[HTML][HTML] Classical and reactive molecular dynamics: Principles and applications in combustion and energy systems

Q Mao, M Feng, XZ Jiang, Y Ren, KH Luo… - Progress in Energy and …, 2023 - Elsevier
Molecular dynamics (MD) has evolved into a ubiquitous, versatile and powerful
computational method for fundamental research in science branches such as biology …

A pressure-based regularized lattice-Boltzmann method for the simulation of compressible flows

G Farag, S Zhao, T Coratger, P Boivin, G Chiavassa… - Physics of …, 2020 - pubs.aip.org
ABSTRACT A new pressure-based lattice-Boltzmann method (HRR-p) is proposed for the
simulation of flows for Mach numbers ranging from 0 to 1.5. Compatible with nearest …

Discrete Boltzmann modeling of high-speed compressible flows with various depths of non-equilibrium

D Zhang, A Xu, Y Zhang, Y Gan, Y Li - Physics of Fluids, 2022 - pubs.aip.org
The non-equilibrium high-speed compressible flows present wealthy applications in
engineering and science. With the deepening of Thermodynamic Non-Equilibrium (TNE) …

Specific-heat ratio effects on the interaction between shock wave and heavy-cylindrical bubble: Based on discrete Boltzmann method

D Zhang, A Xu, J Song, Y Gan, Y Zhang, Y Li - Computers & Fluids, 2023 - Elsevier
Specific-heat ratio effects on the interaction between a planar shock wave and a two-
dimensional heavy-cylindrical bubble are studied by the discrete Boltzmann method …

Discrete Boltzmann modeling of unsteady reactive flows with nonequilibrium effects

C Lin, KH Luo - Physical Review E, 2019 - APS
A multiple-relaxation-time discrete Boltzmann model (DBM) is developed for compressible
thermal reactive flows. A unified Boltzmann equation set is solved for hydrodynamic and …

Study of pore-scale coke combustion in porous media using lattice Boltzmann method

T Lei, Z Wang, KH Luo - Combustion and Flame, 2021 - Elsevier
In-situ combustion (ISC) for heavy oil recovery is a high-risk process and thus calls for a
deep understanding of the coke combustion front. However, simulations for describing pore …

Study of shock wave/boundary layer interaction from the perspective of nonequilibrium effects

Y Bao, R Qiu, K Zhou, T Zhou, Y Weng, K Lin, Y You - Physics of Fluids, 2022 - pubs.aip.org
Shock wave/boundary layer interaction (SWBLI) is a widespread phenomenon in supersonic
flows and has received extensive attention. The boundary layer is generated due to viscous …

[HTML][HTML] Benchmarking a lattice-Boltzmann solver for reactive flows: Is the method worth the effort for combustion?

P Boivin, M Tayyab, S Zhao - Physics of Fluids, 2021 - pubs.aip.org
This Letter reports a validation of a lattice-Boltzmann approach following the Taylor–Green
Vortex benchmark presented at the 19th International Congress on Numerical Combustion …

Hybrid lattice Boltzmann-finite difference model for low Mach number combustion simulation

SA Hosseini, H Safari, N Darabiha, D Thévenin… - Combustion and …, 2019 - Elsevier
Abstract A hybrid Lattice Boltzmann (LB)-finite difference (FD) numerical scheme for the
simulation of reacting flows at low Mach numbers is presented. The FD solver is used to …

Nonequilibrium and morphological characterizations of Kelvin–Helmholtz instability in compressible flows

YB Gan, AG Xu, GC Zhang, CD Lin, HL Lai, ZP Liu - Frontiers of Physics, 2019 - Springer
We investigate the effects of viscosity and heat conduction on the onset and growth of Kelvin–
Helmholtz instability (KHI) via an efficient discrete Boltzmann model. Technically, two …