Published January 20, 2023
| Version Version 1.0
Dataset
Open
Data Archive: Local and Global Order in Dense Packings of Semiflexible Polymers of Hard Spheres
Creators
- 1. ISOM&ETSII, UPM
Description
Data archive corresponding to the publication "Local and Global Order in Dense Packings of Semi-flexible 2 Polymers of Hard Spheres" by D. Martinez-Fernandez et al., Polymers 15, 551 (2023); DOI: https://doi.org/10.3390/polym15030551.
Please see README.txt for instructions on how to access and read the files from the crystallographic analysis based on the CCE norm descriptor.
All snapshots have been generated and successively analyzed by the Simu-D software.
Notes
This research was funded by MICINN/FEDER (Ministerio de Ciencia, Innovación y Universidades, Fondo Europeo de Desarrollo Regional), grant numbers "RTI2018-097338-B-I00" and "PID2021-127533NB-I00" and by UPM and Santander Bank, "Programa Propio UPM Santander"
Files
CCE_DATA.zip
Files
(857.6 MB)
| Name | Size | Download all |
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md5:0aa9815a41194fe5bd3686e024b83087
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857.6 MB | Preview Download |
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md5:48a950de55579710f4bd3bfe43da2b90
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2.0 kB | Preview Download |
Additional details
Related works
- Is described by
- Journal article: 10.3390/ijms222212464 (DOI)
- Journal article: 10.3390/cryst10111008 (DOI)
- Is part of
- Journal article: 10.3390/polym15030551 (DOI)
References
- Ramos, P.M.; Herranz, M.; Foteinopoulou, K.; Karayiannis, N.C.; Laso, M. Identification of Local Structure in 2-D and 3-D Atomic Systems through Crystallographic Analysis. Crystals 2020, 10, 1008. https://doi.org/10.3390/cryst10111008
- Herranz, M.; Martínez-Fernández, D.; Ramos, P.M.; Foteinopoulou, K.; Karayiannis, N.C.; Laso, M. Simu-D: A Simulator-Descriptor Suite for Polymer-Based Systems under Extreme Conditions. Int. J. Mol. Sci. 2021, 22, 12464. https://doi.org/10.3390/ijms222212464
- Martínez-Fernández, D.; Herranz, M.; Foteinopoulou, K.; Karayiannis, N.C.; Laso, M. Local and Global Order in Dense Packings of Semi-flexible Polymers of Hard Spheres. Polymers 2023, 15, 551. https://doi.org/10.3390/polym15030551