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Correlation functions and transport coefficients of self-diffusion and shear viscosity of a binary Lennard-Jones mixture with components differing only in their particle mass are studied up to high values of the mass ratio $\mu$, including…

Soft Condensed Matter · Physics 2015-05-13 W. Fenz , I. M. Mryglod , O. Prytula , R. Folk

We report on calculations of the translational and rotational short-time self-diffusion coefficients $D^t_s$ and $D^r_s$ for suspensions of charge-stabilized colloidal spheres. These diffusion coefficients are affected by electrostatic…

Soft Condensed Matter · Physics 2009-10-30 M. Watzlawek , G. Naegele

Extensive molecular dynamics (MD) computer simulations of an equimolar glass-forming AB mixture with large size ratio are presented. While the large A particles show a glass transition around the critical density of mode coupling theory…

Soft Condensed Matter · Physics 2023-03-10 Vinay Vaibhav , Jürgen Horbach , Pinaki Chaudhuri

We formulate a scaling theory for the long-time diffusive motion in a space occluded by a high density of moving obstacles in dimensions 1, 2 and 3. Our tracers diffuse anomalously over many decades in time, before reaching a diffusive…

Statistical Mechanics · Physics 2024-10-22 H. Bendekgey , G. Huber , D. Yllanes

We present results on tagged particle diffusion in a meso-scale lattice model for sheared amorphous material in athermal quasi-static conditions. We find a short time diffusive regime and a long time diffusive regime whose diffusion…

Soft Condensed Matter · Physics 2018-10-10 Botond Tyukodi , Craig E Maloney , Damien Vandembroucq

A practical correction formula relating the self-diffusion coefficient of dense liquids from molecular dynamics simulations with periodic boundary conditions to the self-diffusion coefficient in the thermodynamic limit is discussed. This…

Statistical Mechanics · Physics 2024-02-15 Sergey Khrapak

We present a (heuristic) theoretical derivation for the scaling of the diffusion coefficient $D_f$ for fluctuating ``pulled'' fronts. In agreement with earlier numerical simulations, we find that as $N\to\infty$, $D_f$ approaches zero as…

Statistical Mechanics · Physics 2007-05-23 Debabrata Panja

Collective diffusion coefficient in a one dimensional lattice gas adsorbate is calculated using variational approach. Particles interact via either a long-range, or a long range electron-gas-mediated (for a metallic substrate), or a…

Materials Science · Physics 2009-05-26 Filip Krzyżewski , Magdalena A. Załuska-Kotur

Crystallization kinetics has features that are universal and independent of the type of crystallized system. The possibility of using scaling relations to describe the temperature dependences of the surface self-diffusion coefficient $D_s$,…

Materials Science · Physics 2020-01-07 Anatolii V. Mokshin , Bulat N. Galimzyanov , Dinar T. Yarullin

We study the dynamic scaling properties of an aggregation model in which particles obey both diffusive and driven ballistic dynamics. The diffusion constant and the velocity of a cluster of size $s$ follow $D(s) \sim s^\gamma$ and $v(s)…

Statistical Mechanics · Physics 2009-10-31 E. K. O. Hellen , T. P. Simula , M. J. Alava

The transport properties of disordered systems are known to depend critically on dimensionality. We study the diffusion coefficient of a quantum particle confined to a lattice on the surface of a tube, where it scales between the 1D and 2D…

Mesoscale and Nanoscale Physics · Physics 2016-05-18 Chern Chuang , Chee Kong Lee , Jeremy M. Moix , Jasper Knoester , Jianshu Cao

A mass ejection model in a time-dependent random environment with both temporal and spatial correlations is introduced. When the environment has a finite correlation length, individual particle trajectories are found to diffuse at large…

Chaotic Dynamics · Physics 2012-03-28 Giorgio Krstulovic , Rehab Bitane , Jeremie Bec

The self-diffusion coefficient of a granular gas in the homogeneous cooling state is analyzed near the shearing instability. Using mode-coupling theory, it is shown that the coefficient diverges logarithmically as the instability is…

Statistical Mechanics · Physics 2015-07-02 J. Javier Brey , Maria J. Ruiz-Montero

We study many-particle diffusion in 2D colloidal suspensions with full hydrodynamic interactions through a novel mesoscopic simulation technique. We focus on the behaviour of the effective scaled tracer and collective diffusion coefficients…

Soft Condensed Matter · Physics 2009-11-10 E. Falck , J. M. Lahtinen , I. Vattulainen , T. Ala-Nissila

Widely applicable, modified Green-Kubo expressions for the local diffusion coefficient ($D_l$) are obtained using linear response theory. In contrast to past definitions in use, these expressions are statistical mechanical results.…

Statistical Mechanics · Physics 2023-05-25 Michelle A. Hunter , Baris Demir , Charlotte F. Petersen , Debra J. Searles

Diffusion coefficients are essential microphysics input for modeling white dwarf evolution, as they impact phase separation at crystallization and sedimentary heat sources. Present schemes for computing diffusion coefficients are accurate…

Solar and Stellar Astrophysics · Physics 2022-04-06 M. E. Caplan , E. B. Bauer , I. F. Freeman

Self-diffusion coefficients, $D^*$, are routinely estimated from molecular dynamics simulations by fitting a linear model to the observed mean-squared displacements (MSDs) of mobile species. MSDs derived from simulation exhibit statistical…

Statistical Mechanics · Physics 2026-01-05 Andrew R. McCluskey , Samuel W. Coles , Benjamin J. Morgan

We model two time and space scales discrete observations by using a unique continuous diffusion process with time dependent coefficient. We define new parameters for the large scale model as functions of the small scale distribution…

Methodology · Statistics 2009-09-09 V. Calian , G. Stefansson , L. P. Folkow , A. S. Blix

We numerically investigate the self-diffusion coefficient and correlation length of the rigid clusters (i.e., the typical size of the collective motions) in sheared soft athermal particles. Here we find that the rheological flow curves on…

Soft Condensed Matter · Physics 2026-03-26 Kuniyasu Saitoh , Takeshi Kawasaki

We study the diffusion and submonolayer spreading of chainlike molecules on surfaces. Using the fluctuating bond model we extract the collective and tracer diffusion coefficients D_c and D_t with a variety of methods. We show that…

Condensed Matter · Physics 2009-10-28 T. Ala-Nissila , S. Herminghaus , T. Hjelt , P. Leiderer
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