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Advances in Computational & Experimental Engineering & Sciences

Proceedings of the 2004 International Conference on Computational & Experimental Engineering & Sciences Chapter 16 Multi-scale Modeling of Materials Organizers: Professor Fu-Pen Chiang, Professor Z. Xiao Guo, Professor Hanchen Huang, Professor Nobutada Ohno, Professor Hiroshi Okada, Dr. Deepak Srivastava, Dr. Vinod Tewary, Professor Yoshiro Tomita, & Professor Priya Vashishta A Dynamical Approach to the Spatio- temporal Features of the Portevin- Le Chatelier Effect G. Ananthakrishna Transport Properties of Carbon- and Silicon-Based Nanotubes Antonios N. Andriotis Multiscale Modeling Directly Linking the Electronic Structure Level to the Continuum Level Tomas Arias Toward Efficient Numerical Methods for Solving the Boltzmann Equation for Low-Speed Flows Lowell Baker; Nicolas G Hadjiconstantinou Residual Stress Determination by Diffraction: Modeling and Applications Davor Balzar; Nicolae C. Popa Calculation of Electronic Properties of Point Defects with the Quantum Embedded Cluster Approach Miguel A. Blanco; Aurora Costales; Víctor Luaña; Ravindra Pandey Multiscale Process Modeling in Microelectronics Max O. Bloomfield; Timothy Cale Nanomechanics: Elasticity and Beyond Tahir Cagin Modeling of CNT based Composites: Numerical Issues Namas Chandra; Chandrakanth Shet The Sticking under Loading and Temperature Opening of Carbon Nanotube Y-junctions Leonid A. Chernozatonskii; Inna V. Ponomareva Micro/Nanomechanics Mapping of Deformation Pattern of Lamellar of TiAl Fu-Pen Chiang Ab-Initio Studies of Large Deformation Processes of Graphene Peter W. Chung Nanotechnology Energetic Material Dynamics Studied with Nanometer Spatial Resolution and Picosecond Temporal Resolution Dana D. Dlott; Hyunung Yu; Shufeng Wang; Yanqiang Yang; Selezion A. Hambir Studies of Defects and Strains Using X-Ray Topography and Diffraction Michael Dudley From Molecule/Surface Interactions to Film Growth: Multi-model Strategy for atomic scale gate dielectrics technologies Alain Esteve Hydrogen Storage on Nanotubes and Nanoscrolls George E. Froudakis Computational Materials at NASA Langley Research Center Thomas S. Gates Elastic Moduli of a Single-Layered Graphene Sheet with Finite Element and Geometrical Approaches Using Equivalent Spring Modeling Jaafar Ghanbari; Kambiz Behfar; Reza Naghdabadi De Novo Multiscale Simulations of Materials William A. Goddard Self-Assembled Semiconductor Nanostructures: Multi-Scale Experimentation Rachel S. Goldman Modelling of Interfaces for Biomedical Devices: Challenges Ahead Z. Xiao Guo Molecular Dynamics Study of Temperature Dependence of Water Flow through Carbon Nanotube Junction using Reflecting Particle Method Itsuo Hanasaki; Akihiro Nakatani; Hiroshi Kitagawa Interface Sliding and Migration in an Ultrafine Lamellar Structure Luke L. Hsiung Atomistic Simulations of Texture Evolution in Thin Films Hanchen Huang How are the Different Structures in Atomic Clusters Formed? - Molecular Dynamics and Experimental Studies Tamio Ikeshoji Role of Atomic Relaxation in Hydrogen-Induced Amorphization Masahiko Katagiri; Hidehiro Onodera Interfacial Heat Flow in Carbon Nanotube Composites Pawel Keblinski Brownian Dynamics Simulation of Polymer Behavior in Nano- and Microfluidic Systems Satish Kumar Crystallographic Effects on Nano-plasticity on Copper Surfaces Haiyi Liang; Chung-Ho Woo; Hanchen Huang Iterative Solution Techniques for the Quasi-continuum Method Yu Liang; RamdevKanapady; Peter Chung On Micromechanical Behavior of Glassy Polymer Blended with Different Sized Rubber Particles Wei Lu; Yoshihiro Tomita Homogenized Elastic-Viscoplastic Behavior of Plain-Woven GFRP Composites Subjected to In-Plane Tensile Load Tetsuya Matsuda; Yuki Nimiya; Nobutada Ohno; Masataka Tokuda Molecular-dynamics Study on Crack Growth Behavior Relevant to Crystal Nucleation in Amorphous Metal Ryosuke Matsumoto; Michihiko Nakagaki; Akihiro Nakatani; Hiroshi Kitagawa Micromechanical Properties of Cement Pastes at Elevated Temperatures Jiri Nemecek; Lubos Kopecky; Zdenek Bittnar Microscopic Bifurcation and Post-Bifurcation Behavior of Periodic Cellular Solids Nobutada Ohno; Dai Okumura; Hirohisa Noguchi Surface and Interface Magnetic Structures of Thin Films Studied by X-ray Magnetic Circular Dichroism Toshiaki Ohta; Kenta Amemiya; Daiju Matsumura Applications of Element Overlay Technique to the Problems of Particulate Composite Materials Hiroshi Okada; Chi-Tsich Liu; Takashi Ninomiya; Yasuyoshi Fukui; Noriyoshi Kumazawa Microscopic Bifurcation Analysis for Long-Wave in-plane Buckling of Elastic Square Honeycombs Dai Okumura; Nobutada Ohno; Takeshi Niikawa The Challenge of Modeling Multiple Scales: From DNA to Dislocations Rob Phillips Simulation of Edge Dislocation using Finite Element Method N. Ramakrishnan Designing Nanostructures for New Functional Materials Bhakta B. Rath Reactivity of Oxide Nanoparticles in Aqueous Solution James Robert Rustad From Vibrations to Diffusion in Amorphous Materials Herbert R. Schober Atomic-level Stress Calculation Shengping Shen; Satya N. Atluri Interfacial Conditions in Seamless Multiscale Simulations Shengping Shen; Satya N. Atluri Nanomechanics and Plasticity of Nanotubes and Nanowires Deepak Srivastava Alloy Nanostructure Evolution Via Surface Diffusion Jerry Tersoff Multiscale Modeling of Quantum Nanostructures using Integrated Green’s Function and Molecular Dynamics Vinod K. Tewary; David T. Read Multiscale Modeling of Microstructure and Macrostructure Evolution during Sintering Veena Tikare; Michael V. Braginsky; Jose G. Arguello Computational Simulation of Mesoscopic Deformation Behavior of Semi-Crystalline Polymer Makoto Uchida; Yoshihiro Tomita Multimillion Atom Simulations of Nanosystems and Interfaces on Parallel Computers Priya Vashishta; Rajiv K. Kalia; Aiichiro Nakano Atomic-scale Study of Surface-based Nanostructures: Formation and Decay E.G. Wang Effective Properties of Composites Whose Reinforcement has Microstructure John Whitcomb; Julian Varghese; Jae Noh Hybrid Atomistic-Continuum Formulations for Small Scale Hydrodynamics H. S. Wijesinghe; Nicolas G. Hadjiconstantinou Molecular Dynamics / Discrete Dislocation Dynamics Simulations on the Dislocation Behavior in Ni-Based Superalloys Kisaragi Yashiro; Yasushi Tabata; Fumiharu Kurose; Yoshihiro Tomita; Hussein M Zbib A Finite Element Analysis on the Residual Stresses in a Thin Film/Substrate System N. Yu; M. A. Jing A Micromechanics Model for the Elastic Properties of Carbon Nanotubes N. Yu; Z. H. Zhang