A computational study of the effect of Li-K solid solutions on the structures and stabilities of layered silicate materials - An application of the use of Condor pools in molecular simulation

Molecular Simulation

Volumn 31, Issue 5, 2005, Pages 339-347

  Du, Z ^a   De Leeuw, N H ^a,b   Grau Crespo, R ^a   Wilson, P B ^b   Brodholt, J P ^b   Calleja, M ^c   Dove, M T ^c  

^a UNIVERSITY OF LONDON   (United Kingdom)

^b UNIVERSITY COLLEGE LONDON   (United Kingdom)

^c UNIVERSITY OF CAMBRIDGE   (United Kingdom)

Author keywords

Cation ordering; Layered silicates; Phyllosilicate; Solid solutions

Indexed keywords

COMPUTATION THEORY; COMPUTER SIMULATION; ELECTROSTATICS; LITHIUM; POSITIVE IONS; SILICATES; SOLID SOLUTIONS;

CATION ORDERING; LAYERED SILICATES; MOLECULAR DYNAMICS SIMULATION; PHYLLOSILICATE;

MOLECULAR DYNAMICS;

EID: 20544471691     PISSN: 08927022     EISSN: None     Source Type: Journal    
DOI: 10.1080/08927020500067013     Document Type: Article

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