Computer-aided Design of High-temperature MaterialsAlexander Pechenik, R. K. Kalia, P. Vashishta Oxford University Press, 1999 - 525 pages 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. |
Contents
Creep of Silicon Nitride | 3 |
Grain Boundary Chemistry and Creep Resistance of Alumina | 18 |
The Structures of Liquid Yttrium and Aluminum Oxides | 34 |
Molecular Dynamics Simulation of the Sintering Process | 67 |
Scaling Phenomena in Crack Propagation | 105 |
Effect of Small Aluminum Additions on Mechanical | 121 |
Energy Minimization and Nonlinear Problems | 139 |
Coarsening of DirectionallySolidified Eutectic Microstructures | 163 |
Hybrid Classical and Quantum Modeling of Defects | 349 |
FirstPrinciples Pseudopotential Data Base of Silica | 365 |
Structural Correlations in Amorphous SiO2 at High Pressures | 374 |
Development of a Variational Augmented Plane Wave | 384 |
BandTheoretical Approach to the Superionic Conductivity | 393 |
Collaborative Virtual Reality Environments | 410 |
Multilevel Algorithms for Computational HighTemperature Materials | 422 |
Modified Gauss Point Method and Its Application in HTMS | 429 |
Fingering Instability in Dislocation Motion | 183 |
Directional Solidification of Eutectic Ceramics | 197 |
Computer Simulation of Microstructural Evolution | 212 |
The Weak Interface Between Monazites | 229 |
Structural Correlations and Stress Distribution | 244 |
Neutron Scattering Characterization of Microstructure | 267 |
Structure and Dynamics of Consolidation and Fracture | 323 |
Issues Involving Structural Stabilities in Multilayered | 439 |
Recent Advances in High Performance Computer Simulations | 455 |
Multiscale Modeling of Polycrystalline Covalent Ceramics | 461 |
High Temperature Thermal Property Prediction | 473 |
Atomistic Simulation of MEMS Devices via the Coupling of Length Scales | 491 |
521 | |