Data for "Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity"
Dataset Description |
This dateset contains data files necessary to replicate figures from "Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity" submitted to Atmospheric Chemistry and Physics. Within the compressed folder data.zip are two subdirectories, "processed_data" and "spatial-het". The "processed_data" directory contains netCDF files which contain a subset of simulation output used in figure generation. The "spatial-het" subdirectory contains a .csv file with spatial heterogeneity values computed via an exact algorithm of the spatial heterogeneity metric described by Mohebalhojeh et al. 2025. The subdirectory "sh-patterns" contains .csv files for each emissions scenario. Each entry corresponds to a single grid cell over a domain of dimension 100x100 (lateral resolution of the computational domain employed in this paper). Within scripts.zip are python notebooks for generating figures. Additional python modules are included which contain helper functions for notebooks. Furthermore, a Fortran version of the spatial heterogeneity metric is included alongside shells scripts for creating a python environment in which the code can be compiled and convert into a Python module. Note that the create_env.sh and compile_nsh.sh scripts must be run prior to executing cells in notebooks to make use of the spatial heterogeneity subroutines. *Note*: New in this V3: During review, a bug regarding vertical diffusion of particles was discovered in WRF-PartMC which necessitated re-running simulations. We present new simulations with diffusion fixed. Furthermore, we have run additional simulations in response to reviewer comments--simulations with emissions turned off at t = 4 h to investigate reversible partitioning and simulations with the RH raised near saturation throughout the domain to model the effects of co-condensation. The README PDF has been updated to reflect changes to the dataset collection. Also, we have added a shell script in scripts_v3.zip which was used to process simulation output and create the data subsets contained in data_v3.zip. Lastly, notebooks were re-run with updated datasets to create manuscript figures and additional plotting routines were added for new figures pertaining to the requested simulations. |
Subject |
Physical Sciences |
Keywords |
Atmospheric chemistry; aerosols; Particle-resolved modeling; spatial heterogeneity |
License |
CC0 |
Funder |
U.S. Department of Energy (DOE)-Grant:DE-SC0022130 |
Funder |
U.S. National Science Foundation (NSF)-Grant:AGS 19-41110 |
Corresponding Creator |
Samuel Frederick |
Downloaded |
5 times |
| Version | DOI | Comment | Publication Date |
|---|---|---|---|
| 3 | 10.13012/B2IDB-9622921_V3 | Adds numerous new datasets corresponding to simulations requested by reviewers, a shell script "generate_data_subsets.sh" in "scripts_v3.zip", and updated readme. | 2026-02-13 |
| 2 | 10.13012/B2IDB-9622921_V2 | Added one additional NC file to data.zip and minor updated to a python notebook in scripts.zip. Added a Readme in PDF to provide summary of the dataset. | 2025-09-29 |
| 1 | 10.13012/B2IDB-9622921_V1 | 2025-08-29 |
Contact the Research Data Service for help interpreting this log.
| Dataset | update: {"all_globus"=>[nil, true]} | 2026-02-14T13:03:14Z |
| Dataset | update: {"all_medusa"=>[nil, true]} | 2026-02-13T21:40:09Z |
| Dataset | update: {"publication_state"=>["version candidate under curator review", "released"], "release_date"=>[nil, Fri, 13 Feb 2026]} | 2026-02-13T21:25:55Z |
| Dataset | update: {"version_comment"=>["Adds numerous new datasets corresponding to simulations requested by reviewers, a shell script \"generate_data_subsets.sh\" in \"scripts_v3.zip\", and updated the readme.", "Adds numerous new datasets corresponding to simulations requested by reviewers, a shell script \"generate_data_subsets.sh\" in \"scripts_v3.zip\", and updated readme."]} | 2026-02-13T18:00:31Z |
| Dataset | update: {"version_comment"=>["Includes numerous new datasets corresponding to simulations requested by reviewers. Adds a shell script \"generate_data_subsets.sh\" and updates the readme.", "Adds numerous new datasets corresponding to simulations requested by reviewers, a shell script \"generate_data_subsets.sh\" in \"scripts_v3.zip\", and updated the readme."]} | 2026-02-12T21:26:02Z |
| RelatedMaterial | update: {"uri"=>[nil, ""], "uri_type"=>[nil, ""], "datacite_list"=>[nil, ""], "note"=>[nil, ""]} | 2026-02-12T21:23:11Z |
