The NARSTO_EPA_SS_BALTIMORE_JHU_MET_DATA is the North American Research Strategy for Tropospheric Ozone (NARSTO) Environmental Protection Agency (EPA) Supersite (SS) Baltimore, Johns Hopkins University Meteorolgical Data product. This product containsmeteorological and turbulence measurements that were recorded using a diverse array of instruments by the Parlange Environmental Fluid Mechanics Group, Department of Geography and Environmental Engineering, JHU at the EPA Baltimore Supersite. Measurements were made at three Baltimore locations over the indicated time intervals: FMC Corporation (May 26 - June 15, 2001), Clifton Park (July 1 - September 14, 2001), and Ponca Street (February 13, 2002 - March 15, 2003).The instruments were mounted on an 11m tall meteorological tower on the site. The instrumentation consisted of a 3d sonic anemometer-thermometer, pyranometer, wind vane, tipping bucket rain collector, 2 cup anemometers, temperature and relative humidity probe and pressure sensor. The data were collected on a continuous basis and were subsequently subjected to multiple cycles of data validation to ensure correctness and accuracy. The validated data was then averaged over a 5 minute interval to create the final data set. The data set is organized to provide a unique data file for any given day within the operating time duration. Each file contains the variables temperature, relative humidity, mean horizontal wind speed (at 10.39m), horizontal resultant vector mean wind speed, mean horizontal wind speed (at 5.87m), mean horizontal wind angle, std deviation of the wind angle, precipitation, friction velocity, Obukhov length, sensible vertical heat flux, solar radiation, atmospheric pressure, virtual potential temperature, specific humidity and wind angle from sonic anemometer. In addition to usual meteorological variables, this data set also provides information on turbulent mixing (parameterized by the friction velocity) and atmospheric stability (parameterized by the Obukhov length). The Baltimore Supersite collected high-quality ambient air quality measurements with unprecedented temporal resolution at an industrially influenced urban site and two intensive measurement campaigns. A data set of project results was constructed to take advantage of advanced multivariate statistical techniques. Data were collected on the sources and nature of organic aerosol for the region, and large quantities of urban particulate matter (PM) were collected for retrospective chemical, physical, and biological analyses and for toxicological testing. These data provided important information on the potential health effects of particles to support exposure and epidemiological studies for enhanced evaluation of health outcome, pollutant, and source relationships. The EPA PM Supersites Program was an ambient air monitoring research program designed to provide information of value to the atmospheric sciences, and human health and exposure research communities. Eight geographically diverse projects were chosen to specifically address the following EPA research priorities: (1) to characterize PM, its constituents, precursors, co-pollutants, atmospheric transport, and its source categories that affect the PM in any region; (2) to address the research questions and scientific uncertainties about PM source-receptor and exposure-health effects relationships; and (3) to compare and evaluate different methods of characterizing PM including testing new and emerging measurement methods.NARSTO, which has since disbanded, was a public/private partnership, whose membership spanned across government, utilities, industry, and academe throughout Mexico, the United States, and Canada. The primary mission was to coordinate and enhance policy-relevant scientific research and assessment of tropospheric pollution behavior; activities provide input for science-based decision-making and determination of workable, efficient, and effective strategies for local and regional air-pollution management. Data products from local, regional, and international monitoring and research programs are still available.

We generate Uniform flow and Beltrami flow using computational fluid dynamics (CFD), and extracting other flow from the Johns Hopkins Turbulence Database.We further extend it to a time-resolved setting, where each sample consists of ten particle frames and nine corresponding ground-truth flow fields.TR-Flow3D is generated by an exhaustive combination of parameters listed in this table, ultimately yielding 19,500 training samples and 1,950 testing samples.

