相关论文: Seebeck coefficient of ionic conductors from Bayes…
Starting with a microscopic (individual-based) Brownian dynamics model of charged particles (ions), its macroscopic description is derived as a system of partial differential equations that govern the evolution of ion concentrations in…
Here we develop a formalism for reversible ionic aggregation kinetics in an example concentrated electrolyte, building on previous equilibrium work of McEldrew and co-workers, and thermoreversible polymers and patchy particle systems. This…
The macroscopic hydrodynamic equations are derived for many-body systems in the local-equilibrium approach, using the Schr\"odinger picture of quantum mechanics. In this approach, statistical operators are defined in terms of microscopic…
A likelihood-based unfolding method based on Bayes' theorem is presented, with a particular emphasis on the application to differential cross-section measurements in high-energy particle interactions.
The shear viscosity $\eta$ has been calculated by using the Green-Kubo relation in the framework of a partonic transport approach solved at cascade level. We compare the numerical results for $\eta$ obtained from the Green-Kubo correlator…
The ensemble Kalman filter (EnKF) is a Monte Carlo approximation of the Kalman filter for high dimensional linear Gaussian state space models. EnKF methods have also been developed for parameter inference of static Bayesian models with a…
Much research in recent years has focused on using empirical machine learning approaches to extract useful insights on the structure-property relationships of superconductor material. Notably, these approaches are bringing extreme benefits…
We present a novel, thermodynamically consistent modification of the Pitzer-Debye-H\"uckel term and its extension for concentration dependent density, molar mass and relative permittivity. This extension is validated for ionic liquids by…
Massively-parallel molecular dynamics simulation is applied to systems containing electrolytes, vapour-liquid interfaces, and biomolecules in contact with water-oil interfaces. Novel molecular models of alkali halide salts are presented and…
In chemical analysis made by laboratories one has the problem of determining the concentration of a chemical element in a sample. In order to tackle this problem the guide EURACHEM/CITAC recommends the application of the linear calibration…
The dynamics of electrons in the presence of a positive ion is considered for conditions of weak electron-electron couping but strong electron-ion coupling. The equilibrium electron density and electric field time correlation functions are…
We investigate basic properties of the thermopower (Seebeck coefficient) of phase-coherent conductors under the influence of dephasing and inelastic processes. Transport across the system is caused by a voltage bias or a thermal gradient…
Thermal gradients induce concentration gradients in alkali halide solutions, and the salt migrates towards hot or cold regions depending on the average temperature of the solution. This effect has been interpreted using the heat of…
We consider a semiclassical linear Boltzmann model with a non local collision operator. We provide sharp spectral asymptotics for the small spectrum in the low temperature regime from which we deduce the rate of return to equilibrium as…
This paper describes a comprehensive experimental study on viability and prospects for the measurement of electroweak observables in $e^{+}e^{-}\rightarrow b\bar{b}$ and $e^{+}e^{-}\rightarrow c\bar{c}$ processes at the International Linear…
Electrochemical impedance spectroscopy (EIS) is a widely used tool for characterization of fuel cells and other electrochemical conversion systems. When applied to the on-line monitoring in the context of in-field applications, the…
A numerical algorithm based on the probabilistic path integral approach for solving Schroedinger equation has been devised to treat molecular systems without Born-Oppenheimer approximation in the non relativistic limit at zero temperature…
The dynamics and processes involved in particle-molecule scattering, including nuclear dynamics, are described and analyzed using various quantum information quantities throughout the different stages of the scattering. The main process…
Heavy-ion collisions are well described by a dynamical evolution with a long hydrodynamical phase. In this phase the properties of the strongly coupled quark-gluon plasma are reflected in the equation of state (EoS) and the transport…
As applied to the numerical simulation of electron transport and scattering processes in semiconductors an efficient model describing the scattering of electrons by the ionized impurities is proposed. On the example of GaAs at 77 and 300 K…