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{"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.; Mart\u00ednez-Fern\u00e1ndez, 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", "Mart\u00ednez-Fern\u00e1ndez, 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"]}
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.
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"
semi-flexible polymers; hard sphere; athermal chain; Monte Carlo; molecular simulation; crystallization; packing; phase transition; order parameter, liquid crystal, nematic order, oblate mesogen, prolate mesogen, face centered cubic, hexagonal close packed, bending angle, freely-jointed model
semi-flexible polymers; hard sphere; athermal chain; Monte Carlo; molecular simulation; crystallization; packing; phase transition; order parameter, liquid crystal, nematic order, oblate mesogen, prolate mesogen, face centered cubic, hexagonal close packed, bending angle, freely-jointed model
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