Search results for " Thermodynamics"
showing 10 items of 288 documents
First-principles nonequilibrium Green's-function approach to transient photoabsorption: Application to atoms
2015
We put forward a first-principle NonEquilibrium Green's Function (NEGF) approach to calculate the transient photoabsorption spectrum of optically thin samples. The method can deal with pump fields of arbitrary strength, frequency and duration as well as for overlapping and nonoverlapping pump and probe pulses. The electron-electron repulsion is accounted for by the correlation self-energy, and the resulting numerical scheme deals with matrices that scale quadratically with the system size. Two recent experiments, the first on helium and the second on krypton, are addressed. For the first experiment we explain the bending of the Autler-Townes absorption peaks with increasing the pump-probe d…
Detection of steering direction using EEG recordings based on sample entropy and time-frequency analysis.
2016
Monitoring driver's intentions beforehand is an ambitious aim, which will bring a huge impact on the society by preventing traffic accidents. Hence, in this preliminary study we recorded high resolution electroencephalography (EEG) from 5 subjects while driving a car under real conditions along with an accelerometer which detects the onset of steering. Two sensor-level analyses, sample entropy and time-frequency analysis, have been implemented to observe the dynamics before the onset of steering. Thus, in order to classify the steering direction we applied a machine learning algorithm consisting of: dimensionality reduction and classification using principal-component-analysis (PCA) and sup…
Exponential Relaxation out of Nonequilibrium
1989
Simulation results are presented for a quench from a disordered state to a state below the coexistence curve. The model which we consider is the Ising model but with the dynamics governed by the Swendsen-Wang transition probabilities. We show that the resulting domain growth has an exponential instead of a power law behaviour and that the system is non-self-averaging while in nonequilibrium. The simulations were carried out on a parallel computer with up to 128 processors.
Hysteretic nonequilibrium Ising-Bloch transition
2005
We show that a parametrically driven cubic-quintic complex Ginzburg-Landau equation exhibits a hysteretic nonequilibrium Ising-Bloch transition for large enough quintic nonlinearity. These results help to understand the recent experimental observation of this pheomenon [A. Esteban-Martin et al., Phys. Rev. Lett. 94, 223903 (2005)].
Driven Brownian particle as a paradigm for a nonequilibrium heat bath: Effective temperature and cyclic work extraction
2017
We apply the concept of a frequency-dependent effective temperature based on the fluctuation-dissipation ratio to a driven Brownian particle in a nonequilibrium steady state. Using this system as a thermostat for a weakly coupled harmonic oscillator, the oscillator thermalizes according to a canonical distribution at the respective effective temperature across the entire frequency spectrum. By turning the oscillator from a passive "thermometer" into a heat engine, we realize the cyclic extraction of work from a single thermal reservoir, which is feasible only due to its nonequilibrium nature.
Basic Notions of the Theory of Heat
2016
This chapter summarizes some basic notions of thermodynamics and defines the empirical variables which are needed for the description of thermodynamic systems in equilibrium. Empirical temperature and several scales used to measure temperature are defined. The so-called “zeroth law of thermodynamics” is formulated which says that systems which are in mutual equilibrium have the same temperature. Thermodynamic ensembles corresponding to different macroscopic boundary conditions are introduced and are illustrated by simple models such as the ideal gas. Also, entropy appears on the scene for a first time, both in its statistical and its thermodynamical interpretation. Gibb’s fundamental form i…
A logarithmic fourth-order parabolic equation and related logarithmic Sobolev inequalities
2006
A logarithmic fourth-order parabolic equation in one space dimension with periodic boundary conditions is studied. This equation arises in the context of fluctuations of a stationary nonequilibrium interface and in the modeling of quantum semiconductor devices. The existence of global-in-time non-negative weak solutions and some regularity results are shown. Furthermore, we prove that the solution converges exponentially fast to its mean value in the ``entropy norm'' and in the Fisher information, using a new optimal logarithmic Sobolev inequality for higher derivatives. In particular, the rate is independent of the solution and the constant depends only on the initial value of the entropy.
Dynamic Self-Consistent Field Approach for Studying Kinetic Processes in Multiblock Copolymer Melts
2020
The self-consistent field theory is a popular and highly successful theoretical framework for studying equilibrium (co)polymer systems at the mesoscopic level. Dynamic density functionals allow one to use this framework for studying dynamical processes in the diffusive, non-inertial regime. The central quantity in these approaches is the mobility function, which describes the effect of chain connectivity on the nonlocal response of monomers to thermodynamic driving fields. In a recent study [Mantha et al, Macromolecules 53, 3409 (2020)], we have developed a method to systematically construct mobility functions from reference fine-grained simulations. Here we focus on melts of linear chains …
Substituent effect on the redox potential of substituted (aryl)(2-nitrobenzo[ b ]thiophen-3-yl)amines
2001
Abstract The electronic effect of some meta- or para-substituents on the reduction of the title compounds has been investigated. The reversible reduction potential values of these compounds have been evaluated by cyclic voltammetry at a mercury electrode in 0.1 M tetraethylammoniumtetrafluoroborate, dimethylsulfoxide solutions. The substituent effect depends on both its nature and its position. The reduction potential values of the derivatives studied have been correlated with the Hammett substituent constants.
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 …