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Earlier we showed that in the molecular dynamics simulation of a rigid model of water it is necessary to use an integration time-step $\delta t \leq 0.5$ fs to ensure equipartition between translational and rotational modes. Here we extend…

Soft Condensed Matter · Physics 2025-01-29 Dilipkumar N. Asthagiri , Arjun Valiya Parambathu , Thomas L. Beck

This paper builds upon the fundamental work of Niwa et al. [34], which provides the unique possibility to analyze the relative aggregation/folding propensity of the elements of the entire Escherichia coli (E. coli) proteome in a cell-free…

Computational Engineering, Finance, and Science · Computer Science 2015-07-22 Lorenzo Livi , Alessandro Giuliani , Antonello Rizzi

We present an experimental study of short-time diffusion properties in fluid-like suspensions of monodisperse charge-stabilized silica spheres suspended in DMF. The static structure factor S(q), the short-time diffusion function, D(q), and…

Soft Condensed Matter · Physics 2009-11-13 J. Gapinski , A. Patkowski , A. J. Banchio , J. Buitenhuis , P. Holmqvist , M. P. Lettinga , G. Meier , G. Naegele

Quantum-mechanical van der Waals dispersion interactions play an essential role for both intra-protein and protein-water interactions -- the two main driving forces for the structure and dynamics of proteins in aqueous solution. Typically,…

Chemical Physics · Physics 2019-10-22 Martin Stöhr , Alexandre Tkatchenko

Molecular dynamics simulations are carried out to investigate the diffusion behavior of penetrable-sphere model fluids characterized by a finite energy barrier $\epsilon$. The self-diffusion coefficient is evaluated from the time-dependent…

Soft Condensed Matter · Physics 2010-11-22 Soong-Hyuck Suh , Chun-Ho Kim , Soon-Chul Kim , Andrés Santos

The induced diffusion of tracers in a bacterial suspension is studied theoretically and experimentally at low bacterial concentrations. Considering the swimmer-tracer hydrodynamic interactions at low-Reynolds number and using a kinetic…

Soft Condensed Matter · Physics 2015-06-11 G. L. Miño , J. Dunstan , A. Rousselet , E. Clement , R. Soto

Granular solid hydrodynamics (GSH) is a continuum-mechanical theory for granular media, the range of which is shown in this paper. Simple, frequently analytic solutions are related to classic observations at different shear rates,…

Soft Condensed Matter · Physics 2017-01-25 Yimin Jiang , Mario Liu

Shear viscosity is a measure of the amount of dissipation in a simple fluid. In kinetic theory shear viscosity is related to the rate of momentum transport by quasi-particles, and the uncertainty relation suggests that the ratio of shear…

High Energy Physics - Phenomenology · Physics 2009-11-18 Thomas Schaefer , Derek Teaney

Recent advances in single particle tracking and supercomputing techniques demonstrate the emergence of normal or anomalous, viscoelastic diffusion in conjunction with non-Gaussian distributions in soft, biological, and active matter…

Statistical Mechanics · Physics 2018-01-23 Jakub Ślęzak , Ralf Metzler , Marcin Magdziarz

We present the microscopic kinetic theory of a homogeneous dilute Bose condensed gas in the generalized random phase approximation (GRPA), which satisfies the following requirements: 1) the mass, momentum and energy conservation laws; 2)…

Statistical Mechanics · Physics 2009-11-10 Patrick Navez

Hydrodynamic interactions are important for diverse fluids especially those with low Reynold's number such as microbial and particle-laden suspensions, and proteins diffusing in membranes. Unfortunately, while far-field (asymptotic)…

Soft Condensed Matter · Physics 2023-02-10 Noman Hanif Barbhuiya , A. G. Yodh , Chandan K. Mishra

Protein biologics hold immense potential in therapeutic applications, but their ephemeral nature has hindered their widespread application. The effects of different stressors on protein folding have long been studied, but whether these…

Biological Physics · Physics 2024-08-22 Yinhao Jia , Clare Cocker , Janani Sampath

Liquid-liquid phase separation (LLPS) of protein solutions is governed by highly complex protein-protein interactions. Nevertheless, it has been suggested that based on the extended law of corresponding states (ELCS), as proposed for…

Soft Condensed Matter · Physics 2023-02-08 Jan Hansen , Stefan U. Egelhaaf , Florian Platten

We present a model of the dynamical transition of atomic displacements in proteins. Increased mean-square displacement at higher temperatures is caused by softening of the vibrational force constant by electrostatic and van der Waals forces…

Biological Physics · Physics 2017-08-07 Salman Seyedi , Dmitry V. Matyushov

Determining the spectral density of a molecular system immersed in a proteomic scaffold and in contact to a solvent is a fundamental challenge in the coarse-grained description of, e.g., electron and energy transfer dynamics. Once the…

Quantum Physics · Physics 2014-11-04 Leonardo A. Pachon , Paul Brumer

We report chain self-diffusion and viscosity data for sodium polystyrene sulfonate (NaPSS) in semidilute salt-free aqueous solutions measured by pulsed field gradient NMR and rotational rheometry respectively. The observed concentration…

Soft Condensed Matter · Physics 2021-11-17 Carlos G. Lopez , Jürgen Linders , Christian Mayer , Walter Richtering

We use the operator product expansion (OPE) and dispersion relations to obtain new model-independent "Borel-resummed" sum rules for both shear and bulk viscosity of many-body systems of spin-1/2 fermions with predominantly short range…

Quantum Gases · Physics 2015-05-28 Walter D. Goldberger , Zuhair U. Khandker

In this article a kinetic model for the dynamics of myxobacteria colonies on flat surfaces is investigated. The model is based on the kinetic equation for collective bacteria dynamics introduced in arXiv:2001.02711, which is based on the…

Analysis of PDEs · Mathematics 2021-09-28 Laura Kanzler , Christian Schmeiser

The solvation of charged, nanometer-sized spherical solutes in water, and the effective, solvent-induced force between two such solutes are investigated by constant temperature and pressure Molecular Dynamics simulations of model solutes…

Soft Condensed Matter · Physics 2009-11-10 J. Dzubiella , J. -P. Hansen

We investigate the static shear viscosity on the sol side of the vulcanization transition within a minimal mesoscopic model for the Rouse-dynamics of a randomly crosslinked melt of phantom polymers. We derive an exact relation between the…

Statistical Mechanics · Physics 2009-10-31 Kurt Broderix , Henning Loewe , Peter Mueller , Annette Zippelius
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