Dataset for General-Purpose Coarse-Grained Toughened Thermoset Model for 44DDS/DGEBA/PES
Summary & Purpose
Utilizing atomistic solubility data and an open-source dynamic bonding plugin for HOOMD-Blue, we predict glass transition temperatures for toughened epoxy thermosets cured to arbitrary degree of cure. We validate the coarse-grained model against experimental glass transition, gel-point, and morphology data. We outline the steps to parameterizing the forcefield and kinetic parameters that define the model. We also demonstrate that finite size effects must be considered when predicting microstructure and glass transition temperatures.
Date of Publication or Submission
10-1-2020
DOI
10.18122/cme_lab/6/boisestate
Funding Citation
This material is based upon work supported by The Boeing Company under contract BRT-LO217-0072.
This material is based upon work supported by the National Science Foundation under Grant No. 1229709.
MMH was supported by a NASA Idaho Space Grant Consortium fellowship, which is funded by NASA (NNX15Ai04H)
Single Dataset or Series?
Series
Data Format
*.png: portable network graphic; *.txt: text file; *.gsd: general simulation data; *.hoomdxml: hoomd extensible markup language; *.log: text file; *.json: javascript object notation; *.dcd: single precision binary FORTRAN files; *.tga: a raster graphics file format
Data Attributes
This repository (currently private) will contain all of the analysis code to work the raw data we are uploading. This repository will also explain how the data was generated.
https://gitlab.com/bsu/cme-lab/papers/epoxy-tg-paper/notebooks-for-paper
Privacy and Confidentiality Statement
Boise State is explicitly compliant with federal and state laws surrounding data privacy including the protection of personal financial information through the Gramm-Leach-Bliley Act, personal medical information through HIPAA, HITECH and other regulations. All human subject data (e.g., surveys) has been collected and managed only by personnel with adequate human subject protection certification.
Use Restrictions
Users are free to share, copy, distribute and use the dataset; to create or produce works from the dataset; to adapt, modify, transform and build upon the dataset as long as the user attributes any public use of the dataset, or works produced from the dataset, referencing the author(s) and DOI link. For any use or redistribution of the dataset, or works produced from it, the user must make clear to others the license of the dataset and keep intact any notices on the original dataset.
Disclaimer of Warranty
BOISE STATE UNIVERSITY MAKES NO REPRESENTATIONS ABOUT THE SUITABILITY OF THE INFORMATION CONTAINED IN OR PROVIDED AS PART OF THE SYSTEM FOR ANY PURPOSE. ALL SUCH INFORMATION IS PROVIDED "AS IS" WITHOUT WARRANTY OF ANY KIND. BOISE STATE UNIVERSITY HEREBY DISCLAIMS ALL WARRANTIES AND CONDITIONS WITH REGARD TO THIS INFORMATION, INCLUDING ALL WARRANTIES AND CONDITIONS OF MERCHANTABILITY, WHETHER EXPRESS, IMPLIED OR STATUTORY, FITNESS FOR A PARTICULAR PURPOSE, TITLE AND NON-INFRINGEMENT.
IN NO EVENT SHALL BOISE STATE UNIVERSITY BE LIABLE FOR ANY SPECIAL, INDIRECT OR CONSEQUENTIAL DAMAGES OR ANY DAMAGES WHATSOEVER RESULTING FROM LOSS OF USE, DATA OR PROFITS, WHETHER IN AN ACTION OF CONTRACT, NEGLIGENCE OR OTHER TORTIOUS ACTION, ARISING OUT OF OR IN CONNECTION WITH THE USE OR PERFORMANCE OF INFORMATION AVAILABLE FROM THE SYSTEM.
THE INFORMATION PROVIDED BY THE SYSTEM COULD INCLUDE TECHNICAL INACCURACIES OR TYPOGRAPHICAL ERRORS. CHANGES ARE PERIODICALLY ADDED TO THE INFORMATION HEREIN. COMPANY AND/OR ITS RESPECTIVE SUPPLIERS MAY MAKE IMPROVEMENTS AND/OR CHANGES IN THE PRODUCT(S) AND/OR THE PROGRAM(S) DESCRIBED HEREIN AT ANY TIME, WITH OR WITHOUT NOTICE TO YOU.
BOISE STATE UNIVERSITY DOES NOT MAKE ANY ASSURANCES WITH REGARD TO THE ACCURACY OF THE RESULTS OR OUTPUT THAT DERIVES FROM USE OF THE SYSTEM.
Recommended Citation
Henry, Michael M.; Thomas, Stephen; Alberts, Mone't; Reynolds, Carla E.; Farmer, Brittan A.; McNair, Olivia; and Jankowski, Eric, "Dataset for General-Purpose Coarse-Grained Toughened Thermoset Model for 44DDS/DGEBA/PES" (2020). Computational Materials Engineering Laboratory. 6.
https://scholarworks.boisestate.edu/cme_lab/6
Comments
Due to the size of this dataset's component files, if you would prefer to access this data via Globus, please email ScholarWorks@boisestate.edu.