This readme.txt file was generated on 20220805 by Tomoya_Tamadate. ------------------- GENERAL INFORMATION ------------------- 1. Title of Dataset Silicon nanocluster anion-argon cation recombination via hybrid continuum-molecular dynamics calculations 2. Author Information Principal Investigator Contact Information Name: Christopher J. Hogan Jr. Institution: University of Minnesota Address: Department of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55455, USA Email: hogan108@umn.edu ORCID: 0000-0001-7655-4980 Associate or Co-investigator Contact Information Name: Tomoya Tamadate Institution: University of Minnesota Address: Department of Mechanical Engineering, University of Minnesota, Minneapolis, MN 55455, USA Email: tamad005@umn.edu ORCID: 0000-0000-0000-0000 3. Date of data collection Approximate date: 20201101-20211231 4. Geographic location of data collection (where was data collected?): The University of Minnesota 5. Information about funding sources that supported the collection of the data: This work was supported by US National Science Foundation Award 2002852 and US Department of Energy Award SC0022242. -------------------------- SHARING/ACCESS INFORMATION -------------------------- 1. Licenses/restrictions placed on the data: Attribution-NonCommercial 3.0 United States 2. Links to publications that cite or use the data: https://doi.org/10.1016/j.jaerosci.2022.105994 3. Links to other publicly accessible locations of the data: NA 4. Links/relationships to ancillary data sets: NA 5. Was data derived from another source? No 6. Recommended citation for the data: Tamadate, Tomoya; Hogan, Christopher J. (2022). Silicon nanocluster anion-argon cation recombination via hybrid continuum-molecular dynamics calculations". Retrieved from the Data Repository for the University of Minnesota, XXX --------------------- DATA & FILE OVERVIEW --------------------- 1. File List A. Filename: Figure2.zip Short description: Data for Figure 2. In the file name Si_50_z1_*.dat, * means pressure. 1st column is x-axis and 4th column is y-axis. B. Filename: Figure3.zip Short description: Data for Figure 3. The simulation data is in files *wg_1.dat, where * means number of Si. 1st column is x-axis and 4th column is y-axis. The theory lines is in files Fuchs_theory_*.dat, where * means collision distance. 1st column is x-axis and y-axis is 3rd, 5th, 6th, and 7th columns for Fuchs, free molecular limit, C&G, and continuum limit lines. C. Filename: Figure4.zip Short description: Data for Figure 3. The simulation data is in files *wg_2.dat, where * means number of Si. 1st column is x-axis and 4th column is y-axis. The theory lines is in files Fuchs_theory_*.dat, where * means collision distance. 1st column is x-axis and y-axis is 3rd, 5th, 6th, and 7th columns for Fuchs, free molecular limit, C&G, and continuum limit lines. D. Filename: Figure5.zip Short description: Raw data for Figure 5. 50.dat & Si_50_Kbar.dat are for (a) and Energy.dat is for (b). E. Filename: Figure6.zip Short description: Raw data for Figure 6. In chargeDistribution-1e5-*-#-.dat, # is the number of Si and * is Fuchs or CG or MD. The files contain only yaxis and xaxis is [-7,-6,-5...7]. F. Filename: Figure7.zip Short description: Raw data for Figure 6. In chargeDistribution-1e35-*-#-.dat, # is the number of Si and * is Fuchs or CG or MD. The files contain only yaxis and xaxis is [-7,-6,-5...7]. G. Filename: SFigure1.zip Short description: Raw data for Supplementary Figure 1. x-axis is 1st column and 2nd column is y-axis for (a) and 3rd is (b). 2. Are there multiple versions of the dataset? yes/no No -------------------------- METHODOLOGICAL INFORMATION -------------------------- 1. Instrument- or software-specific information needed to interpret the data: No