Published February 27, 2023 | Version Version 1.0
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Polymorphism and Perfection in Crystallization of Hard Sphere Polymers

Creators

  • 1. ISOM & ETSII, UPM

Description

Data archive corresponding to the publications "Polymorphism and Perfection in Crystallization of Hard Sphere Polymers" by M. Herranz et al., Polymers 14, 4435 (2022); DOI: https://doi.org/10.3390/polym14204435

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 (239.7 MB)

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md5:33f81d7a6ca0762e1886f2a9672ae79c
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md5:a519113001858f70b7c9699d79b5c9be
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Additional details

Related works

Compiles
Journal article: 10.3390/polym14204435 (DOI)
Is described by
Journal article: 10.3390/ijms222212464 (DOI)
Journal article: 10.3390/cryst10111008 (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
  • Herranz, M.; Foteinopoulou, K.; Karayiannis, N.C.; Laso, M. Polymorphism and Perfection in Crystallization of Hard Sphere Polymers. Polymers 2022, 14, 4435. https://doi.org/10.3390/polym14204435