Published May 30, 2023 | Version version 1.0
Dataset Open

Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation

Authors/Creators

  • 1. ISOM& ETSII, UPM

Description

Data archive corresponding to the manuscript "Fine-Tuning of Colloidal Polymer Crystals by Molecular Simulation" by M. Herranz et al., Phys. Rev. E 107,  064605 (2023); DOI: 10.1103/PhysRevE.107.064605

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 (4.1 MB)

Name Size Download all
md5:73633ce464e0715ca6c64bd06f6b046f
4.1 MB Preview Download
md5:6a8639e8518cb7ab4dd00abc67c0b27d
1.5 kB Preview Download

Additional details

Related works

Cites
Journal article: 10.3390/cryst10111008 (DOI)
Journal article: 10.3390/ijms222212464 (DOI)
Preprint: 10.48550/arXiv.2305.04902 (DOI)
Is part of
Journal: 10.1103/PhysRevE.107.064605 (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.; Santiago, M.; Foteinopoulou, K.; Karayiannis, N. C.; Laso, M. Crystal, Fivefold and Glass Formation in Clusters of Polymers Interacting with the Square Well Potential. Polymers 2020, 12, 1111. https://doi.org/10.3390/polym12051111