Replication Data for: Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials

DOI

Simulation input scripts used for "Bridging Microscopic Dynamics and Hydraulic Permeability in Mechanically-Deformed Nanoporous Materials"

The folders the corresponding simulation and analysis files to setup the simulation systems (SETUP), perform the GCMC/MD simulations (ISOTHERM), and run the equilibrium and non-equilibrium MD simulations, respectively (EQMD/NEMD).

LAMMPS, 30 Oct 2019

Identifier
DOI https://doi.org/10.18419/DARUS-3966
Metadata Access https://darus.uni-stuttgart.de/oai?verb=GetRecord&metadataPrefix=oai_datacite&identifier=doi:10.18419/DARUS-3966
Provenance
Creator Schlaich, Alexander (ORCID: 0000-0002-4250-363X)
Publisher DaRUS
Contributor Schlaich, Alexander
Publication Year 2024
Funding Reference DFG EXC 2075 - 390740016 ; DFG 327154368 - SFB 1313 ; ANR ANR-17-CE08- 000 ; ANR NR-10-EQPX-29-01
Rights info:eu-repo/semantics/openAccess
OpenAccess true
Contact Schlaich, Alexander (Universität Stuttgart)
Representation
Resource Type Dataset
Format text/x-python; chemical/x-xyz; application/octet-stream; text/markdown; text/plain
Size 378; 1706; 1081; 44692; 181337; 3489; 400; 1133; 5688; 5739; 6509; 696; 4110; 3132; 4057; 775; 5102; 333; 136; 201; 321; 523; 538
Version 1.0
Discipline Chemistry; Natural Sciences; Physics