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Self-diffusion in a two-dimensional simple fluid is investigated by both analytical and numerical means. We investigate the anomalous aspects of self-diffusion in two-dimensional fluids with regards to the mean square displacement, the…

Soft Condensed Matter · Physics 2018-09-05 Bongsik Choi , Kyeong Hwan Han , Changho Kim , Peter Talkner , Akinori Kidera , Eok Kyun Lee

Finite-size effects are challenging in molecular dynamics simulations because they have significant effects on computed static and dynamic properties, in particular diffusion constants, friction coefficients and time- or frequency-dependent…

Soft Condensed Matter · Physics 2023-02-20 Laura Scalfi , Domenico Vitali , Henrik Kiefer , Roland R. Netz

Non-monotonous changes in velocity autocorrelations across the transformation from molecular to atomic fluid in hydrogen under pressure are studied by ab initio molecular dynamics simulations at the temperature 2500 K. We report diffusion…

Soft Condensed Matter · Physics 2020-05-27 G. Ruocco , T. Bryk , C. Pierleoni , A. P. Seitsonen

We consider for a monatomic liquid the density and current autocorrelation functions from the point of view of the Vibration-Transit (V-T) theory of liquid dynamics. We also consider their Fourier transforms, one of which is measured by…

Statistical Mechanics · Physics 2007-05-23 Eric D. Chisolm , Giulia De Lorenzi-Venneri , Duane C. Wallace

The hard-disk model plays a role of touchstone for testing and developing the transport theory. By large scale molecular dynamics simulations of this model, three important autocorrelation functions, and as a result the corresponding…

Statistical Mechanics · Physics 2016-05-24 Hanqing Zhao , Hong Zhao

We introduce a parameter estimation method that utilizes microscopic data, specifically averages and correlations of selected microscopic observables, to determine the parameters of a stochastic differential equation governing…

Statistical Mechanics · Physics 2026-04-21 Carlos Monago , J. A. de la Torre , Pep Español

The friction coefficient of fluids may become a function of the velocity at increased external driving. This non-Newtonian behavior is of general theoretical interest as well as of great practical importance, e.g., for the design of…

Soft Condensed Matter · Physics 2022-05-03 Matthias Post , Steffen Wolf , Gerhard Stock

We conduct a molecular dynamics simulation of an inelastic gas system utilizing an event-driven algorithm combined with a thermostat mechanism. Initially, the kinetic energy of the system experiences a decay before settling into a…

Computational Physics · Physics 2025-02-03 Rameez Farooq Shah , Shikha Kumari , Syed Rashid Ahmad

The Active Brownian Particle (ABP) model has become a prototype of self-propelled particles. ABPs move persistently at a constant speed $V$ along a direction that changes slowly by rotational diffusion, characterized by a coefficient $\Dr$.…

Soft Condensed Matter · Physics 2025-03-11 Rodrigo Soto

I derive a mode-coupling theory for the velocity autocorrelation function, \psi(t), in a fluid of randomly driven inelastic hard spheres far from equilibrium. With this, I confirm a conjecture from simulations that the velocity…

Soft Condensed Matter · Physics 2019-02-19 W. Till Kranz

Time evolution of the position-velocity correlation functions (PVCF) plays a key role in a new formalism of Brownian motion. A system of differential equations, which governs PVCF, is derived for magnetic Skyrmions on a 2-dimensional…

Statistical Mechanics · Physics 2019-07-17 E. Tamura , Y. Suzuki

We performed molecular dynamics simulations to study relaxation phenomena during vapor-liquid transitions in a single component Lennard-Jones system. Results from two different overall densities are presented; one in the neighborhood of the…

Statistical Mechanics · Physics 2019-06-04 Sutapa Roy , Arabinda Bera , Suman Majumder , Subir K. Das

The connection between fundamental interactions acting in molecules in a fluid and macroscopically measured properties, such as the viscosity between colloidal particles coated with polymers, is studied here. The role that hydrodynamic and…

Soft Condensed Matter · Physics 2015-09-02 A. Gama Goicochea , M. A. Balderas Altamirano , R. Lopez-Esparza , M. A. Waldo , E. Perez

Near-boundary Brownian motion is a classic hydrodynamic problem of great importance in a variety of fields, from biophysics to micro-/nanofluidics. However, due to challenges in experimental measurements of near-boundary dynamics, the…

Fluid Dynamics · Physics 2016-08-09 Kai Huang , Izabela Szlufarska

A nonequilibrium fluctuation theorem is established for a colloidal particle driven by an external force within the hydrodynamic theory of Brownian motion, describing hydrodynamic memory effects such as the t^(-3/2) power-law decay of the…

Statistical Mechanics · Physics 2020-06-24 Pierre Gaspard

We find in complementary experiments and event driven simulations of sheared inelastic hard spheres that the velocity autocorrelation function $\psi(t)$ decays much faster than $t^{-3/2}$ obtained for a fluid of elastic spheres at…

Soft Condensed Matter · Physics 2009-11-13 Ashish V. Orpe , V. Kumaran , K. Anki Reddy , Arshad Kudrolli

Brownian motion is essential for describing diffusion in systems ranging from simple to complex liquids. Unlike simple liquids, which consist of only a solvent, complex liquids, such as colloidal suspensions or the cytoplasm of a cell, are…

Soft Condensed Matter · Physics 2025-02-27 Jeffrey C. Everts , Robert Hołyst , Karol Makuch

We study the dynamical decay of the van Hove function of Brownian hard spheres using event-driven Brownian dynamics simulations and dynamic test particle theory. Relevant decays mechanisms include deconfinement of the self particle, decay…

Soft Condensed Matter · Physics 2022-04-20 Lucas L. Treffenstädt , Thomas Schindler , Matthias Schmidt

Using Newtonian and Brownian dynamics simulations, the structural and transport properties of hard and soft spheres have been studied. The soft spheres were modeled using inverse power potentials ($V\sim r^{-n}$, with $1/n$ the potential…

Soft Condensed Matter · Physics 2015-05-13 Erik Lange , Jose B. Caballero , Antonio M. Puertas , Matthias Fuchs

We solve a Langevin equation, first studied by de Gennes, in which there is a solid-solid or dry friction force acting on a Brownian particle in addition to the viscous friction usually considered in the study of Brownian motion. We obtain…

Statistical Mechanics · Physics 2010-10-22 Hugo Touchette , Erik Van der Straeten , Wolfram Just