This documentation file was generated on 2020-01-27 by Kyle Niemeyer. ------------------- # GENERAL INFORMATION ------------------- 1. Title of Dataset Direct numerical simulation results for turbulent hydrogen/air flame: mixture-averaged diffusion model 2. Creator Information Name: Fillo, Aaron J. Institution: Oregon State University College, School or Department: School of Mechanical, Industrial, and Manufacturing Engineering Address: Corvallis, OR, USA Email: filloa@oregonstate.edu ORCID: 0000-0003-0740-4086 Role: Methodology, Software, Investigation, Writing - Original Draft Name: Schlup, Jason Institution: California Institute of Technology College, School or Department: Graduate Aerospace Laboratories Address: Pasadena, CA, USA Email: jason.schlup@gmail.com ORCID: 0000-0002-3121-3477 Role: Resources, Writing - Review & Editing Name: Beardsell, Guillaume Institution: California Institute of Technology College, School or Department: Department of Mechanical Engineering Address: Pasadena, CA, USA Email: gbeardse@caltech.edu ORCID: 0000-0001-7138-488X Role: Resources, Writing - Review & Editing Name: Blanquart, Guillaume Institution: California Institute of Technology College, School or Department: Department of Mechanical Engineering Address: Pasadena, CA, USA Email: g.blanquart@caltech.edu ORCID: 0000-0002-5074-9728 Role: Conceptualization, Writing - Review & Editing, Supervision Name: Niemeyer, Kyle E. Institution: Oregon State University College, School or Department: School of Mechanical, Industrial, and Manufacturing Engineering Address: Corvallis, OR, USA Email: kyle.niemeyer@oregonstate.edu ORCID: 0000-0003-4425-7097 Role: Conceptualization, Writing - Review & Editing, Supervision 3. Collaborator information n/a 3. Contact Information Name: Kyle Niemeyer Institution: Oregon State University College, School or Department: School of Mechanical, Industrial, and Manufacturing Engineering Address: Corvallis, OR, USA Email: kyle.niemeyer@oregonstate.edu ORCID: 0000-0003-4425-7097 ------------------- CONTEXTUAL INFORMATION ------------------- 1. Abstract for the dataset This data contains results from direct numerical simulations of three-dimensional, premixed, hydrogen/air flames, using the mixture-averaged diffusion model. We performed the simulations using the finite-difference code NGA; simulation details are described completely in the associated article. 2. Context of the research project that this dataset was collected for. This dataset was generated using direct numerical simulations of premixed, hydrogen/air turbulent, to study the differences between the multicomponent and mixture-averaged models for mass diffusion. These results were discussed in this article: Fillo, A. J., Schlup, J., Beardsell, G., Blanquart, G., & Niemeyer, K. E. (2020). A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations. Journal of Computational Physics, 406, 109185. http://doi.org/10.1016/j.jcp.2019.109185 3. Date of data collection: 2017-2019 4. Geographic location of data collection: n/a 5. Funding sources that supported the collection of the data: This research used resources of the National Energy Research Scientific Computing Center (NERSC), a U.S. Department of Energy Office of Science User Facility operated under Contract No. DE-AC02-05CH11231. This material is based upon work supported by the National Science Foundation under Grant Nos. 1314109-DGE and CBET-1832548. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Data: Data is not under copyright, and licensed under a Creative Commons No Rights Reserved (CC0) license. http://creativecommons.org/publicdomain/zero/1.0/ Code: This work is under copyright, and licensed under a BSD 3 license. See the LICENSE.txt text attached to the dataset for the text of the license. 2. Links to publications related to the dataset: Figures, plotting scripts, and processed data associated with article using this dataset: Fillo, Aaron J., Schlup, Jason, Beardsell, Guillaume, Blanquart, Guillaume, & Niemeyer, Kyle E. (2019). Figures, plotting scripts, and data for "A fast, low-cost, and stable memory algorithm for implementing multicomponent transport in direct numerical simulations" [Data set]. Zenodo. http://doi.org/10.5281/zenodo.3470324 Preprint of article describing this dataset: [1808.05463] Aaron J. Fillo, Jason Schlup, Guillaume Beardsell, Guillaume Blanquart, Kyle E. Niemeyer (2019) A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations. Retrieved December 6, 2019, from https://arxiv-org.ezproxy.proxy.library.oregonstate.edu/abs/1808.05463 Fillo, A. J., Schlup, J., Beardsell, G., Blanquart, G., & Niemeyer, K. E. (2020). A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations. Journal of Computational Physics, 406, 109185. http://doi.org/10.1016/j.jcp.2019.109185 3. Links to other publicly accessible locations of the data: n/a 4. Recommended citation for the data: Fillo, A.J., Schlup, J., Beardsell, G., Blanquart, G., Niemeyer, K. (2019). Direct numerical simulation results for turbulent hydrogen/air flame: multicomponent diffusion model (Version 1) [Data set]. Oregon State University. https://doi.org/10.7267/2f75rf80s 5. Dataset Digital Object Identifier (DOI) https://doi.org/10.7267/c247f0072 6. Limitations to reuse None -------------------------- VERSIONING AND PROVENANCE -------------------------- 1. Last modification date 2019-10-03 2. Links/relationships to other versions of this dataset: n/a 3. Was data derived from another source? Yes; this dataset was generated by the software NGA, which is not currently available openly. 