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Accurate representation of interfaces and flux exchange is vital for coupled multiphysics simulations across a broad range of applications. Currently, coupling approaches are limited by the underlying discretization or to specific physical…
This work presents a comprehensive framework for the efficient implementation of finite-volume-based reacting flow solvers, specifically tailored for high speed propulsion applications. Using the exascale computing project (ECP) based AMReX…
Our current understanding of the structure and dynamics of aqueous interfaces at the molecular level has grown substantially in the last few decades due to the continuous development of surface-specific spectroscopies, such as vibrational…
Multiphase flow is a critical process in a wide range of applications, including oil and gas recovery, carbon sequestration, and contaminant remediation. Numerical simulation of multiphase flow requires solving of a large, sparse linear…
The permeability of complex porous materials can be obtained via direct flow simulation, which provides the most accurate results, but is very computationally expensive. In particular, the simulation convergence time scales poorly as…
Simulating fluid flow around arbitrary shapes is key to solving various engineering problems. However, simulating flow physics across complex geometries remains numerically challenging and computationally resource-intensive, particularly…
The torrential influx of floating-point data from domains like IoT and HPC necessitates high-performance lossless compression to mitigate storage costs while preserving absolute data fidelity. Leveraging GPU parallelism for this task…
Modeling of fluid flows requires corresponding adequate and effective approaches that would account for multiscale nature of the considered physics. Despite the tremendous growth of computational power in the past decades, modeling of fluid…
The simulation of hypersonic flows is computationally demanding due to large gradients of the flow variables caused by strong shock waves and thick boundary or shear layers. The resolution of those gradients imposes the use of extremely…
Multiphase flows are characterized by sharp moving interfaces, separating different fluids or phases. In many cases the dynamics of the interface determines the behavior of the flow. In a coarse, or reduced order model, it may therefore be…
To harness the potential of advanced computing technologies, efficient (real time) analysis of large amounts of data is as essential as are front-line simulations. In order to optimise this process, experts need to be supported by…
The propagation of cracks driven by a pressurized fluid emerges in several areas of engineering, including structural, geotechnical, and petroleum engineering. We present a robust numerical framework to simulate fluid-driven fracture…
We present a new adaptive resolution technique for efficient particle-based multiscale molecular dynamics (MD) simulations. The presented approach is tailor-made for molecular systems where atomistic resolution is required only in spatially…
Accurately and efficiently simulating complex fluid dynamics is a challenging task that has traditionally relied on computationally intensive methods. Neural network-based approaches, such as convolutional and graph neural networks, have…
We evaluate an efficient overset grid method for two-dimensional and three-dimensional particulate flows for small numbers of particles at finite Reynolds number. The rigid particles are discretised using moving overset grids overlaid on a…
The dynamics of membranes, shells and capsules in fluid flow has become an active research area in computational physics and computational biology. The small thickness of these elastic materials enables their efficient approximation as a…
In this work, we introduce the novel application of the adaptive mesh refinement (AMR) technique in the global stability analysis of incompressible flows. The design of an accurate mesh for transitional flows is crucial. Indeed, an…
This work presents a methodology to predict a near-optimal spacing function, which defines the element sizes, suitable to perform steady RANS turbulent viscous flow simulations. The strategy aims at utilising existing high fidelity…
This paper reports large-scale direct numerical simulations of homogeneous-isotropic fluid turbulence, achieving sustained performance of 1.08 petaflop/s on gpu hardware using single precision. The simulations use a vortex particle method…
In this paper, we introduce a novel approach that combines multiresolution (MR) techniques with the flux reconstruction (FR) method to accurately and effciently simulate compressible flows. We achieve further enhancements in effciency…