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Software . 2017
Data sources: Datacite
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Software . 2017
Data sources: ZENODO
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Software . 2017
Data sources: Datacite
Imperial College London: Spiral
Software . 2017
Data sources: Bielefeld Academic Search Engine (BASE)
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JE1314/LAMMPS_builder

integration_instructionsResearch softwarekeyboard_double_arrow_right Software 08 Nov 2017 United Kingdom Publisher:Zenodo
Authors: Ewen, James; Restrepo, Sebastian Echeverri;
Code repository: https://github.com/JE1314/LAMMPS_builder/tree/master

doi: 10.5281/zenodo.1043868 , 10.5281/zenodo.1043867

handle: 10044/1/63764

JE1314/LAMMPS_builder

Abstract

This software is suitable as a starting point for performing confined nonequilibrium molecular dynamics (NEMD) simulations of organic friction modifier (OFM) films adsorbed to iron surfaces, separated by a layer of n-alkane molecules. This software generates a LAMMPS datafile and basic input file containing:* Two a-Fe or a-Fe2O3 slabs with/without random nanoscale roughness Two OFM monolayers above/below bottom/top slabs A central region of n-alkanes *Note that any of these components can be excluded using the appropriate flags

Country
United Kingdom
Related Organizations
Keywords

Molecular Dynamics, 540, LAMMPS, 620

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selected citations
These citations are derived from selected sources.
This is an alternative to the "Influence" indicator, which also reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Citations provided by BIP!
popularity
This indicator reflects the "current" impact/attention (the "hype") of an article in the research community at large, based on the underlying citation network.
BIP!Popularity provided by BIP!
influence
This indicator reflects the overall/total impact of an article in the research community at large, based on the underlying citation network (diachronically).
BIP!Influence provided by BIP!
impulse
This indicator reflects the initial momentum of an article directly after its publication, based on the underlying citation network.
BIP!Impulse provided by BIP!
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