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Accurate simulations of combustion phenomena require the use of detailed chemical kinetics in order to capture limit phenomena such as ignition and extinction as well as predict pollutant formation. However, the chemical kinetic models for…

Computational Physics · Physics 2017-03-31 Kyle E. Niemeyer , Nicholas J. Curtis , Chih-Jen Sung

Efficient ordinary differential equation solvers for chemical kinetics must take into account the available thread and instruction-level parallelism of the underlying hardware, especially on many-core coprocessors, as well as the numerical…

Computational Physics · Physics 2018-03-28 Christopher P. Stone , Andrew T. Alferman , Kyle E. Niemeyer

The high cost of chemistry integration is a significant computational bottleneck for realistic reactive-flow simulations using operator splitting. Here we present a methodology to accelerate the solution of the chemical kinetic ordinary…

Computational Physics · Physics 2022-05-13 Nicholas J. Curtis , Kyle E. Niemeyer , Chih-Jen Sung

Detailed chemistry-based computational fluid dynamics (CFD) simulations are computationally expensive due to the solution of the underlying chemical kinetics system of ordinary differential equations (ODEs). Here, we introduce a novel…

A fifth-order implicit Runge-Kutta method and two fourth-order exponential integration methods equipped with Krylov subspace approximations were implemented for the GPU and paired with the analytical chemical kinetic Jacobian software…

Computational Physics · Physics 2017-03-30 Nicholas J. Curtis , Kyle E. Niemeyer , Chih-Jen Sung

Higher-fidelity entry simulations can be enabled by integrating finer thermo-chemistry models into compressible flow physics. One such class of models are State-to-State (StS) kinetics, which explicitly track species populations among…

Computational Physics · Physics 2024-03-15 Ayoub Gouasmi , Scott Murman

The Quasi-Steady State Approximation (QSSA) can be an effective tool for reducing the size and stiffness of chemical mechanisms for implementation in computational reacting flow solvers. However, for many applications, stiffness remains,…

This letter investigates parallelism approaches for equation and Jacobian evaluations in large-scale power flow calculation. Two levels of parallelism are proposed and analyzed: inter-model parallelism, which evaluates models in parallel,…

Systems and Control · Electrical Eng. & Systems 2021-08-24 Hantao Cui , Fangxing Li , Xin Fang

The complexity of combustion simulations demands the latest high-performance computing tools to accelerate its time-to-solution results. A current trend on HPC systems is the utilization of CPUs with SIMD or vector extensions to exploit…

Distributed, Parallel, and Cluster Computing · Computer Science 2022-10-24 Fabio Banchelli , Guillermo Oyarzun , Marta Garcia-Gasulla , Filippo Mantovani , Ambrus Both , Guillaume Houzeaux , Daniel Mira

In addressing the demands of industrial high-fidelity computation, the present study introduces a rapid and accurate customized solver developed on the OpenFOAM platform. To enhance computational efficiency, a novel integrated acceleration…

Fluid Dynamics · Physics 2023-11-28 Yinan Yang , Tsukasa Hori , Shinya Sawada , Fumiteru Akamatsu

Single Instruction, Multiple Data (SIMD) vectorization is a major driver of performance in current architectures, and is mandatory for achieving good performance with codes that are limited by instruction throughput. We investigate the…

Distributed, Parallel, and Cluster Computing · Computer Science 2014-01-30 Johannes Hofmann , Jan Treibig , Georg Hager , Gerhard Wellein

In current computer architectures, data movement (from die to network) is by far the most energy consuming part of an algorithm (10pJ/word on-die to 10,000pJ/word on the network). To increase memory locality at the hardware level and reduce…

Computational Physics · Physics 2018-01-17 H. Vincenti , R. Lehe , R. Sasanka , J-L. Vay

Computational Fluid Dynamics (CFD) simulations are often constrained by the memory-bound nature of sparse matrix-vector operations, which eventually limits performance on modern high-performance computing (HPC) systems. This work introduces…

Simulations of pulverised coal combustion rely on various models, required in order to correctly approximate the flow, chemical reactions, and behavior of solid particles. These models, in turn, rely on multiple model parameters, which are…

Chemical Physics · Physics 2021-02-24 Ahmed Hassan , Taraneh Sayadi , Vincent LeChenadec , Heinz Pitsch , Antonio Attili

In the current era of Noisy Intermediate Scale Quantum (NISQ) computing, efficient digital simulation of quantum systems holds significant importance for quantum algorithm development, verification and validation. However, analysis of…

Quantum Physics · Physics 2024-05-03 Srikar Chundury , Jiajia Li , In-Saeng Suh , Frank Mueller

In this study, we introduce a novel open-source chemistry model for OpenFOAM to speed-up the reactive computational fluid dynamics (CFD) simulations using finite-rate chemistry. First, a dynamic load balancing model called DLBFoam is…

Computational Engineering, Finance, and Science · Computer Science 2021-12-14 Bulut Tekgül , Heikki Kahila , Petteri Peltonen , Mahmoud Gadalla , Ossi Kaario , Ville Vuorinen

Hardware/Software (HW/SW) co-designed processors provide a promising solution to the power and complexity problems of the modern microprocessors by keeping their hardware simple. Moreover, they employ several runtime optimizations to…

Hardware Architecture · Computer Science 2021-03-01 Rakesh Kumar , Alejandro Martinez , Antonio Gonzalez

Current AI training infrastructure is dominated by single instruction multiple data (SIMD) and systolic array architectures, such as Graphics Processing Units (GPUs) and Tensor Processing Units (TPUs), that excel at accelerating parallel…

Neural and Evolutionary Computing · Computer Science 2023-11-09 Jan Finkbeiner , Thomas Gmeinder , Mark Pupilli , Alexander Titterton , Emre Neftci

In this study, we focus on the modelling of coupled systems of shallow water flows and solute transport with source terms due to variable topography and friction effect. Our aim is to propose efficient and accurate numerical techniques for…

Numerical Analysis · Mathematics 2021-10-12 Amine Hanini , Abdelaziz Beljadid , Driss Ouazar

Stokesian Dynamics (SD) is a powerful computational framework for simulating the motion of particles in a viscous Newtonian fluid under Stokes-flow conditions. Traditional SD implementations can be computationally expensive as they rely on…

Fluid Dynamics · Physics 2025-07-02 Kim William Torre , Raoul D. Schram , Joost de Graaf
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