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
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A Dynamical Approach to the Spatio- temporal Features of the Portevin- Le Chatelier Effect
G. Ananthakrishna
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Transport Properties of Carbon- and Silicon-Based Nanotubes
Antonios N. Andriotis
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Multiscale Modeling Directly Linking the Electronic Structure Level to the Continuum Level
Tomas Arias
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Toward Efficient Numerical Methods for Solving the Boltzmann Equation for Low-Speed Flows
Lowell Baker; Nicolas G Hadjiconstantinou
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Residual Stress Determination by Diffraction: Modeling and Applications
Davor Balzar; Nicolae C. Popa
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Calculation of Electronic Properties of Point Defects with the Quantum Embedded Cluster Approach
Miguel A. Blanco; Aurora Costales; Víctor Luańa; Ravindra Pandey
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Multiscale Process Modeling in Microelectronics
Max O. Bloomfield; Timothy Cale
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Nanomechanics: Elasticity and Beyond
Tahir Cagin
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Modeling of CNT based Composites: Numerical Issues
Namas Chandra; Chandrakanth Shet
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Micro/Nanomechanics Mapping of Deformation Pattern of Lamellar of TiAl
Fu-Pen Chiang
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Ab-Initio Studies of Large Deformation Processes of Graphene
Peter W. Chung
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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
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Studies of Defects and Strains Using X-Ray Topography and Diffraction
Michael Dudley
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From Molecule/Surface Interactions to Film Growth: Multi-model Strategy for atomic scale gate dielectrics technologies
Alain Esteve
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Hydrogen Storage on Nanotubes and Nanoscrolls
George E. Froudakis
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Computational Materials at NASA Langley Research Center
Thomas S. Gates
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Elastic Moduli of a Single-Layered Graphene Sheet with Finite Element and Geometrical Approaches Using Equivalent Spring Modeling
Jaafar Ghanbari; Kambiz Behfar; Reza Naghdabadi
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De Novo Multiscale Simulations of Materials
William A. Goddard
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Self-Assembled Semiconductor Nanostructures: Multi-Scale Experimentation
Rachel S. Goldman
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Modelling of Interfaces for Biomedical Devices: Challenges Ahead
Z. Xiao Guo
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Molecular Dynamics Study of Temperature Dependence of Water Flow through Carbon Nanotube Junction using Reflecting Particle Method
Itsuo Hanasaki; Akihiro Nakatani; Hiroshi Kitagawa
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Interface Sliding and Migration in an Ultrafine Lamellar Structure
Luke L. Hsiung
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Atomistic Simulations of Texture Evolution in Thin Films
Hanchen Huang
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How are the Different Structures in Atomic Clusters Formed? - Molecular Dynamics and Experimental Studies
Tamio Ikeshoji
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Role of Atomic Relaxation in Hydrogen-Induced Amorphization
Masahiko Katagiri; Hidehiro Onodera
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Interfacial Heat Flow in Carbon Nanotube Composites
Pawel Keblinski
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Brownian Dynamics Simulation of Polymer Behavior in Nano- and Microfluidic Systems
Satish Kumar
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Crystallographic Effects on Nano-plasticity on Copper Surfaces
Haiyi Liang; Chung-Ho Woo; Hanchen Huang
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Iterative Solution Techniques for the Quasi-continuum Method
Yu Liang; RamdevKanapady; Peter Chung
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On Micromechanical Behavior of Glassy Polymer Blended with Different Sized Rubber Particles
Wei Lu; Yoshihiro Tomita
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Homogenized Elastic-Viscoplastic Behavior of Plain-Woven GFRP Composites Subjected to In-Plane Tensile Load
Tetsuya Matsuda; Yuki Nimiya; Nobutada Ohno; Masataka Tokuda
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Molecular-dynamics Study on Crack Growth Behavior Relevant to Crystal Nucleation in Amorphous Metal
Ryosuke Matsumoto; Michihiko Nakagaki; Akihiro Nakatani; Hiroshi Kitagawa
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Micromechanical Properties of Cement Pastes at Elevated Temperatures
Jiri Nemecek; Lubos Kopecky; Zdenek Bittnar
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Microscopic Bifurcation and Post-Bifurcation Behavior of Periodic Cellular Solids
Nobutada Ohno; Dai Okumura; Hirohisa Noguchi
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Surface and Interface Magnetic Structures of Thin Films Studied by X-ray Magnetic Circular Dichroism
Toshiaki Ohta; Kenta Amemiya; Daiju Matsumura
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Applications of Element Overlay Technique to the Problems of Particulate Composite Materials
Hiroshi Okada; Chi-Tsich Liu; Takashi Ninomiya; Yasuyoshi Fukui; Noriyoshi Kumazawa
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Microscopic Bifurcation Analysis for Long-Wave in-plane Buckling of Elastic Square Honeycombs
Dai Okumura; Nobutada Ohno; Takeshi Niikawa
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The Challenge of Modeling Multiple Scales: From DNA to Dislocations
Rob Phillips
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Simulation of Edge Dislocation using Finite Element Method
N. Ramakrishnan
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Designing Nanostructures for New Functional Materials
Bhakta B. Rath
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Reactivity of Oxide Nanoparticles in Aqueous Solution
James Robert Rustad
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From Vibrations to Diffusion in Amorphous Materials
Herbert R. Schober
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Atomic-level Stress Calculation
Shengping Shen; Satya N. Atluri
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Interfacial Conditions in Seamless Multiscale Simulations
Shengping Shen; Satya N. Atluri
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Nanomechanics and Plasticity of Nanotubes and Nanowires
Deepak Srivastava
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Alloy Nanostructure Evolution Via Surface Diffusion
Jerry Tersoff
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Multiscale Modeling of Quantum Nanostructures using Integrated Greens Function and Molecular Dynamics
Vinod K. Tewary; David T. Read
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Multiscale Modeling of Microstructure and Macrostructure Evolution during Sintering
Veena Tikare; Michael V. Braginsky; Jose G. Arguello
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Computational Simulation of Mesoscopic Deformation Behavior of Semi-Crystalline Polymer
Makoto Uchida; Yoshihiro Tomita
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Multimillion Atom Simulations of Nanosystems and Interfaces on Parallel Computers
Priya Vashishta; Rajiv K. Kalia; Aiichiro Nakano
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Atomic-scale Study of Surface-based Nanostructures: Formation and Decay
E.G. Wang
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Effective Properties of Composites Whose Reinforcement has Microstructure
John Whitcomb; Julian Varghese; Jae Noh
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Hybrid Atomistic-Continuum Formulations for Small Scale Hydrodynamics
H. S. Wijesinghe; Nicolas G. Hadjiconstantinou
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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
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A Finite Element Analysis on the Residual Stresses in a Thin Film/Substrate System
N. Yu; M. A. Jing
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A Micromechanics Model for the Elastic Properties of Carbon Nanotubes
N. Yu; Z. H. Zhang
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