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.
Journal: TechConnect Briefs
Volume: 2, Technical Proceedings of the 2001 International Conference on Computational Nanoscience and Nanotechnology
Published: March 19, 2001
Pages: 188 - 191
Industry sector: Advanced Materials & Manufacturing
Topic: Informatics, Modeling & Simulation