相关论文: Fast reactive flow simulations using analytical Ja…
We present the novel numerical model GeoChemFoam, a multiphase reactive transport solver for simulations on complex pore geometries, including microfluidic devices and micro-CT images. The geochemical model includes bulk and surface…
We describe a new computational method for the numerically stable particle-based simulation of open-boundary flows, including volume conserving chemical reactions. The novel method is validated for the case of heterogeneous catalysis…
CoronaryHemodynamics is a comprehensive simulation package developed on the OpenFOAM platform, designed specifically for coronary artery hemodynamics analysis. The package integrates a complete suite of tools for simulation preparation,…
This paper presents the development of a density-based solver suitable for cavitating flows in the OpenFOAM framework. In this solver, the thermodynamic equilibrium mixture approach is adopted to model the presence of and the phase…
The design and optimization of cryogenic propellant storage tanks for NASA's future space missions require fast and accurate predictions of long-term fluid behaviors. Computational fluid dynamics (CFD) techniques are high-fidelity but…
Motivation: Flux balance analysis, and its variants, are widely used methods for predicting steady-state reaction rates in biochemical reaction networks. The exploration of high dimensional networks with such methods is currently hampered…
Various biological system models have been proposed in systems biology, which are based on the complex biological reactions kinetic of various components. These models are not practical because we lack of kinetic information. In this paper,…
This paper describes the numerical implementation in a high-performance computing environment of an open-source library for model order reduction in fluid dynamics. This library, called pyLOM, contains the algorithms of proper orthogonal…
Relativistic fluid dynamics is a major component in dynamical simulations of the quark-gluon plasma created in relativistic heavy-ion collisions. Simulations of the full three-dimensional dissipative dynamics of the quark-gluon plasma with…
In this paper, we are interested in the acceleration of numerical simulations. We focus on a hypersonic planetary reentry problem whose simulation involves coupling fluid dynamics and chemical reactions. Simulating chemical reactions takes…
The growing complexity and scale of scientific workflows in high performance computing (HPC) environments have led to significant challenges in managing energy consumption without compromising computational performance. Traditional…
Triboelectric charging in particle-laden flows is a complex interplay of fluid and particle dynamics, collision mechanics, and electrostatics. In this study, we introduce triboFoam, an open-source solver built on the OpenFOAM framework,…
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…
Chemistry has a key role in the evolution of the interstellar medium (ISM), so it is highly desirable to follow its evolution in numerical simulations. However, it may easily dominate the computational cost when applied to large systems. In…
Simulation of non-adiabatic dynamics of a quantum system coupled to dissipative environments poses significant challenges. New sophisticated methods are regularly being developed with an eye towards moving to larger systems and more…
In this paper, we present a study on how to develop an efficient multiscale simulation strategy for the dynamics of chemically active systems on low-dimensional supports. Such reactions are encountered in a wide variety of situations,…
In this paper we would like to share our experience for transforming a parallel code for a Computational Fluid Dynamics (CFD) problem into a parallel version for the RedisDG workflow engine. This system is able to capture heterogeneous and…
In chemical process engineering, surrogate models of complex systems are often necessary for tasks of domain exploration, sensitivity analysis of the design parameters, and optimization. A suite of computational fluid dynamics (CFD)…
Long liquid retention times in industrial gaps, due to capillary effects, significantly affect product lifetime by facilitating corrosion on solid surfaces. Concentration-driven evaporation plays a major role in mitigating this corrosion.…
Quantum algorithms have been identified as a potential means to accelerate computational fluid dynamics (CFD) simulations, with the lattice Boltzmann method (LBM) being a promising candidate for realizing quantum speedups. Here, we extend…