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Beschreibung
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.
Applications to Simple Model Fluids and Water Confined in Carbon Nanotube
Details
| Verlag | LAP LAMBERT Academic Publishing |
| Ersterscheinung | 02. September 2010 |
| Maße | 22 cm x 15 cm x 0.9 cm |
| Gewicht | 221 Gramm |
| Format | Softcover |
| ISBN-13 | 9783843351454 |
| Seiten | 136 |
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