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The microscopic theory of chemical reactions is based on transition state theory, where atoms or ions transfer classically over an energy barrier, as electrons maintain their ground state. Electron transfer is fundamentally different and…

Nonequilibrium steady states of vibrated inelastic frictionless spheres are investigated in quasi-two-dimensional confinement via molecular dynamics simulations. The phase diagram in the density-amplitude plane exhibits a fluidlike…

Soft Condensed Matter · Physics 2019-02-13 Thomas Schindler , Sebastian C. Kapfer

A diffuse interface (phase field) model for an electrochemical system is developed. We describe the minimal set of components needed to model an electrochemical interface and present a variational derivation of the governing equations. With…

Materials Science · Physics 2007-05-23 J. E. Guyer , W. J. Boettinger , J. A. Warren , G. B. McFadden

A transient Poisson-Nernst-Planck system with steric effects is analyzed in a bounded domain with no-flux boundary conditions for the ion concentrations and mixed Dirichlet-Neumann boundary conditions for the electric potential. The steric…

Analysis of PDEs · Mathematics 2024-11-27 Peter Hirvonen , Ansgar Jüngel

We theoretically study the coherent nonlinear response of electrons confined in semiconductor quantum wells under the effect of an electromagnetic radiation close to resonance with an intersubband transition. Our approach is based on the…

Mesoscale and Nanoscale Physics · Physics 2023-04-11 R. Cominotti , H. A. M. Leymann , J. Nespolo , J. -M. Manceau , M. Jeannin , R. Colombelli , I. Carusotto

A local turbulence model is developed to study energy cascades in the heliosheath and outer heliosphere (OH) based on self-consistent two-dimensional fluid simulations. The model describes a partially ionized magnetofluid OH that couples a…

Space Physics · Physics 2015-05-14 Dastgeer Shaikh , G. P. Zank

Continuum electrolyte models represent a practical tool to account for the presence of the diffuse layer at electrochemical interfaces. However, despite the increasing popularity of these in the field of materials science it remains unclear…

Computational Physics · Physics 2019-01-18 Francesco Nattino , Matthew Truscott , Nicola Marzari , Oliviero Andreussi

We couple the Leaky Membrane Model, which describes the diffusion and electromigration of ions in a homogenized porous medium of fixed background charge, with Butler-Volmer reaction kinetics for flat electrodes separated by such a medium in…

Chemical Physics · Physics 2018-02-08 Edwin Khoo , Martin Z. Bazant

Particle-particle correlation functions in ionic systems control many of their macroscopic properties. In this work, we use stochastic density functional theory to compute these correlations, and then we analyze their long-range behavior.…

Statistical Mechanics · Physics 2025-02-05 Haggai Bonneau , Vincent Démery , Elie Raphaël

We investigate ion pairing dynamics in electrolytes driven far from equilibrium using molecular simulations and nonequilibrium rate theory. Focusing on 0.5 M $\mathrm{LiPF_6}$ in water and acetonitrile under uniform electric fields, we…

Chemical Physics · Physics 2026-02-12 Seokjin Moon , David T. Limmer

We study the reentrant condensation of polyelectrolytes in dilute solutions of small multivalent salts, whose phase-transition mechanism remains poorly understood. Motivated by recent full atomic simulation results reported by the Caltech…

Soft Condensed Matter · Physics 2024-05-13 Huaisong Yong , Bilin Zhuang , Sissi de Beer

An approximate analytical solution to the fluctuation potential problem in the modified Poisson-Boltzmann theory of electrolyte solutions in the restricted primitive model is presented. The solution is valid for all inter-ionic distances,…

Statistical Mechanics · Physics 2017-12-15 E. O. Ulloa-Dávila , L. B. Bhuiyan

We develop a field theory formalism for the disordered interacting electron liquid in the dynamical Keldysh formulation. This formalism is an alternative to the previously used replica technique. In addition it naturally allows for the…

Disordered Systems and Neural Networks · Physics 2009-10-31 Alex Kamenev , Anton Andreev

We evaluate the current distribution for a single-electron transistor with intermediate strength tunnel conductance. Using the Schwinger-Keldysh approach and the drone (Majorana) fermion representation we account for the renormalization of…

Mesoscale and Nanoscale Physics · Physics 2007-05-23 Yasuhiro Utsumi , Dmitri S. Golubev , Gerd Schön

A modified Poisson-Nernst-Planck system in a bounded domain with mixed Dirichlet-Neumann boundary conditions is analyzed. It describes the concentrations of ions immersed in a polar solvent and the correlated electric potential due to the…

Analysis of PDEs · Mathematics 2023-05-25 Ansgar Jüngel , Annamaria Massimini

We study Rosen-Zener transition (RZT) in a nonlinear two-level system in which the level energies depend on the occupation of the levels, representing a mean-field type of interaction between the particles. We find that the nonlinearity…

Mesoscale and Nanoscale Physics · Physics 2009-11-13 Di-Fa Ye , Li-Bin Fu , Jie Liu

We construct an explicitly solvable Landau mean-field theory for volume phase transitions of confined or fixed ions driven by relative concentrations of divalent and monovalent counterions. Such phase transitions have been widely studied in…

Soft Condensed Matter · Physics 2011-02-17 Kyle J. Welch , Fred Gittes

We consider bilayer quantum Hall systems at total filling factor $\nu=1$ in presence of a bias voltage $\Delta_v$ which leads to different filling factors in each layer. We use auxiliary field functional integral approach to study…

Mesoscale and Nanoscale Physics · Physics 2009-11-07 Yogesh N. Joglekar , Allan H. MacDonald

The increasing number of experimental observations on highly concentrated electrolytes and ionic liquids show qualitative features that are distinct from dilute or moderately concentrated electrolytes, such as self-assembly, multiple-time…

Chemical Physics · Physics 2018-02-08 Nir Gavish , Doron Elad , Arik Yochelis

We study the correlation between balance energy and transition energy of fragment in heavy-ion collisions for different systems at incident energies between 40 and 1200 MeV/nucleon using an isospin-dependent quantum molecular dynamics…

Nuclear Theory · Physics 2011-11-08 Rajni , Suneel Kumar , Rajeev K. Puri