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The influence of the chain degree of ionization on the adsorption of weak polyelectrolytes on neutral and on oppositely and likely charged surfaces is investigated for the first time, by means of Monte Carlo simulations with the mesoscopic…

Biological Physics · Physics 2012-10-02 F. Alarcón , E. Pérez , A. Gama Goicochea

In this work, we have computed electrical conductivities at ambient conditions of aqueous NaCl and KCl solutions by using the Einstein-Helfand equation. Common force fields (charge q = 1 e) do not reproduce the experimental values of…

Chemical Physics · Physics 2024-01-25 S. Blazquez , J. L. F. Abascal , J. Lagerweij , P. Habibi , P. Dey , T. J. H. Vlugt , O. A. Moultos , C. Vega

Viscosity is a fundamental property of liquid lubricants, yet it is challenging to determine accurately, especially at high pressures. Although equilibrium molecular dynamics (EMD) simulations are a promising alternative to…

Computational Physics · Physics 2026-03-13 Gözdenur Toraman , Dieter Fauconnier , Toon Verstraelen

Selecting powerful predictors for an outcome is a cornerstone task for machine learning. However, some types of questions can only be answered by identifying the predictors that causally affect the outcome. A recent approach to this causal…

Machine Learning · Computer Science 2022-03-01 Guillaume Martinet , Alexander Strzalkowski , Barbara E. Engelhardt

In this work, we investigate the relationship between the Seebeck coefficient $(S)$, and the differential entropy per particle (DEP, $s$), as a tool for characterizing charge carriers in two-dimensional systems. Using armchair silicene…

Mesoscale and Nanoscale Physics · Physics 2025-08-22 Francisco J. Peña , Cesar Nuñez , Bastian Castorene , Michel Aguilera , Natalia Cortés , Patricio Vargas

Accurate models of carrier transport are essential for describing the electronic properties of semiconductor materials. To the best of our knowledge, the current models following the framework of the Boltzmann transport equation (BTE)…

Materials Science · Physics 2015-06-17 Alireza Faghaninia , Joel W. Ager , Cynthia S. Lo

The intricate role of shear viscosity and ion-pair relaxations on ionic conductivity mechanisms and the underlying changes induced by salt concentration ($c$) in organic liquid electrolytes remain poorly understood despite their widespread…

Equilibrium properties in statistical physics are obtained by computing averages with respect to Boltzmann-Gibbs measures, sampled in practice using ergodic dynamics such as the Langevin dynamics. Some quantities however cannot be computed…

Numerical Analysis · Mathematics 2023-01-02 Gabriel Stoltz

The transport properties of a 4H-SiC Schottky diode have been investigated by the Ion Beam Induced Charge (IBIC) technique in lateral geometry through the analysis of the charge collection efficiency (CCE) profile at a fixed applied reverse…

Instrumentation and Detectors · Physics 2016-08-30 P. Olivero , J. Forneris , P. Gamarra , M. Jaksic , A. Lo Giudice , C. Manfredotti , Z. Pastuovic , N. Skukan , E. Vittone

This paper describes a new Bayesian interpretation of a class of skew--Student $t$ distributions. We consider a hierarchical normal model with unknown covariance matrix and show that by imposing different restrictions on the parameter…

Methodology · Statistics 2018-05-25 Abdolnasser Sadeghkhani

The Poisson-Nernst-Planck system of equations used to model ionic transport is interpreted as a gradient flow for the Wasserstein distance and a free energy in the space of probability measures with finite second moment. A variational…

Analysis of PDEs · Mathematics 2015-09-08 David Kinderlehrer , Léonard Monsaingeon , Xiang Xu

One of the fundamental problems in physics which are not rigorously solved yet is the statistical mechanics of nonequilibrium processes. An important contribution to describe irreversible behavior starting from reversible Hamiltonian…

Plasma Physics · Physics 2018-09-11 G. Ropke

We develop a microscopic approach to the consistent construction of the kinetic theory of dilute weakly ionized gases of hydrogen-like atoms. The approach is based on the framework of the second quantization method in the presence of bound…

Statistical Mechanics · Physics 2016-12-08 Yu. V. Slyusarenko , O. Yu. Sliusarenko

A new one-dimensional fluid model for ions in weakly-ionized plasma is proposed. The model differs from the existing ones in two aspects. First, a more accurate approximation of the collision terms in the fluid equations is suggested. For…

Plasma Physics · Physics 2017-04-20 I. L. Semenov

We present a model for electron-ion transport in Warm Dense Matter that incorporates Coulomb coupling effects into the quantum Boltzmann equation of Uehling and Uhlenbeck through the use of a statistical potential of mean force. Although…

Plasma Physics · Physics 2021-06-23 Shane Rightley , S. D. Baalrud

We study heat transport in a Weyl semimetal with broken time-reversal symmetry in the hydrodynamic regime. At the neutrality point, the longitudinal heat conductivity is governed by the momentum relaxation (elastic) time, while longitudinal…

Mesoscale and Nanoscale Physics · Physics 2023-06-06 Yonatan Messica , Pavel M. Ostrovsky , Dmitri B. Gutman

We first bring up the concept of spin-current Seebeck effect based on a recent experiment [Nat. Phys. {\bf 8}, 313 (2012)], and investigate the spin-current Seebeck effect in quantum dot (QD) systems. Our results show that the spin-current…

Mesoscale and Nanoscale Physics · Physics 2014-01-08 Zhi-Cheng Yang , Qing-Feng Sun , X. C. Xie

We have investigated, in the frame work of the transport approach, different aspects of the QGP created in Heavy Ion Collisions at RHIC and LHC energies. The shear viscosity $\eta$ has been calculated by using the Green-Kubo relation at the…

High Energy Physics - Phenomenology · Physics 2015-06-11 Salvatore Plumari , Armando Puglisi , Maria Colonna , Francesco Scardina , Vincenzo Greco

Time-dependent Bose-Einstein condensate (BEC) formation in ultracold atoms is investigated in a nonlinear diffusion model. For constant transport coefficients, the model has been solved analytically. Here, we extend it to include…

Quantum Gases · Physics 2024-08-15 M. Larsson , G. Wolschin

We study the thermoelectric effect of two-dimensional metals on a square lattice within semiclassical Boltzmann transport theory with particular focus on electron-electron scattering. We compute the electrical conductivity and the Seebeck…

Strongly Correlated Electrons · Physics 2013-09-17 Jonathan M. Buhmann , Manfred Sigrist