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In this work, we propose a numerical approach for simulations of large deformations of interfaces in a level set framework. To obtain a fast and viable numerical solution in both time and space, temporal discretization is based on the…
In transitions between different environmental settings, a molecular system inevitably undergoes a range of detectable changes, and the ability to accurately simulate such responses, e.g., in the form of shifts to molecular energies,…
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…
The propagation of detonation waves in reactive media bounded by an inert, compressible layer is examined via computational simulations in two different geometries, axisymmetric cylinders and two dimensional, planar slabs. For simplicity,…
In the present work we compare reliability of several most widely used reduced detailed chemical kinetic schemes for hydrogen-air and hydrogen-oxygen combustible mixtures. The validation of the schemes includes detailed analysis of 0D and…
Aims. This work presents a new hydrodynamical algorithm to study astrophysical detonations. A prime motivation of this development is the description of a carbon detonation in conditions relevant to superbursts, which are thought to result…
Parallel multiphysics simulations often suffer from load imbalances originating from the applied coupling of algorithms with spatially and temporally varying workloads. It is thus desirable to minimize these imbalances to reduce the time to…
A version of the time-parallel algorithm parareal is analyzed and applied to stochastic models in chemical kinetics. A fast predictor at the macroscopic scale (evaluated in serial) is available in the form of the usual reaction rate…
Simulations of fluid flow in naturally fractured rocks have implications for several subsurface applications, including energy storage and extraction, and waste storage. We are interested in flow in discrete fracture networks, which…
Self consistent quantum approaches are used to study the instabilities of finite nuclear systems. The frequencies of multipole density fluctuations are determined as a function of dilution and temperature, for several isotopes. The spinodal…
Increasingly realistic simulations of the corona are used to predict synthetic observables for instruments onboard both existing and upcoming heliophysics space missions. Synthetic observables play an important role in constraining coronal…
Long-term operation of nuclear steam generators can result in the occurrence of clogging, a deposition phenomenon that may increase the risk of mechanical and vibration loadings on tube bundles and internal structures as well as potentially…
The flow in a shock tube is extremely complex with dynamic multi-scale structures of sharp fronts, flow separation, and vortices due to the interaction of the shock wave, the contact surface, and the boundary layer over the side wall of the…
A numerical study of laminar flow through symmetric and slightly asymmetric sudden expansion, of expansion ratio 1:3, in channels with increasing cross section, is carried out using two different approaches - Conventional CFD and Lattice…
We study the coupling of hydrodynamics and reactions in simulations of the double detonation model for Type Ia supernovae. When assessing the convergence of simulations, the focus is usually on spatial resolution; however, the method of…
This study explores in depth rotating detonation engines (RDEs) fueled by premixed stoichiometric hydrogen/air mixtures through two-dimensional numerical simulations including a detailed chemical kinetic mechanism. To model the spatial…
An adpative integration technique for time advancement of particle motion in the context of coupled computational fluid dynamics (CFD) - discrete element method (DEM) simulations is presented in this work. CFD-DEM models provide an accurate…
A combination of reaction-diffusion models with moving-boundary problems yields a system in which the diffusion (spreading and penetration) and reaction (transformation) evolve the system's state and geometry over time. These systems can be…
Numerical modeling of the edge and scrape-off layer (SOL) must account for atomic processes such as hydrogenic ionization and recombination, charge-exchange, and line radiation. Their reaction rates depend non-linearly on density and…
In the present chapter we focus on the fundamentals of non-grid-conforming numerical approaches to simulating particulate flows, implementation issues and grid convergence vs. available reference data. The main idea is to avoid adapting the…