Related papers: Chemical Timescale Effects on Detonation Convergen…
The transition of shock-to-detonation is of great significance for the investigation of supernova formation, disaster prevention and supersonic propulsion technology. In this paper, the influence Equation of shock-to-detonation transition…
The physical foundations of the dissipation of energy and the associated heating in weakly collisional plasmas are poorly understood. Here, we compare and contrast several measures that have been used to characterize energy dissipation and…
Stochastic simulation is a widely used method for estimating quantities in models of chemical reaction networks where uncertainty plays a crucial role. However, reducing the statistical uncertainty of the corresponding estimators requires…
The mixing of magmas is a fundamental process in the Earth system causing extreme compositional variations in igneous rocks. This process can develop with different intensities both in space and time, making the interpretation of…
Thermodynamic and flash equilibrium calculations are the cornerstones of simulation process calculations. The iterative approach, a widely used nonlinear problem-solving technique, relies on derivative calculations throughout the procedure…
The present work examines the role of instability and diffusive phenomena in controlling the limits of detonations subject to lateral strain rates. Experiments were conducted in hydrocarbon-oxygen mixtures with varying levels of cellular…
Dense suspensions of particles dispersed in liquids are central to industrial and geophysical processes and serve as model systems for out-of-equilibrium soft matter. At high particle concentrations, they exhibit stress-dependent rheology,…
We report on measurements of self-diffusion coefficients in discrete numerical simulations of steady, homogeneous, collisional shearing flows of nearly identical, frictional, inelastic spheres. We focus on a range of relatively high solid…
The process of numerical thermalization in particle-in-cell (PIC) simulations has been studied extensively. It is analogous to Coulomb collisions in real plasmas, causing particle velocity distributions (VDFs) to evolve towards a Maxwellian…
The scope of the paper is the analysis of the impact of flow reversal on the dynamics of cascades of reactors. Periodic and chaotic oscillations occur in the analyzed system. There is a dependence between the oscillation period of the state…
This paper presents a load balancing strategy for reaction rate evaluation and chemistry integration in reacting flow simulations. The large disparity in scales during combustion introduces stiffness in the numerical integration of the PDEs…
Condensation of a liquid droplet from a supersaturated vapour phase is initiated by a prototypical nucleation event. As such it is challenging to compute its rate from atomistic molecular dynamics simulations. In fact at realistic…
In this paper a numerical procedure to simulate low diffusivity scalar turbulence is presented. The method consists of using a grid for the advected scalar with a higher spatial resolutions than that of the momentum. The latter usually…
While providing a highly accurate framework for simulating laser-induced many-electron dynamics in atom and molecules, including linear and nonlinear steady-state and transient absorption spectra, time-dependent coupled-cluster theory does…
A numerical simulation of kinetic plasma turbulence is performed to assess the applicability of critical balance to kinetic, dissipation scale turbulence. The analysis is performed in the frequency domain to obviate complications inherent…
Numerical studies are presented to assess error estimates for a separable (Hartree) approximation for dynamically evolving composite quantum systems which exhibit distinct scales defined by their mass and frequency ratios. The relevant…
We propose a new numerical approach to compute nonclassical solutions to hyperbolic conservation laws. The class of finite difference schemes presented here is fully conservative and keep nonclassical shock waves as sharp interfaces,…
Modern potential energy surfaces have shifted attention to molecular simulations of chemical reactions. While various methods can estimate rate constants for conformational transitions in molecular dynamics simulations, their applicability…
The flow of emulsions in confined microfluidic channels is affected by surface roughness. Directional roughness effects have recently been reported in channels with asymmetric boundary conditions featuring a flat wall, and a wall textured…
Rotating detonation engines (RDEs) are a critical technology for advancing combustion engines, particularly in applications requiring high efficiency and performance. Understanding the supersonic detonation structure and how various…