Research data supporting Macroscopic surface charges from microscopic simulations
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Description
Contains LAMMPS input files for the simulations described in the paper. There are two directories: "RockSalt" and "Kaolinite" with accompanying README files.
The LAMMPS source code is available: https://lammps.sandia.gov.
Source code (in addition to the main LAMMPS source code) is freely available: https://github.com/uccasco/FiniteFields.
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Software / Usage instructions
LAMMPS (https://lammps.sandia.gov) with modifications (https://github.com/uccasco/FiniteFields).
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Except where otherwised noted, this item's license is described as Attribution 4.0 International (CC BY 4.0)
Sponsorship
EPSRC (EP/P020194; EP/P022561/1; RG84040)
Royal Commission for the Exhibition of 1851