| Friday, 4 November 2005: 8:00 AM-10:30 AM | |||
| 263 (Cincinnati Convention Center) | |||
Computational Molecular Science and Engineering Forum (21) | |||
| #565 - Application of Multiscale Modeling Techniques (21006) | |||
| Papers are solicited on the application of multiscale modeling and simulation that has emerged as a new research area. Multiscale modeling aims to develop improved descriptions of the macroscopic behavior of materials and systems through the incorporation of fundamental information about materials structures and processes from various time and length scales as necessary. This session intends to promote advances in multiscale modeling strategies and their applications in the process and control of various material systems. Paper submission is encouraged in the areas of, but not limited to, synthesis and modification of nanostructured materials and systems, structure-property relationships, evolution of surface structures, chemical phenomena on catalytic surfaces, diffusion profiling of defects and dopants in semiconductors and oxides, and experimental validation of multiscale models. | |||
| CoChair: | Martha C. Mitchell | ||
| Chair: | Gyeong S. Hwang | ||
| 8:00 AM | 565a | Computation of the Vibrational Spectra of Hydrogen-Bonded Aggregates in Solution Using Multiscale Modeling Approaches J. Ilja Siepmann, John M. Stubbs | |
| 8:25 AM | 565b | On-Lattice Kinetic Monte Carlo Simulations of Point Defect Aggregation in Entropically Influenced Crystalline Systems Jianguo Dai, Talid R. Sinno | |
| 8:50 AM | 565c | Relaxation of Lattice-Mismatch Strain in Si1-XGeX Thin Films on Si Substrates: Modeling and Comparisons with Experiments Kedarnath Kolluri, Luis A. Zepeda-Ruiz, Dimitrios Maroudas | |
| 9:15 AM | 565d | Multiscale Simulation Studies on Mechanisms of Poration for Hydrolytically Degradable Diblock Copolymer Membranes Vanessa Ortiz, Steven O. Nielsen, Michael L. Klein, Dennis E. Discher | |
| 9:40 AM | 565e | Multiscale Systems Engineering with Application to Copper Electrodeposition Mohan Karulkar, Feng Xue, Timothy O. Drews, Yuan He, Xiaohai Li, Effendi Rusli, Richard C. Alkire, Richard D. Braatz | |
| 10:05 AM | 565f | Multiscale Modeling for Quality-Constrained Thin-Film Development in Automotive Coating Material Applications Jia Li, Yinlun Huang | |
| Sponsor: | Computational Molecular Science and Engineering Forum | ||
| Cosponsors: | Engineering Sciences and Fundamentals | ||
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