| RelatedMaterial | update: {"note"=>[nil, ""]} | 2026-02-12T21:23:11Z |
| RelatedMaterial | create: {"material_type"=>"Article", "availability"=>nil, "link"=>"https://doi.org/10.5194/egusphere-2025-4351", "uri"=>nil, "uri_type"=>nil, "citation"=>"Frederick, S. G., Mohebalhojeh, M., Curtis, J. H., West, M., and Riemer, N.: Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity, EGUsphere [preprint], https://doi.org/10.5194/egusphere-2025-4351, 2025.", "dataset_id"=>3298, "selected_type"=>"Article", "datacite_list"=>nil, "note"=>nil, "feature"=>nil} | 2026-02-11T22:33:05Z |
| Dataset | update: {"description"=>["This dateset contains data files necessary to replicate figures from \"Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity\" submitted to Atmospheric Chemistry and Physics. \r\n\r\nWithin the compressed folder data.zip are two subdirectories, \"processed_data\" and \"spatial-het\". The \"processed_data\" directory contains netCDF files which contain a subset of simulation output used in figure generation. The \"spatial-het\" subdirectory contains a .csv file with spatial heterogeneity values computed via an exact algorithm of the spatial heterogeneity metric described by Mohebalhojeh et al. 2025. The subdirectory \"sh-patterns\" contains .csv files for each emissions scenario. Each entry corresponds to a single grid cell over a domain of dimension 100x100 (lateral resolution of the computational domain employed in this paper). \r\n\r\nWithin scripts.zip are python notebooks for generating figures. Additional python modules are included which contain helper functions for notebooks. Furthermore, a Fortran version of the spatial heterogeneity metric is included alongside shells scripts for creating a python environment in which the code can be compiled and convert into a Python module. Note that the create_env.sh and compile_nsh.sh scripts must be run prior to executing cells in notebooks to make use of the spatial heterogeneity subroutines. \r\n\r\n<b>*Note*:</b> New in this V2: Following an initial review, an additional figure was requested, which required updates to both data.zip (adding one new NC file: no-heterogeneity_met-vars_subset.nc) and scripts.zip (a minor addition to a Python notebook). A README in PDF format has also been uploaded to provide a summary of the dataset.", "This dateset contains data files necessary to replicate figures from \"Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity\" submitted to Atmospheric Chemistry and Physics. \r\n\r\nWithin the compressed folder data.zip are two subdirectories, \"processed_data\" and \"spatial-het\". The \"processed_data\" directory contains netCDF files which contain a subset of simulation output used in figure generation. The \"spatial-het\" subdirectory contains a .csv file with spatial heterogeneity values computed via an exact algorithm of the spatial heterogeneity metric described by Mohebalhojeh et al. 2025. The subdirectory \"sh-patterns\" contains .csv files for each emissions scenario. Each entry corresponds to a single grid cell over a domain of dimension 100x100 (lateral resolution of the computational domain employed in this paper). \r\n\r\nWithin scripts.zip are python notebooks for generating figures. Additional python modules are included which contain helper functions for notebooks. Furthermore, a Fortran version of the spatial heterogeneity metric is included alongside shells scripts for creating a python environment in which the code can be compiled and convert into a Python module. Note that the create_env.sh and compile_nsh.sh scripts must be run prior to executing cells in notebooks to make use of the spatial heterogeneity subroutines. \r\n\r\n<b>*Note*:</b> New in this V2: Following an initial review, an additional figure was requested, which required updates to both data.zip (adding one new NC file: no-heterogeneity_met-vars_subset.nc) and scripts.zip (a minor addition to a Python notebook). A README in PDF format has also been uploaded to provide a summary of the dataset.\r\n\r\n<b>*Note*:</b> New in this V3: During review, a bug regarding vertical diffusion of particles was discovered in WRF-PartMC which necessitated re-running simulations. We present new simulations with diffusion fixed. Furthermore, we have run additional simulations in response to reviewer comments--simulations with emissions turned off at t = 4 h to investigate reversible partitioning and simulations with the RH raised near saturation throughout the domain to model the effects of co-condensation. The README PDF has been updated to reflect changes to the dataset collection. Also, we have added a shell script in scripts_v3.zip which was used to process simulation output and create the data subsets contained in data_v3.zip. Lastly, notebooks were re-run with updated datasets to create manuscript figures and additional plotting routines were added for new figures pertaining to the requested simulations."]} | 2026-02-11T22:33:05Z |
