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We propose a method for obtaining the intrinsic, long time mean square displacement (MSD) of atoms and molecules in proteins from finite time molecular dynamics (MD) simulations. Typical data from simulations are limited to times of 1 to 10…

Biological Physics · Physics 2015-06-17 Derya Vural , Liang Hong , Jeremy C. Smith , Henry R. Glyde

We demonstrate the densification of a granular model system of polystyrene spheres over time by shaking with varying excitation amplitudes or effective temperatures. This densification is quantified by the mean square displacement (MSD),…

Soft Condensed Matter · Physics 2025-08-05 Marlo Kunzner , Christopher Mayo , Matthias Sperl , Jan Philipp Gabriel

Tracer diffusion in a granular gas in simple shear flow is analyzed. The analysis is made from a perturbation solution of the Boltzmann kinetic equation through first order in the gradient of the mole fraction of tracer particles. The…

Statistical Mechanics · Physics 2009-11-07 Vicente Garzo

Transport coefficients associated with the mass flux of impurities immersed in a moderately dense granular gas of hard disks or spheres described by the inelastic Enskog equation are obtained by means of the Chapman-Enskog expansion. The…

Statistical Mechanics · Physics 2013-05-29 Vicente Garzo , Francisco Vega Reyes

The mean square displacement (MSD) of an argon molecule as a function of time is studied. Its deviations from the standard asymptotic law for intermediate times are analyzed in details. It is shown that these deviations are mainly connected…

Soft Condensed Matter · Physics 2016-12-14 Nikolay P. Malomuzh , Konstantin S. Shakun

The mean-square displacement (MSD) was measured by neutron scattering at various temperatures and pressures for a number of molecular glass-forming liquids. The MSD is invariant along the glass-transition line at the pressure studied, thus…

Soft Condensed Matter · Physics 2012-03-27 K. Niss , C. Dalle-Ferrier , B. Frick , D. Russo , J. Dyre , C. Alba-Simionesco

Experimental studies of the variation of the mean square displacement (MSD) of a particle in a confined colloid suspension that exhibits density variations on the scale length of the particle diameter are not in agreement with the…

Soft Condensed Matter · Physics 2018-06-13 Molly Wolfson , Christopher Liepold , Binhua Lin , Stuart A. Rice

We study the diffusivity of a small particle immersed in a square box filled with a non-ideal multicomponent fluid in the presence of thermal fluctuations. Our approach is based on the numerical integration of fluctuating lattice Boltzmann…

Fluid Dynamics · Physics 2021-12-14 Xiao Xue , Luca Biferale , Mauro Sbragaglia , Federico Toschi

A Langevin process diffusing in a periodic potential landscape has a time dependent diffusion constant which means that its average mean squared displacement (MSD) only becomes linear at late times. The long time, or effective diffusion…

Statistical Mechanics · Physics 2015-06-19 David S. Dean , Gleb Oshanin

We investigate the diffusion of an intruder in a granular gas, with both components modeled as smooth hard spheres, both immersed in a low viscosity carrier fluid to form a particle-laden suspension. In this system, dissipative particle…

Soft Condensed Matter · Physics 2026-03-27 Antonio M. Puertas , Rubén Gómez González

Translational diffusion coefficients are routinely estimated from molecular dynamics simulations. Linear fits to mean squared displacement (MSD) curves have become the de facto standard, from simple liquids to complex biomacromolecules.…

Computational Physics · Physics 2020-11-20 Jakob Tómas Bullerjahn , Sören von Bülow , Gerhard Hummer

Recent advances in light microscopy have spawned new research frontiers in microbiology by working around the diffraction barrier and allowing for the observation of nanometric biological structures. Microrheology is the study of the…

Probability · Mathematics 2016-07-27 Gustavo Didier , Kui Zhang

The homogeneous steady state of a fluid of inelastic hard spheres immersed in a bath of elastic hard spheres kept at equilibrium is analyzed by means of the first Sonine approximation to the (spatially homogeneous) Enskog--Boltzmann…

Statistical Mechanics · Physics 2007-05-23 Andres Santos

Recently, there has been interest in determining the viscoelastic properties of polymeric liquids and other complex fluids by means of Diffusing Wave Spectroscopy (DWS). In this technique, light-scattering spectroscopy is applied to highly…

Soft Condensed Matter · Physics 2024-08-27 George D. J. Phillies

We study the thermal Markovian diffusion of tracer particles in a 2D medium with spatially-varying diffusivity $D(r)$, mimicking recently measured, heterogeneous maps of the apparent diffusion coefficient in biological cells. For this…

Statistical Mechanics · Physics 2014-12-24 Andrey G. Cherstvy , Aleksei V. Chechkin , Ralf Metzler

The general covariance of the diffusion equation is exploited in order to explore the curvature effects appearing on brownian motion over a d-dimensional curved manifold. We use the local frame defined by the so called Riemann normal…

Statistical Mechanics · Physics 2015-05-18 Pavel Castro-Villarreal

We report an analytical evaluation of the mean-squared displacement (MSD) of the particles in glasses based on their coarse grained trajectories. The calculation is conducted by means of a local random configuration-tree theory that was…

Soft Condensed Matter · Physics 2020-01-29 Hai-Yao Deng , Chun-Shing Lee , Matteo Lulli , Ling-Han Zhang , Chi-Hang Lam

The linear integral equations defining the Navier-Stokes (NS) transport coefficients for polydisperse granular mixtures of smooth inelastic hard disks or spheres are solved by using the leading terms in a Sonine polynomial expansion.…

Statistical Mechanics · Physics 2009-11-13 V. Garzo , C. M. Hrenya , J. W. Dufty

The transport coefficients of a granular binary mixture driven by a stochastic bath with friction are determined from the inelastic Boltzmann kinetic equation. A normal solution is obtained via the Chapman-Enskog method for states near…

Statistical Mechanics · Physics 2013-11-20 Nagi Khalil , Vicente Garzó

An intriguing phenomenon displayed by granular flows and predicted by kinetic-theory-based models is the instability known as particle "clustering," which refers to the tendency of dissipative grains to form transient, loose regions of…

Statistical Mechanics · Physics 2012-04-17 Peter P. Mitrano , Vicente Garzó , Andrew M. Hilger , Christopher J. Ewasko , Christine M. Hrenya