Data supporting the publication 'Clay swelling: role of cations in stabilizing/destabilizing mechanisms'
Date
2022-01-18 16:34
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Cranfield University
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Chen, Wenlong; Grabowski, Robert; Goel, Saurav (2022). Data supporting the publication 'Clay swelling: role of cations in stabilizing/destabilizing mechanisms'. Cranfield Online Research Data (CORD). Dataset. https://doi.org/10.17862/cranfield.rd.15049314
Abstract
In the compressed dataset, there are two subdirectories, one in the name of 'Example' and another 'PostprocessData'. The Example directory contains input files, output data and postprocessed data for case Na12 starting at a d-space of onelayer value, where files starts with in.* are input files for lammps software, files ending with .dat or .lmptrj are output files from lammps, and files ending with .mat are matlab processed data. The 'postporcessedata' contains matlab processed results for all simulations in this study, contains simulation for NaMMT, KMMT, CaMMT and NaBD starting at onelayer, twolayer and threelayer d-space values.
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Github
Keywords
Clay Swelling', 'Molecular Dynamic Simulations Reveal', 'Molecular dynamics simulation analysis', 'hydration', 'Physical Chemistry of Materials', 'Molecular Physics', 'Nanochemistry and Supramolecular Chemistry', 'Colloid and Surface Chemistry', 'Mineralogy', 'Natural Hazards', 'Sedimentology', 'Soil Chemistry (excl. Carbon Sequestration Science)', 'Soil Physics'
DOI
10.17862/cranfield.rd.15049314
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CC BY 4.0
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All authors greatly acknowledge the financial support provided by the UKRI via Grants No. EP/L016567/1, EP/S013652/1, EP/S036180/1, EP/T001100/1 and EP/T024607/1, Royal Academy of Engineering via Grants No. IAPP18-19\295, TSP1332 and EXPP2021\1\277, EURAMET EMPIR A185 (2018), EU Cost Action (CA15102, CA18125, CA18224 and CA16235) and Newton Fellowship award from the Royal Society (NIF\R1\191571). We also acknowledge financial support from the European Regional Development Funds (ERDF) sponsored A2i project at LSBU that have catalysed several industrial partnerships. Wherever applicable, the work made use of Isambard Bristol, UK supercomputing service accessed by Resource Allocation Panel (RAP) grant as well as ARCHER2 resources (Project e648).