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We present a method to estimate the segregation parameter, $S,$ a key input in a continuum transport model of particulate flows. $S$ is determined by minimizing the difference between measured and model-predicted concentration profiles. To…

Self diffusion coefficients and binary Maxwell-Stefan diffusion coefficients were determined by equilibrium molecular dynamics simulations with the Green-Kubo method. The study covers five pure fluids: neon, argon, krypton, xenon, and…

Chemical Physics · Physics 2009-11-13 G. A. Fernandez , J. Vrabec , H. Hasse

MD-GAN is a machine learning-based method that can evolve part of the system at any time step, accelerating the generation of molecular dynamics data. For the accurate prediction of MD-GAN, sufficient information on the dynamics of a part…

Chemical Physics · Physics 2022-02-03 Ryo Kawada , Katsuhiro Endo , Daisuke Yuhara , Kenji Yasuoka

Recently a model for noisy reduced magnetohydrodynamic turbulence was proposed. The latter model was already used to study the random walk of magnetic field lines. In the current article we use the same model to investigate the diffusion of…

Solar and Stellar Astrophysics · Physics 2015-06-22 Andreas Shalchi , Mohammad Hussein

Recently proposed generative models for discrete data, such as Masked Diffusion Models (MDMs), exploit conditional independence approximations to reduce the computational cost of popular Auto-Regressive Models (ARMs), at the price of some…

Machine Learning · Statistics 2025-12-18 Hugo Lavenant , Giacomo Zanella

The numerical simulation of a Poiseuille flow in a narrow channel using the molecular dynamics simulation (MDS) is performed. Poiseuille flow of liquid Argon in a carbon nanochannel is simulated by embedding the fluid particles in a uniform…

Atomic and Molecular Clusters · Physics 2017-08-17 Guo Liang Ni , Ming Li He , Yao Zu Hua , Bagher Abareshi

The bulk nuclear matter produced in heavy ion collisions carries a multitude of conserved quantum numbers: electric charge, baryon number, and strangeness. Therefore, the diffusion processes associated to these conserved charges cannot…

High Energy Physics - Phenomenology · Physics 2020-04-15 Jan A. Fotakis , Moritz Greif , Gabriel Denicol , Harri Niemi , Carsten Greiner

We study various temporal correlation functions of a tagged particle in one-dimensional systems of interacting point particles evolving with Hamiltonian dynamics. Initial conditions of the particles are chosen from the canonical thermal…

Statistical Mechanics · Physics 2015-06-25 Anjan Roy , Abhishek Dhar , Onuttom Narayan , Sanjib Sabhapandit

In this work, we assess the internal dynamics of particles in liquid-solid fluidized beds using an unresolved CFD-DEM model. We use the Nearest Neighbors Method (NNM) and the mixing index based on the principal component analysis proposed…

Fluid Dynamics · Physics 2024-06-25 Victor Oliveira Ferreira , Bruno Blais , Gabriela Cantarelli Lopes

Explicit analytical expressions for the drag and diffusion coefficients of a spherical particle attached to the interface between two immiscible fluids are constructed for the case of a small viscosity ratio between the fluid phases. The…

Soft Condensed Matter · Physics 2016-04-20 Aaron Dörr , Steffen Hardt

We study the problem of distributed adaptive estimation over networks where nodes cooperate to estimate physical parameters that can vary over both space and time domains. We use a set of basis functions to characterize the space-varying…

Systems and Control · Computer Science 2015-07-22 Reza Abdolee , Benoit Champagne , Ali H. Sayed

While it is known that alloy components can segregate to grain boundaries (GBs), and that the atomic mobility in GBs greatly exceeds the atomic mobility in the lattice, little is known about the effect of GB segregation on GB diffusion.…

Materials Science · Physics 2020-08-17 R. K. Koju , Y. Mishin

The tempered fractional diffusion equation could be recognized as the generalization of the classic fractional diffusion equation that the truncation effects are included in the bounded domains. This paper focuses on designing the high…

Numerical Analysis · Mathematics 2020-01-03 Leilei Wei , Yinnian He

Models of diffusion in white dwarfs universally rely on the coefficients calculated by Paquette et al. (1986). We present new calculations of diffusion coefficients based on an advanced microscopic theory of dense plasmas and a numerical…

Solar and Stellar Astrophysics · Physics 2014-10-29 D. Saumon , C. E. Starrett , J. Daligault

In the present work, we use Mach-Zehnder interferometry to thoroughly investigate the drying dynamics of a 2D confined drop of a charged colloidal dispersion. This technique makes it possible to measure the colloid concentration field…

Soft Condensed Matter · Physics 2020-08-13 Benjamin Sobac , Sam Dehaeck , Anne Bouchaudy , Jean-Baptiste Salmon

In this paper, we present a diffusion multi-rate least-mean-square (LMS) algorithm, named DMLMS, which is an effective solution for distributed estimation when two or more observation sequences are available with different sampling rates.…

Systems and Control · Computer Science 2020-03-31 Lu Lu , Xiaomin Yang , Rongzhu Zhang

Through inhalation of, e.g., hyperpolarized $^3$He, it is possible to acquire gas diffusion magnetic resonance measurements that depend on the local geometry in the vast network of microscopic airways that form the respiratory zone of the…

Biological Physics · Physics 2021-05-28 Niels Buhl

Molecular Dynamics (MD) simulation is a powerful tool for understanding the dynamics and structure of matter. Since the resolution of MD is atomic-scale, achieving long time-scale simulations with femtosecond integration is very expensive.…

Machine Learning · Computer Science 2022-04-27 Zijie Li , Kazem Meidani , Prakarsh Yadav , Amir Barati Farimani

Recently, many studies have shed light on the high adaptivity of deep neural network methods in nonparametric regression models, and their superior performance has been established for various function classes. Motivated by this…

Statistics Theory · Mathematics 2023-07-04 Akihiro Oga , Yuta Koike

A variety of enhanced statistical and numerical methods are now routinely used to extract comprehensible and relevant thermodynamic information from the vast amount of complex, high-dimensional data obtained from intensive molecular…

Soft Condensed Matter · Physics 2020-10-14 Francois Sicard , Vladimir Koskin , Alessia Annibale , Edina Rosta