LAMMPS inputs for the publication "Enhanced vapor sorption in block and random copolymer brushes"
doi:10.4121/f81629f0-fe7c-4de0-b5c6-8b31f1afde0c.v1
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doi: 10.4121/f81629f0-fe7c-4de0-b5c6-8b31f1afde0c
doi: 10.4121/f81629f0-fe7c-4de0-b5c6-8b31f1afde0c
Datacite citation style:
Sissi de Beer; Smook, Leon; Guido Ritsema van Eck; Glišić, Ivona (2024): LAMMPS inputs for the publication "Enhanced vapor sorption in block and random copolymer brushes". Version 1. 4TU.ResearchData. dataset. https://doi.org/10.4121/f81629f0-fe7c-4de0-b5c6-8b31f1afde0c.v1
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Dataset
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licence
CC BY 4.0
This dataset comprises the initial configurations and the input file used to produce all simulation data presented in the publication "Enhanced vapor sorption in block and random copolymer brushes", as well as instructions for reproducing the simulations.
history
- 2024-02-28 first online, published, posted
publisher
4TU.ResearchData
format
Plaintext LAMMPS input and configurations
associated peer-reviewed publication
Enhanced vapor sorption in block and random copolymer brushes
funding
- OCENW.KLEIN.020
organizations
University of Twente, Faculty of Science and Technology, Sustainable Polymer Chemistry
DATA
files (6)
- 2,391 bytesMD5:
abc059dcac0cf03b321fa4967b3a6288
README - 2,008,583 bytesMD5:
394a6afc40a839da310d497bcd6acb20
2blocks.data - 2,012,092 bytesMD5:
e91cae31d36b75bb495372a10fdad199
4blocks.data - 2,078,779 bytesMD5:
2c50185ee5dce7dec75a7aafd67126a7
pure.data - 2,008,456 bytesMD5:
9e94d3ecf2701aca3074eae7a0f77627
random.data - 3,675 bytesMD5:
6860eace7d8982767034eb44a70b52ca
vapor_sorption.in -
download all files (zip)
8,113,976 bytes unzipped