Supporting data for 'Response to dynamic shape changes in suspensions of hard rectangles'

DOI

Supporting simulation data for "Dertli, Denis; Speck, Thomas (2026). Response to dynamic shape changes in suspensions of hard rectangles. Soft Matter." (https://doi.org/10.1039/D6SM00037A). It includes data of the manuscript and supplemental information.

Motivated by recent DNA origami experiments, we study in our work the structure and dynamics of suspensions of hard squares in response to an elongation into a rectangle. Performing dynamic hard-particle Monte Carlo simulations at constant volume and employing two protocols, we numerically analyze the collective diffusion and ordering during the shape change and the subsequent relaxation towards the new equilibrium state. We study a two-dimensional system with approximately 1300 particles with fixed area at constant packing fraction and periodic boundary conditions. The HPMC simulations were performed utilizing Hoomd-blue (open source code at https://github.com/glotzerlab/hoomd-blue/releases/tag/v4.8.2 https://github.com/glotzerlab/hoomd-blue/releases/tag/v4.8.2). Further details and an interpretation of our findings are explained in our related publication (https://doi.org/10.1039/D6SM00037A). The content and data structure are explained in the corresponding "README.txt", where we also list the references for the simulations (for a complete list of all references of the entire study, please see the list of references in our related publication (https://doi.org/10.1039/D6SM00037A)).

Hoomd-blue, 4.8.2 (https://github.com/glotzerlab/hoomd-blue/releases/tag/v4.8.2)

freud, 3.1.0 (https://github.com/glotzerlab/freud/releases/tag/v3.1.0)

Identifier
DOI https://doi.org/10.18419/DARUS-5377
Related Identifier IsCitedBy https://doi.org/10.1039/D6SM00037A
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-5377
Provenance
Creator Speck, Thomas ORCID logo; Dertli, Denis ORCID logo
Publisher DaRUS
Contributor Speck, Thomas
Publication Year 2026
Funding Reference DFG INST 37/935-1 FUGG ; DFG INST 37/1159-1 FUGG ; State of Baden-Württemberg ; DFG 390740016 - EXC 2075 ; DFG 405552959
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Speck, Thomas (University of Stuttgart)
Representation
Resource Type Dataset
Format application/gzip; text/plain
Size 12930803; 5557
Version 1.0
Discipline Natural Sciences; Physics