Molecular Dynamics Simulation of Thermomechanical Properties of Montmorillonite Crystal. 1. Isolated Clay Nanoplate

The structure and mechanical properties of clay nanoparticles is a subject of growing interest because of their numerous applications in engineering. We present the results of molecular dynamics simulation for a single nanoplate of pyrophyllite  a 2:1 clay mineral consisting of two tetrahedral shee...

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Veröffentlicht in:	The journal of physical chemistry. B 2008-03, Vol.112 (10), p.2964-2969
Hauptverfasser:	Mazo, Mikhail A, Manevitch, Leonid I, Gusarova, Elena B, Shamaev, Mikhail Yu, Berlin, Alexander A, Balabaev, Nikolay K, Rutledge, Gregory C
Format:	Artikel
Sprache:	eng
Schlagworte:	Aluminum Silicates - chemistry Aluminum Silicates - isolation & purification Bentonite - chemistry Computer Simulation Crystallization Elasticity Mechanics Models, Molecular Molecular Conformation Nanostructures - chemistry Temperature Thermodynamics
Online-Zugang:	Volltext
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