Multiscale modeling for self-assembled materials and composites in industrial nanotechnology

COMP 265

Sanat Mohanty, smohanty@mmm.com1, Richard B. Ross, rbross@mmm.com2, G. Caldwell3, and Manish Jain1. (1) 3M Company, 201-2E-23, 3M Center, St. Paul, MN 55144-1000, (2) Advanced Materials Technology Center, 3M Company, Building 201-2E-23, St. Paul, MN 55144, (3) Corporate Research, 3M Corporate Research Laboratories, Science Research Laboratory, Bldg. 201-2E-02, Room E223, St. Paul, MN 55144
Use of Brownian Dynamics, Molecular Dynamics and Monte Carlo Simulations in various integrated ways are necessary to simulate the diverse critical phenomena that occur in numerous length and time scales in nanostructured materials.

We present a variety of methods used succesfully in development of nano-engineered materials with specific thermal, mechanical or optical properties.