Stochastic multiresolution analysis of materials
At LMSSC, Cnam, Paris, May 5th 2010, 2 p.m.
Wing Kam LiuPersonal website
Walter P. Murphy Professor, Department of Mechanical Engineering, Northwestern University, Evanston, Illinois, USA
Walter P. Murphy Professor, Department of Mechanical Engineering, Northwestern University, Evanston, Illinois, USA
In the not too distant future, it may be possible to create an integrated multiscale analysis system for the design of a reliable engineering device for a predetermined lifetime. Such a capability is currently missing. We will demonstrate this proposed stochastic multiresolution analysis of materials framework via two examples: micro/nano-structured materials design, and nanodiamond platforms for therapeutic applications.
The key to developing advanced materials is the establishment of an understanding of the interplay between the various physical scales present. By designing material microstructure intelligently, we may hope to create new materials with desired combinations of strength, toughness, electrical, and density, among other properties. A rigorous stochastic mathematical framework for multiscale modeling will help to make super-lightweight, ultra-strength, low-wear materials a reality of everyday life – for energy related, industrial, and medical applications alike. In materials engineering, rather than discovering materials by chance and exploiting their properties, the goal is to develop a comprehensive understanding of microstructure-properties relationships in order to systematically design materials with specific desired properties.
Current research efforts focus on the use of nanodiamonds (NDs) as a drug carrier for advanced drug delivery and diagnostic systems. In order for the device to work properly, it is extremely necessary to understand the physical and chemical attributes of NDs, drugs, and bio-molecules. While the properties of the drug- and bio-molecules are well explored, many crucial properties of NDs are still unknown, such as the equilibrium structure of NDs as well as the type of charges and the nature of the functional groups present on the surface of the ND. A bio-chemo-atomistic framework for this system is being developed utilizing current modeling and experimental measurements, and this mathematical framework serves also as an adaptive model that will continue to update as computational and experimental capabilities are improved.