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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

The diffusion coefficient of heavy quarks in the deconfined medium is examined in this research using a deep convolutional neural network (CNN) trained with data from relativistic heavy ion collisions involving heavy flavor hadrons. The CNN…

Nuclear Theory · Physics 2023-11-22 Rui Guo , Yonghui Li , Baoyi Chen

Yeh and Hummer's simplified estimation method has often been adopted to obtain diffusion coefficients for solute molecules using molecular dynamic simulation. However, the simplified formula is not necessarily valid when a small basic cell…

Chemical Physics · Physics 2022-10-19 Tomoya Iwashita , Masaaki Nagao , Akira Yoshimori , Masahide Terazima , Ryo Akiyama

We study the diffusion of charged particles in the weakly ionized plasma with the power-law kappa-distributions and without magnetic field. The electrons and ions have different kappa-parameters. We obtain the expressions of both diffusion…

Plasma Physics · Physics 2020-02-04 Lan Wang , Jiulin Du

We consider the problem of statistical inference for the effective dynamics of multiscale diffusion processes with (at least) two widely separated characteristic time scales. More precisely, we seek to determine parameters in the effective…

Statistics Theory · Mathematics 2013-05-30 Sebastian Krumscheid , Grigorios A. Pavliotis , Serafim Kalliadasis

The concept of diffusion in collisionless space plasmas like those near the magnetopause and in the geomagnetic tail is reexamined from a fundamental statistical point of view making use of the division of particle orbits into waiting…

Space Physics · Physics 2014-06-25 R. A. Treumann , W. Baumjohann

A survey is given on asymptotic diffusion coefficients of particles in lattices with random transition rates. Exact and approximate results for single particles are reviewed. A recent exact expression in $d = 1$ which includes occupation…

Condensed Matter · Physics 2007-05-23 K. W. Kehr , T. Wichmann

We study the diffusion equation on the surface of a 4D sphere and obtain a Kubo formula for the diffusion coefficient.

Statistical Mechanics · Physics 2007-05-23 J. -M. Caillol

With neutron star applications in mind, we developed a theory of diffusion in mixtures of superfluid, strongly interacting Fermi liquids. By employing the Landau theory of Fermi liquids, we determined matrices that relate the currents of…

High Energy Astrophysical Phenomena · Physics 2024-01-03 Oleg A. Goglichidze , Mikhail E. Gusakov

Simultaneous use of partial differential equations in conjunction with data analysis has proven to be an efficient way to obtain the main parameters of various phenomena in different areas, such as medical, biological, and ecological. In…

Analysis of PDEs · Mathematics 2023-06-02 Sophie M. Moufawad , Nabil R. Nassif , Faouzi Triki

Major drawback of studying diffusion in multi-component systems is the lack of suitable techniques to estimate the diffusion parameters. In this study, a generalized treatment to determine the intrinsic diffusion coefficients in…

Materials Science · Physics 2022-08-23 Sangeeta Santra , Aloke Paul

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 calculate the transport coefficients, drag and momentum diffusion, of a heavy quark in a thermalized plasma of light quarks in the background of Polyakov loop. Quark thermal mass and the gluon Debye mass are calculated in a non-trivial…

High Energy Physics - Phenomenology · Physics 2019-12-18 Balbeer Singh , Aman Abhishek , Santosh K Das , Hiranmaya Mishra

We present tables for self-diffusion coefficients of the Lennard-Jones liquids and gases for various model formulas in the modified free volume theory of diffusion in the case of reduced temperatures $T^{\ast}=6.0$, 4.0, 1.3, 1.0, 0.8, 0.7…

Fluid Dynamics · Physics 2011-05-16 Jagtar Singh Hunjan , Byung Chan Eu

This article presents, for the first time, the application of diffusion models for generating jet images corresponding to proton-proton collision events at the Large Hadron Collider (LHC). The kinematic variables of quark, gluon, W-boson,…

High Energy Physics - Phenomenology · Physics 2025-08-04 Victor D. Martinez , Vidya Manian , Sudhir Malik

To simulate the transient enhanced diffusion near the surface or interface, a set of equations describing the impurity diffusion and quasichemical reactions of dopant atoms and point defects in ion-implanted layers is proposed and analyzed.…

Materials Science · Physics 2007-05-23 O. I. Velichko , Yu. P. Shaman , A. K. Fedotov , A. V. Masanik

This work studies the parameter-dependent diffusion equation in a two-dimensional domain consisting of locally mirror symmetric layers. It is assumed that the diffusion coefficient is a constant in each layer. The goal is to find…

Numerical Analysis · Mathematics 2024-12-20 Antti Autio , Antti Hannukainen

Estimating the diffusion coefficients experimentally in a four-component inhomogeneous alloy following the conventional diffusion couple method by intersecting three couples at the same composition is difficult unless a small composition…

Materials Science · Physics 2020-05-19 Anuj Dash , Neelamegan Esakkiraja , Aloke Paul

A procedure is presented to estimate the diffusion coefficient of a uniform patch of argon gas in a uniform background of helium gas. Molecular Dynamics (MD) simulations of the two gases interacting through the Lennard-Jones potential are…

Numerical Analysis · Mathematics 2026-05-12 Isaac Viviano

It was suggested in the literature that the self-diffusion coefficient of simple fluids can be approximated as a ratio of the squared thermal velocity of the atoms to the "fluid Einstein frequency," which can thus serve as a rough estimate…

Soft Condensed Matter · Physics 2018-04-10 Sergey Khrapak , Boris Klumov , Lenaic Couedel