Nano Science and Technology Institute
Nanotech 2001 Vol. 2
Nanotech 2001 Vol. 2
Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Chapter 7: General Theory and Methods

Virtual Nanofabrication of Electronic Materials

Authors:L.A. Pozhar
Affilation:University of Surrey, UK
Pages:188 - 191
Keywords:statistical mechanics, nanosystems, transport properties, molecular simulations
Abstract:A rigorous statistical mechanical theory of inhomogeneous fluids and molecular dynamics simulations are used to predict characteristic features of transport processes and the corresponding transport coefficients for a number of model nanoscale systems in terms of the system equilibrium structure factors. The obtained results confirm that the PG-theory supplies accurate charcterization of transport processes in nanosystems and can be effectively used as a basis for software development to control 3D nanoscale materials processing.
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