| Dataset | update: {"hold_state"=>["version candidate under curator review", "none"]} | 2026-02-11T19:05:13Z |
| Dataset | update: {"version_comment"=>[nil, "I would like to upload new versions of each of the files included in this dataset. These changes were made in response to revisions made to the corresponding manuscript during peer review. A bug in our simulations was discovered which required re-running simulations contained in the data directory (specifically, we discovered an issue with the representation of vertical diffusion for particles in the model WRF-PartMC). I've also updated scripts including analysis notebooks and shell scripts to reflect changes in the datasets and generation of new figures. \r\n\r\nFor version 3, I will be including numerous new datasets corresponding to simulations requested by reviewers. This includes runs with the vertical profile of relative humidity increased to near saturation and runs with emissions turned off mid way through simulations. In the scripts directory, I will be including a shell script \"generate_data_subsets.sh\" which extracts a subset of model output to create the datasets in the /data directory. I have also updated the readme (SH_CCN_impacts_publication_readme.pdf -> SH_CCN_impacts_publication_readme_v2.pdf) to reflect the addition of new datasets and the shell script. "]} | 2026-02-11T17:08:11Z |
| RelatedMaterial | create: {"material_type"=>"Dataset", "availability"=>nil, "link"=>"https://doi.org/10.13012/B2IDB-9622921_V2", "uri"=>"10.13012/B2IDB-9622921_V2", "uri_type"=>"DOI", "citation"=>"Frederick, Samuel; Mohebalhojeh, Matin; Curtis, Jeffrey; West, Matthew; Riemer, Nicole (2025): Data for \"Idealized Particle-Resolved Large-Eddy Simulations to Evaluate the Impact of Emissions Spatial Heterogeneity on CCN Activity\". University of Illinois Urbana-Champaign. https://doi.org/10.13012/B2IDB-9622921_V2", "dataset_id"=>3298, "selected_type"=>"Dataset", "datacite_list"=>"IsNewVersionOf", "note"=>nil, "feature"=>nil} | 2026-02-11T16:57:55Z |
| RelatedMaterial | create: {"material_type"=>"Code", "availability"=>nil, "link"=>"https://doi.org/10.5281/zenodo.16850290", "uri"=>"10.5281/zenodo.16850290", "uri_type"=>"DOI", "citation"=>"Frederick, S., Mohebalhojeh, M., Curtis, J., West, M., & Riemer, N. (2025). WRF-PartMC-MOSAIC-LES [Data set]. Zenodo. https://doi.org/10.5281/zenodo.16850290", "dataset_id"=>3298, "selected_type"=>"Code", "datacite_list"=>"IsSupplementedBy", "note"=>"", "feature"=>nil} | 2026-02-11T16:57:55Z |
| Funder | create: {"name"=>"U.S. National Science Foundation (NSF)", "identifier"=>"10.13039/100000001", "identifier_scheme"=>"DOI", "grant"=>"AGS 19-41110", "dataset_id"=>3298, "code"=>"NSF"} | 2026-02-11T16:57:54Z |
| Funder | create: {"name"=>"U.S. Department of Energy (DOE)", "identifier"=>"10.13039/100000015", "identifier_scheme"=>"DOI", "grant"=>"DE-SC0022130", "dataset_id"=>3298, "code"=>"DOE"} | 2026-02-11T16:57:54Z |
| Creator | create: {"family_name"=>"Riemer", "given_name"=>"Nicole", "identifier"=>"0000-0002-3220-3457", "email"=>"nriemer@illinois.edu", "is_contact"=>false, "row_position"=>5} | 2026-02-11T16:57:54Z |
| Creator | create: {"family_name"=>"West", "given_name"=>"Matthew", "identifier"=>"0000-0002-7605-0050", "email"=>"mwest@illinois.edu", "is_contact"=>false, "row_position"=>4} | 2026-02-11T16:57:54Z |
| Creator | create: {"family_name"=>"Curtis", "given_name"=>"Jeffrey", "identifier"=>"0000-0002-1447-2127", "email"=>"jcurtis2@illinois.edu", "is_contact"=>false, "row_position"=>3} | 2026-02-11T16:57:54Z |
| Creator | create: {"family_name"=>"Mohebalhojeh", "given_name"=>"Matin", "identifier"=>"", "email"=>"matinm2@illinois.edu", "is_contact"=>false, "row_position"=>2} | 2026-02-11T16:57:54Z |
| Creator | create: {"family_name"=>"Frederick", "given_name"=>"Samuel", "identifier"=>"0000-0002-3552-1063", "email"=>"sf20@illinois.edu", "is_contact"=>true, "row_position"=>1} | 2026-02-11T16:57:54Z |
| Dataset | update: {"corresponding_creator_name"=>[nil, "Samuel Frederick"], "corresponding_creator_email"=>[nil, "sf20@illinois.edu"]} | 2026-02-11T16:57:54Z |