4. Additional related data collected that was not included in the current data package: n/a -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Description of methods used for collection/generation of data: Detailed description of how the dataset was generated: Fillo, A. J., Schlup, J., Beardsell, G., Blanquart, G., & Niemeyer, K. E. (2020). A fast, low-memory, and stable algorithm for implementing multicomponent transport in direct numerical simulations. Journal of Computational Physics, 406, 109185. http://doi.org/10.1016/j.jcp.2019.109185 Further description of the software that produced the data: Desjardins, O., Blanquart, G., Balarac, G., & Pitsch, H. (2008). High order conservative finite difference scheme for variable density low Mach number turbulent flows. Journal of Computational Physics, 227(15), 7125–7159. http://doi.org/10.1016/j.jcp.2008.03.027 Savard, B., Xuan, Y., Bobbitt, B., & Blanquart, G. (2015). A computationally-efficient, semi-implicit, iterative method for the time-integration of reacting flows with stiff chemistry. Journal of Computational Physics, 295, 740–769. http://doi.org/10.1016/j.jcp.2015.04.018 2. Methods for processing the data: n/a, data were generated directly by the method described above 3. Instrument- or software-specific information needed to interpret the data: Software script for reading data using Matlab is included. 4. Standards and calibration information, if appropriate: n/a 5. Environmental/experimental conditions: n/a 6. Describe any quality-assurance procedures performed on the data: n/a 7. People involved with sample collection, processing, analysis and/or submission: n/a --------------------- DATA & FILE OVERVIEW --------------------- This dataset has two parts: A. Matlab scripts: These Matlab scripts are used to read the NGA output binary files. Filenames and locations may need to be changed. B. NGA output binary files: these files can be downloaded following the instructions below. 1. File List for Matlab scripts A. Filename: NGA_grid_reader.m Short description: Utility used to process information about the finite-difference grid/mesh. B. Filename: NGAdatareader_large.m Short description: Reads binary files, extracting the data specified. C. Filename: NGAdatareader.m Short description: Reads the entire binary files; only useful for 1D datasets due to the associated memory requirements. D. Filename: threeD_turb_contours.m Short description: Matlab script that makes a two-dimensional contour plot corresponding to a slice from a 3D domain. E. Filename: twoD_cart_contours.m Short description: Matlab script that makes a two-dimensional contour plot for a snapshot from a 2D domain. 2. File list for NGA output binary files: A. Filename: data_noTD_x.xxxE-xx Short description: These files contain the velocity, pressure, and scalar fields, in the order U, V, W, P, RHO, dRHO, N2, H, O2, O, OH, H2, H2O, HO2, H2O2, T, at time x.xxxE-xx seconds. B. Filename: input_mixav Short description: Required input file for NGA, containing user-defined parameters for controlling the simulation. C. Filename: config Short description: Configuration file for NGA, contains the information about the computational grid such as position of grid points, periodicity, whether Cartesian or cylindrical coordinates are used, etc; necessary input for NGA. D. Filename: data_1.380E-02 Short description: Initial data file, containing the initial velocity, pressure, and scalar fields, in the order U, V, W, P, RHO, dRHO, N2, H, O2, O, OH, H2, H2O, HO2, H2O2, T; necessary input for NGA. E. Filename: chem.bin Short description: Binary file containing a Chemkin-format description of the chemical kinetic model, necessary input for NGA. F. Filename: tran.bin Short description: Binary file containing a Chemkin-format description of the kinetic model transport data, necessary input for NGA. G. Filename: matcon.dat Short description: Necessary input file containing parameters used to calculate turbulent flame area. H. Filename: inflow_newgen_const415Uadded Short description: File containing the upstream turbulent inflow velocities, necessary input for NGA. K. Filename: monitor_#/ Short description: Folders containing less-frequent monitor files of useful output quantities, such as turbulent flame speed. L. Filename: Condmean_gradX_on_T Short description: Files containing computed means of quantity "X" (e.g., species mass fraction, temperature) conditioned on temperature. M. Filename: post.f90 Short description: Fortran postprocessing file used to calculate conditional means. 3. Other files A. Filename: LICENSE.txt Short description: Text of the BSD 3 license that the Matlab code is released under. B. Filename: Dataset_Niemeyer_c247f0072.torrent Short description: torrent file to download the NGA output binary files. 4. Relationship between files: All files were generated by a single run, over some time period, of the code NGA, with input files included in the dataset. 5. Formats Binary and plaintext. Binary files are read by the associated Matlab scripts. ----------------------------------------- INSTRUCTIONS FOR DOWNLOADING LARGE DATASETS ----------------------------------------- This record includes a 482 GB dataset. This dataset is particularly large. A normal web download is prone to download failures and slow delivery. In order to make large datasets available in a way that ensure that your requested data will be delivered to you in a way that reduces the impact on servers and the network, we have chosen to distribute large datasets using the BitTorrent protocol. BitTorrent, in essence, splits the file into smaller pieces, distributes the smaller pieces to you, and then reconstructs them to recreate the whole - all in a way that reduces impact on our computer networks. In addition, each “piece” of the file carries a marker that helps verify the validity and integrity of the final file. The link to the file you seek is actually a link to the torrent file for the dataset (FILE Dataset_Niemeyer_c247f0072.torrent). This torrent file can be loaded to a torrent client, at which point the process of retrieving and reconstructing the dataset will commence. The download will take some time, but large data is hard to move - go grab some coffee, or set this running when you leave the office for the night. We recommend uTorrent (http://www.utorrent.com/) as a torrent client, but any client will do. For more information: http://osulibrary.oregonstate.edu/bittorrent-guide If you encounter any problems downloading the data, do not contact the authors. Contact ScholarsArchive@OSU through the contact form at https://ir.library.oregonstate.edu/contact ----------------------------------------- CODE-SPECIFIC INFORMATION: ----------------------------------------- 1. Installation n/a 2. Requirements Matlab