A load balanced chemistry model with analytical Jacobian for faster reactive simulations in OpenFOAM

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 introduced to balance the chemistry load during runtime in parallel simulations. In addition, the solution of the cell-based chemistry problem is improved by utilizing an analytical Jacobian using an open-source library called pyJac and an efficient linear algebra library LAPACK. Combination of the aforementioned efforts yields a speed-up factor 200 for a high-fidelity large-eddy simulation spray combustion case compared to the standard OpenFOAM implementation. It is worth noting that the present implementation does not compromise the solution accuracy.

[1]  Laura Antonelli,et al.  Dynamic Load Balancing for High-Performance Simulations of Combustion in Engine Applications , 2011, 2011 19th International Euromicro Conference on Parallel, Distributed and Network-Based Processing.

[2]  Tianfeng Lu,et al.  A compact skeletal mechanism for n-dodecane with optimized semi-global low-temperature chemistry for diesel engine simulations , 2017 .

[3]  Kyle E. Niemeyer,et al.  pyJac: Analytical Jacobian generator for chemical kinetics , 2016, Comput. Phys. Commun..

[4]  Jean Roman,et al.  SCOTCH: A Software Package for Static Mapping by Dual Recursive Bipartitioning of Process and Architecture Graphs , 1996, HPCN Europe.

[5]  K. Harms,et al.  Development of a Stiffness-Based Chemistry Load Balancing Scheme, and Optimization of Input/Output and Communication, to Enable Massively Parallel High-Fidelity Internal Combustion Engine Simulations , 2016 .

[6]  Robert J. Kee,et al.  On reduced mechanisms for methaneair combustion in nonpremixed flames , 1990 .

[7]  Mahmoud Gadalla,et al.  Large-Eddy Simulation of ECN Spray A: Sensitivity Study on Modeling Assumptions , 2020, Energies.

[8]  B. Tekgül,et al.  Large-eddy simulation of dual-fuel spray ignition at different ambient temperatures , 2020 .

[9]  F. Krogh,et al.  Solving Ordinary Differential Equations , 2019, Programming for Computations - Python.

[10]  Ed Anderson,et al.  LAPACK Users' Guide , 1995 .

[11]  C. Pérez-Segarra,et al.  A dynamic load balancing method for the evaluation of chemical reaction rates in parallel combustion simulations , 2019, Computers & Fluids.

[12]  S. Karimkashi,et al.  A numerical study on combustion mode characterization for locally stratified dual-fuel mixtures , 2020, Combustion and Flame.

[13]  Ossi Kaario,et al.  DLBFoam: An open-source dynamic load balancing model for fast reacting flow simulations in OpenFOAM , 2021, Comput. Phys. Commun..

[14]  Rolf D. Reitz,et al.  An Analytical Jacobian Approach to Sparse Reaction Kinetics for Computationally Efficient Combustion Modeling with Large Reaction Mechanisms , 2012 .

[15]  T. Poinsot,et al.  Theoretical and numerical combustion , 2001 .

[16]  O. Kaario,et al.  Large-eddy simulation of dual-fuel ignition: Diesel spray injection into a lean methane-air mixture , 2019, Combustion and Flame.

[17]  Oluwayemisi O. Oluwole,et al.  Accelerating multi-dimensional combustion simulations using GPU and hybrid explicit/implicit ODE integration , 2012 .

[18]  Gebräuchliche Fertigarzneimittel,et al.  V , 1893, Therapielexikon Neurologie.

[19]  Daniel L. Flowers,et al.  Faster solvers for large kinetic mechanisms using adaptive preconditioners , 2015 .

[20]  Carol S. Woodward,et al.  Enabling New Flexibility in the SUNDIALS Suite of Nonlinear and Differential/Algebraic Equation Solvers , 2020, ACM Trans. Math. Softw..

[21]  B. Tekgül,et al.  Large-eddy simulation of spray assisted dual-fuel ignition under reactivity-controlled dynamic conditions , 2021 .

[22]  P. Alam.  ‘W’ , 2021, Composites Engineering.

[23]  Gorjan Alagic,et al.  #p , 2019, Quantum information & computation.

[24]  Tsuyoshi Murata,et al.  {m , 1934, ACML.

[25]  D. Haworth,et al.  On the merits of extrapolation-based stiff ODE solvers for combustion CFD , 2016 .