Movies of thin film water on rough NaCl surface

DOI

Videos showing water molecules at a rough sodium chloride solid surface for different roughness and different water chemical potential. The force field for the water is TIP4P/epsilon (https://doi.org/10.1021/jp410865y), and the force field for the ions is from Loche et al. (https://doi.org/10.1021/acs.jpcb.1c05303). The trajectories have been generated using the GROMACS simulation package, and the videos have been created using VMD. (2022-03-16)

Identifier
DOI https://doi.org/10.18419/darus-2770
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/darus-2770
Provenance
Creator Gravelle, Simon ORCID logo
Publisher DaRUS
Contributor Gravelle, Simon; Huber, Frank
Publication Year 2022
Funding Reference DFG 327154368
Rights CC BY 4.0; info:eu-repo/semantics/openAccess; http://creativecommons.org/licenses/by/4.0
OpenAccess true
Contact Gravelle, Simon (Universität Stuttgart); Huber, Frank (Universität Stuttgart)
Representation
Resource Type Dataset
Format video/mp4
Size 163742748; 164407047; 157303615; 129301937; 142279600; 129549499
Version 1.0
Discipline Chemistry; Natural Sciences; Physics