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A mesoscopic multi-particle collision model for fluid dynamics is generalized to incorporate the chemical reactions among species that may diffuse at different rates. This generalization provides a means to simulate reaction-diffusion…
The mechanisms of direct detonation initiation (DDI) in methane/air mixtures containing coal particles are investigated through simulations conducted using the Eulerian-Lagrangian method in a two-dimensional configuration. Methane-air…
The seven-equation model is a compressible multiphase formulation that allows for phasic velocity and pressure disequilibrium. These equations are solved using a diffused interface method that models resolved multiphase flows. Novel…
The dynamics of flame propagation in systems with infinite Lewis number and spatially discretized sources of heat release is examined, which is applicable to the combustion of suspensions of fuel particles in air. The system is analyzed…
The accidental ignition of combustible atmospheres by hot surfaces is of great concern for chemical and process plant safety. In this paper, we present our research regarding the evolution of thermal plumes originating from hot hemispheres…
Thermal multi-phase flow simulations are indispensable to understanding the multi-scale and multi-physics phenomena in metal additive manufacturing (AM) processes, yet accurate and robust predictions remain challenging. This book chapter…
A selfconsistent 1D theoretical framework for plasma assisted ignition and combustion is reviewed. In this framework, a frozen electric field modeling approach is applied to take advantage of the quasiperiodic behaviors of the electrical…
In this work we study the diffusion mechanisms in lithium disilicate melt using molecular dynamics simulation, which has an edge over other simulation methods because it can track down actual atomic rearrangements in materials once a…
A space discrete approximation to a highly nonlinear reaction-diffusion system endowed with a stochastic dynamical boundary condition is analyzed and the convergence of the discrete scheme to the solution to the corresponding continuum…
The hydrogen (H2) fueled direct-injection (DI) compression-ignition (CI) argon power cycle (APC) is an attractive technology to counteract the mismatch between energy demand and supply from renewable energy sources. The development of the…
Large eddy simulation (LES) has become the de-facto computational tool for modeling complex reacting flows, especially in gas turbine applications. However, readily usable general-purpose LES codes for complex geometries are typically…
The objective of this work is to investigate the coupling of fluid dynamics, heat transfer and mass transfer during the impact and evaporation of droplets on a heated solid substrate. A laser-based thermoreflectance method is used to…
This work presents a numerical study of a diffusion flame in a reacting, two-dimensional, turbulent, viscous, multi-component, compressible mixing layer subject to a large favorable streamwise pressure gradient. The boundary-layer equations…
The injection of transverse jets into supersonic compressible crossflows represents a fundamental configuration relevant to a spectrum of high-speed applications. The intricate interactions arising between the crossflow and the injected jet…
We use direct numerical simulation (DNS) to investigate mass transfer between liquid steel and slag during a metallurgical secondary refinement process through two reduced-scale water experiments, which reproduce the dynamics seen in an…
The prediction of auto-ignition delay times in HCCI engines has risen interest on detailed chemical models. This paper described a validated kinetic mechanism for the oxidation of a model Diesel fuel (n-decane and α-methylnaphthalene).…
A new computational methodology, termed "PeleLM-FDF" is developed and utilized for high fidelity large eddy simulation (LES) of complex turbulent combustion systems. This methodology is constructed via a hybrid scheme combining the Eulerian…
We address in this paper a model for the simulation of turbulent deflagrations in industrial applications. The flow is governed by the Euler equations for a variable composition mixture and the combustion modelling is based on a…
A diffused-interface approach based on the Allen-Cahn phase field equation is developed within a high-order Discontinuous Galerkin framework. The interface capturing technique is based on the balance between explicit diffusion and…
An integrated simulation approach fully based upon particle-in-cell (PIC) model is proposed, which involves both fast particle generation via laser solid-density plasma interaction and transport and energy deposition of the particles in…