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Key Issues of Classical Molecular Dynamics Simulation: Applications to Simple Model Fluids and Water Confined in Carbon Nanotube - Softcover

Wang, Jun

 
9783843351454: Key Issues of Classical Molecular Dynamics Simulation: Applications to Simple Model Fluids and Water Confined in Carbon Nanotube
Softcover
ISBN 10: 3843351457 ISBN 13: 9783843351454
Verlag: LAP LAMBERT Academic Publishing, 2010

Inhaltsangabe

Molecular Dynamics (MD) simulation is one of the most important computational techniques with broad applications in physics, chemistry, chemical engineering, materials design and biological science. In this book, we mainly discussed key issues of MD simulations and investigated the melting point, surface tension (liquid-vapor and liquid-solid) of model fluids including Lennard-Jones model, Stockmayer model and a couple of water models (TIP4P/Ew,TIP5P/Ew) by means of MD simulation. In addition, some new structures of water confined in carbon nanotube were discovered and transport behaviors of water and ions through nano-channels were also revealed.

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Über die Autorin bzw. den Autor

I was born in Nanjing, P. R. China in 1978. I received my bachelor degree in 2000 and my master degree in 2004 from department of chemical engineering at Nanjing University of Technology. In Aug. 2010, I received my Ph.D degree from department of chemistry at University of Nebraska-Lincoln, U.S.A. I am interested in classical molecular dynamics.

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Verlag
LAP LAMBERT Academic Publishing
Erscheinungsdatum
2010
Sprache
Englisch
ISBN 10 
3843351457
ISBN 13 
9783843351454
Einband
Taschenbuch
Anzahl der Seiten
136
Kontakt zum Hersteller
Nicht verfügbar
Verantwortliche Person
info@bod.de
info@bod.de

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