The NARSTO_EPA_SS_BALTIMORE_JHU_MET_DATA is the North American Research Strategy for Tropospheric Ozone (NARSTO) Environmental Protection Agency (EPA) Supersite (SS) Baltimore, Johns Hopkins University Meteorolgical Data product. This product containsmeteorological and turbulence measurements that were recorded using a diverse array of instruments by the Parlange Environmental Fluid Mechanics Group, Department of Geography and Environmental Engineering, JHU at the EPA Baltimore Supersite. Measurements were made at three Baltimore locations over the indicated time intervals: FMC Corporation (May 26 - June 15, 2001), Clifton Park (July 1 - September 14, 2001), and Ponca Street (February 13, 2002 - March 15, 2003).The instruments were mounted on an 11m tall meteorological tower on the site. The instrumentation consisted of a 3d sonic anemometer-thermometer, pyranometer, wind vane, tipping bucket rain collector, 2 cup anemometers, temperature and relative humidity probe and pressure sensor. The data were collected on a continuous basis and were subsequently subjected to multiple cycles of data validation to ensure correctness and accuracy. The validated data was then averaged over a 5 minute interval to create the final data set. The data set is organized to provide a unique data file for any given day within the operating time duration. Each file contains the variables temperature, relative humidity, mean horizontal wind speed (at 10.39m), horizontal resultant vector mean wind speed, mean horizontal wind speed (at 5.87m), mean horizontal wind angle, std deviation of the wind angle, precipitation, friction velocity, Obukhov length, sensible vertical heat flux, solar radiation, atmospheric pressure, virtual potential temperature, specific humidity and wind angle from sonic anemometer. In addition to usual meteorological variables, this data set also provides information on turbulent mixing (parameterized by the friction velocity) and atmospheric stability (parameterized by the Obukhov length). The Baltimore Supersite collected high-quality ambient air quality measurements with unprecedented temporal resolution at an industrially influenced urban site and two intensive measurement campaigns. A data set of project results was constructed to take advantage of advanced multivariate statistical techniques. Data were collected on the sources and nature of organic aerosol for the region, and large quantities of urban particulate matter (PM) were collected for retrospective chemical, physical, and biological analyses and for toxicological testing. These data provided important information on the potential health effects of particles to support exposure and epidemiological studies for enhanced evaluation of health outcome, pollutant, and source relationships. The EPA PM Supersites Program was an ambient air monitoring research program designed to provide information of value to the atmospheric sciences, and human health and exposure research communities. Eight geographically diverse projects were chosen to specifically address the following EPA research priorities: (1) to characterize PM, its constituents, precursors, co-pollutants, atmospheric transport, and its source categories that affect the PM in any region; (2) to address the research questions and scientific uncertainties about PM source-receptor and exposure-health effects relationships; and (3) to compare and evaluate different methods of characterizing PM including testing new and emerging measurement methods.NARSTO, which has since disbanded, was a public/private partnership, whose membership spanned across government, utilities, industry, and academe throughout Mexico, the United States, and Canada. The primary mission was to coordinate and enhance policy-relevant scientific research and assessment of tropospheric pollution behavior; activities provide input for science-based decision-making and determination of workable, efficient, and effective strategies for local and regional air-pollution management. Data products from local, regional, and international monitoring and research programs are still available.

This is the dataset and software supporting the study Theory of flow-induced covalent polymer mechanochemistry in dilute solutions by Etienne Rognin, Niamh Willis-Fox, Ronan Daly, Institute for Manufacturing, Department of Engineering, University of Cambridge, 17 Charles Babbage Road, Cambridge CB3 0FS, United Kingdom.

Contents

Main file ^^^^^^^^^

Use the Jupyter Notebook Supporting information.ipynb to run the data analysis and recreate the figures of the paper.

Alternatively, open Supporting information.pdf to view the notebook outputs in a PDF reader without having to install and run the scripts.

Raw data ^^^^^^^^

The folder bead-rod_dataset contains the results of bead-rod model simulations. For each simulation there is binary Python .npz file containing the data, and a text .json file containing metadata (such as date of the simulation, parameters...)

The data is imported using np.load function which creates a Python dictionary for each simulation file. This dictionary contains the following labels:

1. t the time axis.
2. gradU the time series of velocity gradients used as forcing terms in the bead-rod simulation.
3. g_max the time series of the maximum tensile force, for each molecule of the simulation ensemble.
4. i_max the time series of the positions of the maximum force in the chain (not used in this study)
5. g_12 the time series of the tensile force at the center of the chain, for each molecule.
6. A_average the time series of the average conformation tensor (second-order moment of the end-to-end vector). Used in section 4 for model validation.

Note that the bead-rod algorithm and dimension normalization are described in a previous study (see Rognin et al. https://www.repository.cam.ac.uk/bitstream/1810/279443/1/multiscale_revision_clean.pdf)

Other ^^^^^

The notebook JHTD_turbulence.ipynb has been used to extract data from the Johns Hopkins Turbulence Databases and is provided here for illustrative purposes only (it is not necessary to run this file).

License

CC-BY-4.0

To view the full license, visit: https://creativecommons.org/licenses/by/4.0/legalcode

Installation

In the target directory, clone this repository::

git clone https://github.com/etiennerognin/flowmechanochem_dataset.git

Usage

Run the notebook Supporting information.ipynb (you will need to have Jupyter installed, see https://jupyter.org/). The Python distribution will need to have packages listed in requirements.txt.