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The diffusion of lithium through graphite: a Monte Carlo simulation based on electronic structure calculations

✍ Scribed by Werner Lehnert; Wolfgang Schmickler; Ajit Bannerjee


Book ID
107942752
Publisher
Elsevier Science
Year
1992
Tongue
English
Weight
523 KB
Volume
163
Category
Article
ISSN
0301-0104

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Reverse Monte Carlo (RMC) calculations have been carried out on aqueous LiCl solutions at several concentrations, comparing experimental X-ray and neutron diffraction data with partial radial distribution functions (prdf) from Molecular Dynamics (MD) simulations based on conventional ion-ion, ion-wa