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Reactive flows in confined spaces involve complex flame-wall interaction (FWI). This work aims to gain more insights into the physics of the premixed near-wall flame and the wall heat flux as an important engineering relevant quantity. Two…

Fluid Dynamics · Physics 2025-10-31 Kunlin Li , Chenlin Guo , Zhaofan Zhu , Haiou Wang , Lipo Wang

We propose a general methodology for calculating the self-diffusion tensor from molecular dynamics for a liquid with a liquid-gas or liquid-solid interface. The standard method used in bulk fluids, based on computing the mean square…

Chemical Physics · Physics 2007-05-23 Pu Liu , Edward Harder , B. J. Berne

Novel methods are presented in this initial study for the fusion of GPU kernels in the artificial compressibility method (ACM), using tensor product elements with constant Jacobians and flux reconstruction. This is made possible through the…

Mathematical Software · Computer Science 2022-01-05 Will Trojak , Rob Watson , Freddie Witherden

Numerical solution of reaction-diffusion equations in three dimensions is one of the most challenging applied mathematical problems. Since these simulations are very time consuming, any ideas and strategies aiming at the reduction of CPU…

Computational Physics · Physics 2011-08-17 Ferenc Molnar , Ferenc Izsak , Robert Meszaros , Istvan Lagzi

Lean turbulent premixed hydrogen/air flames have substantially increased flame speeds, commonly attributed to differential diffusion effects. In this work, the effect of turbulence on lean hydrogen combustion is studied through Direct…

Fluid Dynamics · Physics 2024-08-20 Matthew X. Yao , Guillaume Blanquart

We consider a special type of fast reaction-diffusion systems in which the coefficients of the reaction terms of the two substances are much larger than those of the diffusion terms while the diffusive motion to the substrate is negligible.…

Numerical Analysis · Mathematics 2024-04-30 Yu Zhao , Zhennan Zhou

We present a new method for introducing stable non-equilibrium concentration gradients in molecular dynamics simulations of mixtures. This method extends earlier Reverse Non-Equilibrium Molecular Dynamics (RNEMD) methods which use kinetic…

Chemical Physics · Physics 2024-08-06 Cody R. Drisko , J. Daniel Gezelter

Most studies of triple flames in counterflowing streams of fuel and oxidizer have been focused on the symmetric problem in which the stoichiometric mixture fraction is $1/2$. There then exist lean and rich premixed flames of roughly equal…

The present paper deals with the numerical study of high pressure LOx/H2 or LOx/hydrocarbon combustion for propulsion systems. The present research effort is driven by the continued interest in achieving low cost, reliable access to space…

Fluid Dynamics · Physics 2015-02-19 A. Coclite , L. Cutrone , P. De Palma , G. Pascazio

Starting with an integral formulation of mass flow rate through an ensemble of isotherms constituting a statistically planar, turbulent premixed flame, a scaling for the corresponding turbulent flame speed is derived without invoking…

Fluid Dynamics · Physics 2022-07-14 Swetaprovo Chaudhuri , Bruno Savard

In this paper we describe a numerical algorithm for integrating the multicomponent, reacting, compressible Navier-Stokes equations, targeted for direct numerical simulation of combustion phenomena. The algorithm addresses two shortcomings…

Numerical Analysis · Mathematics 2015-06-17 M. Emmett , W. Zhang , J. B. Bell

In this paper, we present an hp-adaptive hybrid Discontinuous Galerkin/Finite Volume method for simulating compressible, turbulent multi-component flows. Building on a previously established hp-adaptive strategy for hyperbolic gas- and…

This work examines the physical consistency of the conventional Flamelet Progress Variable (FPV) model for diffusion flame simulations and and introduces a new compressible flamelet formulation that employs the turbulent kinetic energy…

Fluid Dynamics · Physics 2026-04-01 Sylvain L. Walsh , Yalu Zhu , Feng Liu , William A. Sirignano

We introduce a simple and efficient algorithm for diffusion in smoothed particle hydrodynamics (SPH) simulations and apply it to the problem of chemical mixing. Based on the concept of turbulent diffusion, we link the diffusivity of a…

Astrophysics · Physics 2009-11-13 Thomas H. Greif , Simon C. O. Glover , Volker Bromm , Ralf S. Klessen

Liquid ammonia combustion can be enhanced by co-firing with small molecular fuels such as methane, and liquid ammonia will undergo flash evaporation due to its relatively low saturation pressure. These characteristics, involving the…

Fluid Dynamics · Physics 2024-09-23 Zhenhua An , Jiangkuan Xing , Abhishek Lakshman Pillai , Ryoichi Kurose

The present research proposes a new memory-efficient method using diffusion models to inject turbulent inflow conditions into Large Eddy Simulation (LES) and Direct Numerical Simulation (DNS) for various flow problems. A guided diffusion…

Analyzed in this paper are three-dimensional Direct Numerical Simulation (DNS) data obtained from seven statistically planar and one-dimensional, lean complex-chemistry hydrogen-air flames propagating in a box with forced turbulence. The…

Fluid Dynamics · Physics 2025-04-09 H. C. Lee , P. Dai , M. Wan , Andrei N. Lipatnikov

In this work, we introduce DeepFlame, an open-source C++ platform with the capabilities of utilising machine learning algorithms and pre-trained models to solve for reactive flows. We combine the individual strengths of the computational…

Fluid Dynamics · Physics 2023-07-17 Runze Mao , Minqi Lin , Yan Zhang , Tianhan Zhang , Zhi-Qin John Xu , Zhi X. Chen

We implemented a fast Reciprocal Monte Carlo algorithm, to accurately solve radiative heat transfer in turbulent flows of non-grey participating media that can be coupled to fully resolved turbulent flows, namely to Direct Numerical…

Computational Engineering, Finance, and Science · Computer Science 2019-05-21 Simone Silvestri , Rene Pecnik

In this paper, three efficient ensemble algorithms are proposed for fast-solving the random fluid-fluid interaction model. Such a model can be simplified as coupling two heat equations with random diffusion coefficients and a friction…

Numerical Analysis · Mathematics 2023-01-24 Yizhong Sun , Jiangshan Wang , Haibiao Zheng