Computer-Aided Design of High-Temperature Materials
Computer-Aided Design of High-Temperature Materials
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Abstract
High-temperature materials is a fast-moving research area with numerous practical applications. Materials that can withstand extremely high temperatures and extreme environments are generating considerable attention worldwide; however, designing materials that have low densities, elevated melting temperatures, oxidation resistance, creep resistance, and intrinsic toughness encompass some of the most challenging problems in materials science. The current search for high-temperature materials is largely based on traditional, trial-and-error experimental methods which are costly and time-consuming. An effective way to accelerate research in this field is to use recent advances in materials simulations and high performance computing and communications (HPCC) to guide experiments. This synergy between experiment and advanced materials modeling will significantly enhance the synthesis of novel high-temperature materials. This volume collects recent work from experimental and computational scientists on high-temperature materials and emphasizes the potential for collaboration. It features state-of-the-art materials modeling and recent experimental developments in high-temperature materials. Topics include fundamental phenomena and properties; measurements and modeling of interfacial phenomena, stresses, growth of defects, strain, and fracture; and electronic structure and molecular dynamics.
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Front Matter
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Creep of Silicon Nitride
S M Wiederhorn andW E Luecke
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Grain Boundary Chemistry and Creep Resistance of Alumina
M P Harmer and others
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The Structures of Liquid Yttrium and Aluminum Oxides
Stuart Ansell and others
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Creep Damage Processes In Structural Ceramics: Experimental Studies and Their Implications For Computational Modeling
Richard A Page
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Insights on Deformation Mechanisms From Atomistic Modeling of Structural Instability In Solids
C S Jayanthi and others
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Molecular Dynamics Simulation of the Sintering Process of β-Sic Nanoparticles
Shi-He Wang and others
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Dynamic Fracture In Nanophase Ceramics and Diamond Films: Multimillion Atom Parallel Molecular-Dynamics Simulations
Andrey Omeltchenko and others
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Scaling Phenomena In Crack Propagation
E Bouchaud andP Daguier
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Effect of Small Aluminum Additions on Mechanical, Elastic and Structural Properties of Monocrystalline C11b Mosi2
P Peralta and others
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Nearly Singular Fields: Electrostatics and Elastostatics of Composite Materials
L Greengard
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Energy Minimization and Nonlinear Problems In Polycrystalline Solids
Kaushik Bhattacharya
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Influence of the Interface on The Thermal Conductivity of Composites Containing Perfectly Conducting or Perfectly Insulating Particles
Robert Lipton
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Coarsening of Directionally-Solidified Eutectic Microstructures
Alan J Ardell
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Fingering Instability in Dislocation Motion
Robin L B Selinger andMing Li
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An Alternative Mechanism For The Formation of Split Patterns of Y’ Precipitates In Ni-Al Alloys
D Banerjee and others
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Directional Solidification of Eutectic Ceramics
Ali Sayir
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Computer Simulation of Microstructural Evolution Under External Stresses
D Y Li andL Q Chen
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The Weak Interface Between Monazites and Refractory Ceramic Oxides
Peter E D Morgan and others
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Structural Correla Tions and Stress Distribution at Silicon I Silicon Nitride Interface
Martina E Bachlechner and others
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Neutron-Scattering Studies of Nitride, Oxide, and Phosphate Ceramics and Their Relationship with Molecular-Dynamics Simulations of HighTemperature Properties
C -K Loong
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Neutron Scattering Characterization of MicroStructure In Uranium Silicides, Ceramic Composites and Ni-Based Alloys
James W Richardson
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Fundamental Studies of Surfaces and Interfaces at High Temperature Via Microdesigned Interfaces
James D Powers and others
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Analytic Bond-Order Potentials: Bridging The ElectronicAtomistic Length-Scale Gap
I Oleinik and others
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Ab Initio Calculations of Interfaces in MateRials: Grain Boundaries in SiC and SiC/Al InterFaces
Masanori Kohyama andJohn Hoekstra
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Structure and Dynamics of Consolidation and Fracture in Nanophase Ceramics Via Parallel Molecular Dynamics
Kenji Tsuruta and others
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Interfaces in Oxide Fiber-Oxide Matrix Ceramic Composites
Richard W Goettler and others
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Hybrid Classical and Quantum Modeling of Defects, Interfaces, and Surfaces
D E Ellis and others
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First-Principles Silica Pseudopotential Data Base of Silica
L H Yang andC Mailhiot
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Structural Correlations in Amorphous Sio2 at High Pressures
Jose P Rino(*) and others
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Development of a Variational Augmented Plane Wave Method and Its Application to the Electronic Structure of Ionic Compounds
Hiroshi Iyetomi and others
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Band-Theoretical Approach to the Superionic Conductivity of Solid Electrolytes
Hideaki Kikuchi and others
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The Doe Accelerated Strategic Computing Initiative: Challenges and Opportunities for Predictive Materials Simulation Capabilities
Christian Mailhiot
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Collaborative Virtual Reality Environments for Computational Science and Design
Michael E Papka and others
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Multilevel Algorithms For Computational HighTemperature Materials Research
Aiichiro Nakano and others
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Modified Gauss Point Method and its Application in Htms
Ming L Wang andZhen Lei Chen
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Issues Involving Structural Stabilities In Multilayered Materials and Intermetallic Compounds
H L Fraser
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Recent Advances In High Performance Computer Simulations For Materials Science
P S Lomdahl and others
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Multiscale Modeling of Polycrystalline Covalent Ceramics
D W Brenner and others
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High Temperature Thermal Property Prediction For Mgo, Kci and Zns
Kai Wang andRobert R Reeber
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Failure of Herring’s Sintering Law at the Nanoscale
Pei Zeng and others
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Atomistic Simulation of Mems Devices via the Coupling of Length Scales
Jeremy Q Broughton
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Thermoelastic Properties of Layered Perovskites: A Non-Empirical Density Functional Theory Approach
Andrew.V G Chizmeshya and others
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