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Computer-Aided Design of High-Temperature Materials : Topics in Physical Chemistry - Alexander Pechenik

Computer-Aided Design of High-Temperature Materials

Topics in Physical Chemistry

By: Alexander Pechenik (Editor), Rajiv K. Kalia (Editor), Priya Vashishta (Editor)


Published: 1st August 1999
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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.

S. M. Wiederhorn and W. E. Luecke: Creep of Silicon Nitride M. P. Harmer et al.: Grain Boundary Chemistry and Creep Resistance of Alumina Stuart Ansell, Shankar Krishnan, and David L. Price: The Structures of Liquid Yttrium and Aluminum Oxides Richard A. Page: Creep Damage Processes in Structural Ceramics: Experimental Studies and Their Implications for Computational Modeling C. S. Jayanthi et al.: Insights on Deformation Mechanisms from Atomistic Modeling of Structural Instability in Solids Shi-He Wang, Philip C. Clapp, and Jon A. Rifkin: Molecular Dynamics Simulation of the Sintering Process of *B-SiC Nanoparticles Andrey Omeltchenko et al.: Dynamic Fracture in Nanophase Ceramics and Diamond Films: Multimillion Atom Parallel Molecular-Dynamics Simulations E. Bouchard and P. Daguier: Scaling Phenomena in Crack Propagation P. Peralta et al.: Effect of Small Aluminum Additions on Mechanical, Elastic and Structural Properties of Monocrystalline C11[b MoSi[2 L. Greengard: Nearly Singular Fields: Electrostatics and Elastostatics of Composite Materials Kaushik Bhattacharya: Energy Minimization and Nonlinear Problems in Polycrystalline Solids Robert Lipton: Influence of the Interface on the Thermal Conductivity of Composites Containing Perfectly Conducting or Perfectly Insulating Particles Alan J. Ardell: Coarsening of Directionally-Solidified Eutectic Microstructures Robin L. B. Selinger and Ming Li: Fingering Instability in Dislocation Motion D. Banerjee, R. Banerjee, and Y. Wang: An Alternative Mechanism for the Formation of Split Patterns of *b' Precipitates in Ni-Al Alloys Ali Sayir: Directional Solidification of Eutectic Ceramics D. Y. Li and L. Q. Chen: Computer Simulation of Microstructural Evolution under External Stresses Peter E. D. Morgan et al.: The Weak Interface between Monazites and Refractory Ceramic Oxides Martina E. Bachlechner et al.: Structural Correlations and Stress Distribution at Silicon/Silicon Nitride Interface C.-K. Loong: Neutron-Scattering Studies of Nitride, Oxide, and Phosphate Ceramics and Their Relationship with Molecular Dynamics Simulations of High-Temperature Properties James W. Richardson, Jr.: Neutron Scattering Characterization of Microstructure in Uranium Silicides, Ceramic Composites and Ni-Based Alloys James D. Powers, Mikito Kitayama, and Andreas M. Glaeser: Fundamental Studies of Surfaces and Interfaces at High Temperature via Microdesigned Interfaces I. Oleinik et al.: Analytic Bond-Order Potentials: Bridging the Electronic-Atomistic Length-Scale Gap Masanori Kohyama and John Hoekstra: Ab Initio Calculations of Interfaces in Materials: Grain Boundaries in SiC and SiC/Al Interfaces Kenji Tsuruta et al.: Structure and Dynamics of Consolidation and Fracture in Nanophase Ceramics via Parallel Molecular Dynamics Richard W. Goettler et al.: Interfaces in Oxide Fiber-Oxide Matrix Ceramic Composites D. E. Ellis et al.: Hybrid Classical and Quantum Modeling of Defects, Interfaces, and Surfaces L. H. Yang and C. Mailhiot: First-Principles Pseudopotential Data Base of Silica José P. Rino et al.: Structural Correlations in Amorphous SiO[2 at High Pressures Hiroshi Iyetomi, Hideaki Kikuchi, and Akira Hasegawa: Development of a Variational Augmented Plane Wave Method and Its Application to the Electronic Structure of Ionic Compounds Hideaki Kikuchi, Hiroshi Iyetomi, and Akira Hasegawa: Band-Theoretical Approach to the Superionic Conductivity of Solid Electrolytes Christian Mailhiot: The DOE Accelerated Strategic Computing Initiative: Challenges and Opportunities for Predictive Materials Simulation Capabilities Michael E. Papka, Rick Stevens, and Matthew Szymanski: Collaborative Virtual Reality Environments for Computational Science and Design Aiichiro Nakano et al.: Multilevel Algorithms for Computational High-Temperature Materials Research Ming L. Wang and Zhen Lei Chen: Modified Gauss Point Method and Its Application in HTMS H. L. Fraser: Issues Involving Structural Stabilities in Multilayered Materials and Intermetallic Compounds P. S. Lomdahl et al.: Recent Advances in High Performance Computer Simulations for Materials Science D. W. Brenner et al.: Multiscale Modeling of Polycrystalline Covalent Ceramics Kai Wang and Robert R. Reeber: High Temperature Thermal Property Prediction for MgO, KCl and ZnS Pei Zeng, Philip C. Clapp, and Jon A. Rifkin: Failure of Herring's Sintering Law at the Nanoscale Jeremy Q. Broughton: Atomistic Simulation of MEMS Devices via the Coupling of Length Scales Andrew V. G. Chizmeshya, W. T. Petusky, and G. H. Wolf: Thermoelastic Properties of Layered Perovskites: A Non-Empirical Density Functional Theory Approach Index

ISBN: 9780195120509
ISBN-10: 0195120507
Series: Topics in Physical Chemistry
Audience: Professional
Format: Hardcover
Language: English
Number Of Pages: 538
Published: 1st August 1999
Country of Publication: US
Dimensions (cm): 23.37 x 16.05  x 3.81
Weight (kg): 0.88