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Molecular dynamics simulations provide a versatile framework to study interfacial heat transport, but their accuracy remains limited by the accuracy of available interatomic potentials. In the past, researchers have adopted the use of…

Materials Science · Physics 2021-05-11 Spencer Wyant , Andrew Rohskopf , Asegun Henry

The rarefied flow and multi-scale flow are crucial for the aerodynamic design of spacecraft, ultra-low orbital vehicles and plumes. By introducing a discrete velocity space, the Boltzmann method, such as the discrete velocity method and…

Fluid Dynamics · Physics 2025-04-07 Jianfeng Chen , Sha Liu , Rui Zhang , Chengwen Zhong , Yanguang Yang , Congshan Zhuo

We assess the capabilities of hydrodynamic density functional theory (DFT) to predict mass transfer across vapor-liquid interfaces by studying the response of an initially equilibrated pure component vapor-liquid system to the localized…

Chemical Physics · Physics 2025-07-08 B. Bursik , F. Bender , R. Stierle , G. Bauer , J. Gross

To predict liquid-gas two-phase flow phenomena, accurate tracking and prediction of the evolving liquid-gas interface is required. Volume-of-Fluid or VoF method has been used in the literature for computationally modeling of such flows. In…

Fluid Dynamics · Physics 2023-01-05 Sucharitha Rajendran , Raj M Manglik , Milind A Jog

Modeling and direct numerical simulation of particle-laden flows have a tremendous variety of applications in science and engineering across a vast spectrum of scales from pollution dispersion in the atmosphere, to fluidization in the…

We propose a multi-component discrete Boltzmann model (DBM) for premixed, nonpremixed, or partially premixed nonequilibrium reactive flows. This model is suitable for both subsonic and supersonic flows with or without chemical reaction…

Computational Physics · Physics 2020-06-30 Chuandong Lin , Kai Hong Luo , Linlin Fei , Sauro Succi

In our recent work [H. Zhang, F.X. Trias, A. Oliva, D. Yang, Y. Tan, Y. Sheng. PIBM: Particulate immersed boundary method for fluid-particle interaction problems. Powder Technology. 272(2015), 1-13.], a particulate immersed boundary method…

Computational Physics · Physics 2015-02-05 Hao Zhang , Haizhuan Yuan , F. Xavier Trias , Aibing Yu , Yuanqiang Tan , Assensi Oliva

The Boltzmann kinetic equation for dilute granular suspensions under simple (or uniform) shear flow (USF) is considered to determine the non-Newtonian transport properties of the system. In contrast to previous attempts based on a…

Soft Condensed Matter · Physics 2024-03-18 Rubén Gómez González , Vicente Garzó

In this work, we consider the problem of training a generator from evaluations of energy functions or unnormalized densities. This is a fundamental problem in probabilistic inference, which is crucial for scientific applications such as…

Machine Learning · Computer Science 2024-08-30 Dongyeop Woo , Sungsoo Ahn

In this paper we formulate a nonlocal density functional theory of inhomogeneous water. We model a water molecule as a couple of oppositely charged sites. The negatively charged sites interact with each other through the Lennard-Jones…

Soft Condensed Matter · Physics 2020-08-26 Yu. A. Budkov , A. L. Kolesnikov

A new kinetic model for multiphase flow was presented under the framework of the discrete Boltzmann method (DBM). Significantly different from the previous DBM, a bottom-up approach was adopted in this model. The effects of molecular size…

Computational Physics · Physics 2022-03-24 Yudong Zhang , Aiguo Xu , Jingjiang Qiu , Hongtao Wei , Zung-Hang Wei

The Boltzmann equation for inelastic Maxwell models is used to determine the Navier-Stokes transport coefficients of a granular binary mixture in $d$ dimensions. The Chapman-Enskog method is applied to solve the Boltzmann equation for…

Statistical Mechanics · Physics 2015-06-24 Vicente Garzo , Antonio Astillero

High-fidelity modeling of turbulent flows requires capturing complex spatiotemporal dynamics and multi-scale intermittency, posing a fundamental challenge for traditional knowledge-based systems. While deep generative models, such as…

Machine Learning · Computer Science 2026-04-08 Li Kunpeng , Wan Chenguang , Qu Zhisong , Lim Kyungtak , Virginie Grandgirard , Xavier Garbet , Yu Hua , Ong Yew Soon

Starting from full-dimensional models of solute transport, we derive and analyze multi-dimensional models of time-dependent convection, diffusion, and exchange in and around pulsating vascular and perivascular networks. These models are…

Analysis of PDEs · Mathematics 2023-04-03 Rami Masri , Marius Zeinhofer , Miroslav Kuchta , Marie E. Rognes

We report the key findings from numerical solutions of a model of transport within an established perfusion bioreactor design. The model includes a complete formulation of transport with fully coupled convection-diffusion and scaffold cell…

Quantitative Methods · Quantitative Biology 2011-01-12 T. J. Spencer , I. Halliday , C. M. Care , S. H. Cartmell , L. A. Hidalgo-Bastida

The Boltzmann equation for d-dimensional inelastic Maxwell models is considered to analyze transport properties in spatially inhomogeneous states close to the simple shear flow. A normal solution is obtained via a Chapman--Enskog--like…

Statistical Mechanics · Physics 2009-11-13 Vicente Garzo

Multicomponent multiphase reactive transport processes with dissolution-precipitation are widely encountered in energy and environment systems. A pore-scale two-phase multi-mixture model based on the lattice Boltzmann method (LBM) is…

Fluid Dynamics · Physics 2015-04-09 Li Chen , Qinjun Kang , Qing Tang , Bruce A. Robinson , Ya-Ling He , Wen-Quan Tao

Modelling the vascular transport and adhesion of man-made particles is crucial for optimizing their efficacy in the detection and treatment of diseases. Here, a Lattice Boltzmann and Immersed Boundary methods are combined together for…

Fluid Dynamics · Physics 2016-06-07 Alessandro Coclite , Marco Donato de Tullio , Giuseppe Pascazio , Paolo Decuzzi

We present a series of three-dimensional discrete Boltzmann (DB) models for compressible flows in and out of equilibrium. The key formulating technique is the construction of discrete equilibrium distribution function through inversely…

Fluid Dynamics · Physics 2018-03-06 Yanbiao Gan , Aiguo Xu , Guangcai Zhang , Huilin Lai

We show that by integrating out the electric field and incorporating proper boundary conditions, a semiclassical Boltzmann equation can describe electron transport properties, continuously from the diffusive to ballistic regimes. General…

Mesoscale and Nanoscale Physics · Physics 2016-08-25 H. Geng , W. Y. Deng , Y. J. Ren , L. Sheng , D. Y. Xing