Monday, November 13, 2006: 12:30 PM-3:00 PM
Franciscan C (Hilton San Francisco)
#86 - Multiscale Modeling of Nanoparticle Systems (03002)
Nanoparticle Systems are becoming increasingly important to practical applications in pharmaceuticals and medical diagnostics, advanced materials, and microelectronics. However, as the focus of interest gradually shifts from fundamental science to industrial applications, there is a growing need to understand how the presence of nanoparticles affects both the functionality of the finished products and the requirements of the manufacturing processes. Moreover, an important component of developing nanoparticle systems at the manufacturing scale is to address environmental health and safety issues that could become especially challenging for hard-to-detect nanoscopic materials. Clearly, addressing these issues in a rigorous manner requires methodologies that facilitate information transfer across physical scales. In this session we encourage papers that utilize multiscale methods in order to achieve a fundamental understanding of nanoparticle formation mechanisms and applications to the environment, biomedical problems and industrial manufacturing. Specifically we welcome papers that address: (i) fundamental mechanisms of nanoparticle formation (ii) nanoparticle systems functionality and optimization of the performance of products, (iii) design of optimized and controllable manufacturing processes and (iv) multiscale methods to predict the ultimate fate of nanoscale materials in the body and in the environment.
Chair:	M. Silvina Tomassone
CoChair:	Yee Chiew
12:30 PM	86a		Study of Water Adsorption on Nanoparticle Surface and Phase Transformation during Nanoparticle Sintering Via Molecular Dynamics Simulations of Tio2 Nanoparticles Vishal N. Koparde, Peter T. Cummings
12:51 PM	86b		Molecular Dynamics Simulation of Nanoparticle Self-Assembly at a Liquid-Liquid Interface Mingxiang Luo, Oleg A. Mazyar, Qing Zhu, Mark W. Vaughn, William L. Hase, Lenore L. Dai
1:12 PM	86c		Molecular Dynamics Simulation of Nano-Scale Lubricant Films in Humidity Haigang Chen, Qian Guo, Myung S. Jhon
1:33 PM	86d		Molecular Dynamics Modelling of Nanodroplet Spraying on Liquid Substrates Dan Lussier, Yiannis Ventikos, Nikolaos Kakalis
1:54 PM	86e		Collection Efficiency of Nanosize Particles in an Electrostatic Precipitator Panagiotis D. Christofides, Mingheng Li
2:15 PM	86f		Modeling Aqueous Environments in Pre-Nucleation Silicate Species Charles L. Schaffer, Kendall T. Thomson
2:36 PM	86g		Slip Flow in Nanofluidics: Slip Length Vs. Contact Angle on Hydrophobic Surfaces from Nonequilibrium Molecular Dynamics Lloyd L. Lee, Roman S. Voronov, Dimitrios V. Papavassiliou

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