Search results for "non-equilibrium thermodynamic"
showing 10 items of 126 documents
Non-Equilibrium Thermodynamics of Unsteady Superfluid Turbulence in Counterflow and Rotating Situations
2005
The methods of nonequilibrium thermodynamics are used in this paper to relate an evolution equation for the vortex line density $L$, describing superfluid turbulence in the simultaneous presence of counterflow and rotation, to an evolution equation for the superfluid velocity ${\mathbf{v}}_{s}$, in order to be able to describe the full evolution of ${\mathbf{v}}_{s}$ and $L$, instead of only $L$. Two alternative possibilities are analyzed, related to two possible alternative interpretations of a term coupling the effects of the counterflow and rotation on the vortex tangle, and which imply some differences between situations where counterflow and rotation vectors are parallel or orthogonal …
Energy and temperature of superfluid turbulent vortex tangles
2007
We consider three aspects of turbulent vortex tangles in superfluids. First, we outline some contributions to the Vinen’s equation for the time evolution of the vortex line density, related to the presence of pinned vortices incorporating the effects of the walls. Afterwards, we analyze some aspects of the energy balance of the vortex tangle, related to frictional dissipation and to vortex formation and destruction. Finally, we explore the concept of an effective temperature for the vortex tangle, related to the average energy of the vortex loops and to the diffusion coefficient of vortex lines. The combination of these ideas suggests some formal similarities with other kinds of driven none…
Nonequilibrium critical scaling in quantum thermodynamics
2016
The emerging field of quantum thermodynamics is contributing important results and insights into archetypal many-body problems, including quantum phase transitions. Still, the question whether out-of-equilibrium quantities, such as fluctuations of work, exhibit critical scaling after a sudden quench in a closed system has remained elusive. Here, we take a novel approach to the problem by studying a quench across an impurity quantum critical point. By performing density matrix renormalization group computations on the two-impurity Kondo model, we are able to establish that the irreversible work produced in a quench exhibits finite-size scaling at quantum criticality. This scaling faithfully …
Determination of the stress distribution at the interface metal-oxide: Numerical and theoretical considerations
2005
In this paper we give a brief presentation of the approaches we have recently developed on the oxidation of metals. Firstly, we present an analytical model based on non-equilibrium thermodynamics to describe the reaction kinetics present during the oxidation of a metal. Secondly, we present the molecular dynamics results obtained with a code specially tailored to study the oxidation and growth of an oxide film of aluminium. Our simulations present an excellent agreement with experimental results.
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.