamics, heat transport and thermal waves in laminar and turbulent superfluid helium
2018
This review paper puts together some results concerning non equilibrium thermodynamics and heat transport properties of superfluid He II. A one-fluid extended model of superfluid helium, which considers heat flux as an additional independent variable, is presented, its microscopic bases are analyzed, and compared with the well known two-fluid model. In laminar situations, the fundamental fields are density, velocity, absolute temperature, and heat flux. Such a theory is able to describe the thermomechanical phenomena, the propagation of two sounds in liquid helium, and of fourth sound in superleak. It also leads in a natural way to a two-fluid model on purely macroscopical grounds and allow…
Intramolecular proton transfer of serine in aqueous solution. Mechanism and energetics
2000
Serine amino acid in aqueous solution is theoretically studied at the B3PW91/6-31+G** level using a dielectric continuum solvent model. Neutral and zwitterionic structures in the gas phase and in solution are described and the proton-transfer mechanism is discussed. A neutral conformation in which the carboxyl hydrogen atom is already oriented toward the amino group seems to be the absolute energy minimum in the gas phase and the most stable neutral form in solution. The absolute energy minimum in solution is a zwitterionic form. The energy barrier for proton transfer is predicted to be very small, in particular when zero-point-energy contributions are added. Our calculations allow the dyna…
Non-Equilibrium Markov State Modeling of the Globule-Stretch Transition
2016
We describe a systematic approach to construct coarse-grained Markov state models from molecular dynamics data of systems driven into a nonequilibrium steady state. We apply this method to study the globule-stretch transition of a single tethered model polymer in shear flow. The folding and unfolding rates of the coarse-grained model agree with the original detailed model. We demonstrate that the folding and unfolding proceeds through the same narrow region of configuration space but along different cycles.
Nonequilibrium electron spin relaxation in n-type doped GaAs sample
2019
Non-equilibrium electron spin relaxation in a n-type doped GaAs bulk semiconductor is investigated. We use a semiclassical Monte Carlo approach by considering multivalley spin dynamics of drifting electrons. Spin relaxation is considered through the D'yakonov-Perel mechanism, which is the dominant process in III-V semiconductors. An analytical expression for the inhomogeneous broadening of spin precession vector is derived by taking into account the effect of the electric field and the doping density. The inclusion of electron-electron scattering has the effect of increasing both the spin lifetime and the depolarization length. In particular, we find a non-monotonic trend with the maximum o…
Entropy flux in non-equilibrium thermodynamics
2004
Abstract An important problem in thermodynamics is the link between the entropy flux and the heat flux, for phenomena far from equilibrium. As an illustration we consider here the case of a rigid heat conductor subject to heating. The expression of the entropy flux is determined by the expressions of the evolution equations of the basic variables. It is shown that the coefficient relating entropy and heat fluxes differs far from equilibrium from the inverse of the non-equilibrium temperature θ . The particular case in which these two quantities are identical is examined in detail. A simple but intuitive physical illustration of the results is proposed. A comparison with information theory i…
Extended irreversible thermodynamics of liquid helium II: boundary condition and propagation of fourth sound
2001
Abstract The work deals with further developments of a study previously initiated, in which a macroscopic monofluid model of liquid helium II, based on extended irreversible thermodynamics, has been formulated. The transversal modes are investigated and a boundary condition, suggested in the natural way by their analysis, is formulated; the existence of the fourth sound is demonstrated too. A possible experimental determination of the coefficients appearing in the theory is proposed: it is shown that the model is able to express the velocities and the attenuations of the two sounds in bulk helium II, in accord with the experimental data, using a number of parameters smaller than those intro…
Negative Interfacial Tension in Phase-Separated Active Brownian Particles.
2015
We study numerically a model for active suspensions of self-propelled repulsive particles, for which a stable phase separation into a dilute and a dense phase is observed. We exploit the fact that for nonsquare boxes a stable "slab" configuration is reached, in which interfaces align with the shorter box edge. Evaluating a recent proposal for an intensive active swimming pressure, we demonstrate that the excess stress within the interface separating both phases is negative. The occurrence of a negative tension together with stable phase separation is a genuine nonequilibrium effect that is rationalized in terms of a positive stiffness, the estimate of which agrees excellently with the numer…