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Protein adsorption at the solid-liquid interface is an important phenomenon that often can be observed as a first step in biological processes. Despite its inherent importance, still relatively little is known about the underlying…

The matter created in relativistic heavy ion collisions is fairly well described by ideal hydrodynamics, and somewhat better described by viscous hydrodynamics. To this point, most viscous calculations have been two-dimensional, based on an…

Nuclear Theory · Physics 2015-06-04 Joshua Vredevoogd , Scott Pratt

Porous graphene has high mechanical strength and atomic layer thickness, which make it a promising material for material separation and biomolecule sensing. Electrostatic interactions between charges in aqueous solution are a kind of strong…

Chemical Physics · Physics 2016-08-02 Yinghua Qiu , Kun Li , Weiyu Chen , Wei Si , Qiyan Tan , Yunfei Chen

Electron-electron interactions and correlations form the basis of difficulties encountered in the theoretical solution of problems dealing with multi-electron systems. Accurate treatment of the electron-electron problem is likely to unravel…

Quantum Physics · Physics 2022-03-24 E. O. Jobunga

The issues of electronic polarizability in molecular dynamics simulations are discussed. We argue that the charges of ionized groups in proteins, and charges of ions in conventional non-polarizable force fields such as CHARMM, AMBER,…

Chemical Physics · Physics 2017-09-13 Igor Leontyev , Alexei Stuchebrukhov

Complex fluids flow in complex ways in complex structures. Transport of water and various organic and inorganic molecules in the central nervous system are important in a wide range of biological and medical processes [C. Nicholson, and S.…

Biological Physics · Physics 2021-05-19 Yi Zhu , Shixin Xu , Robert S. Eisenberg , Huaxiong Huang

Ion channels form pores across the lipid bilayer, selectively allowing inorganic ions to cross the membrane down their electrochemical gradient. While the study of ion desolvation free-energies have attracted much attention, the role of…

Chemical Physics · Physics 2012-07-31 Diego Prada-Gracia , Francesco Rao

Starting from first principles quantum kinetic theory for ideal plasmas with exchange effects, the quantum hydrodynamic equations are derived taking moments of the corresponding exchange-Vlasov equation. The case of an electron-ion plasma…

Plasma Physics · Physics 2021-04-22 Fernando Haas

In this lecture note, we present several topics on relativistic hydrodynamics and its application to relativistic heavy ion collisions. In the first part we give a brief introduction to relativistic hydrodynamics in the context of heavy ion…

Nuclear Theory · Physics 2015-05-13 Tetsufumi Hirano , Naomi van der Kolk , Ante Bilandzic

A well known, if little documented, problem in many molecular simulations of aqueous ionic solutions at finite concentrations is that unrealistic cation-cation associations are frequently found. One might suspect a defect in the ion-ion…

Soft Condensed Matter · Physics 2012-07-16 Ph. A. Bopp , K. Ibuki

We study dynamics and thermodynamics of ion channels, considered as effective 1D Coulomb systems. The long range nature of the inter-ion interactions comes about due to the dielectric constants mismatch between the water and lipids,…

Statistical Mechanics · Physics 2021-02-05 Tobias Gulden , Alex Kamenev

The impact of mesoscale organization on dynamics and ion transport in binary ionic liquid mixtures is investigated by broadband dielectric spectroscopy, dynamic-mechanical spectroscopy, x-ray scattering, and molecular dynamics simulations.…

Soft Condensed Matter · Physics 2019-05-09 Tyler Cosby , Utkarsh Kapoor , Jindal K. Shah , Joshua Sangoro

The interaction of bodies in a fluid, mediated by hydrodynamic fluctuations and proposed by Dzyaloshinskii, Lifshitz, and Pitaevskii, is calculated exactly for parallel infinite planes and is shown to be attractive. The second mechanism of…

Soft Condensed Matter · Physics 2007-05-23 B. I. Ivlev

Water and water-mediated interactions determine thermodynamic and kinetics of protein folding, protein aggregation and self-assembly in confined spaces. To obtain insights into the role of water in the context of folding problems, we…

Soft Condensed Matter · Physics 2015-05-28 S. Vaitheeswaran , Jie Chen , D. Thirumalai

Natural minerals contain ions that become hydrated when they come into contact with water in vapor and liquid forms. Muscovite mica -- a common phyllosilicate with perfect cleavage planes -- is an ideal system to investigate the details of…

We present a study on ion-atom-atom reaction A+A+B$^+$ in a wide range of systems and collision energies ranging from 100$~\mu$K to 10$^5~$K, analyzing the two possible products: molecules and molecular ions. The dynamics is performed via a…

Atomic Physics · Physics 2023-02-23 Marjan Mirahmadi , Jesús Pérez-Ríos

We analyze the AC electro-osmotic motion of a 1:1 aqueous solution, taking into account the difference in mobilities and diffusion coefficients between positive and negative ions. This model serves to understand the behavior of common…

Fluid Dynamics · Physics 2008-03-10 Antonio Gonzalez , Antonio Ramos , Pablo Garcia-Sanchez , Antonio Castellanos

Wetting is a widespread phenomenon, most prominent in a number of cases, both in nature and technology. Droplets of pure water with initial radius ranging from 20 to 80 [\AA] spreading on graphitic surfaces are studied by molecular dynamics…

Chemical Physics · Physics 2012-08-28 Danilo Sergi , Giulio Scocchi , Alberto Ortona

The extent to which biological interfaces affect the dynamics of water plays a key role in the exchange of matter and chemical interactions that are essential for life. The density and the mobility of water molecules depend on their…

Statistical Mechanics · Physics 2026-01-27 Roman Belousov , Muhammad Nawaz Qaisrani , Ali Hassanali , Édgar Roldán

Bacteria in aquatic environments often interact with particulate matter. A key example is bacterial degradation of marine snow responsible for carbon export from the upper ocean in the biological pump. The ecological interaction between…

Biological Physics · Physics 2020-04-23 Jonasz Słomka , Uria Alcolombri , Eleonora Secchi , Roman Stocker , Vicente I. Fernandez