2007

Applied Computational Materials Modeling

Theory, Simulation and Experiment

Editors:

ISBN: 978-0-387-23117-4 (Print) 978-0-387-34565-9 (Online)

Table of contents (14 chapters)

  1. Front Matter

    Pages i-xvi

  2. No Access

    Book Chapter

    Pages 1-34

    Ab initio modeling of alloy phase equilibria

  3. No Access

    Book Chapter

    Pages 35-53

    Use of computational thermodynamics to identify potential alloy compositions for metallic glass formation

  4. No Access

    Book Chapter

    Pages 55-84

    How does a crystal grow? Experiments, models and simulations from the nano- to the micro-scale regime

  5. No Access

    Book Chapter

    Pages 85-108

    Structural and electronic properties from first-principles

  6. No Access

    Book Chapter

    Pages 109-169

    Synergy between material, surface science experiments and simulations

  7. No Access

    Book Chapter

    Pages 171-213

    Integration of first-principles calculations, calphad modeling, and phase-field simulations

  8. No Access

    Book Chapter

    Pages 215-254

    Quantum approximate methods for the atomistic modeling of multicomponent alloys

  9. No Access

    Book Chapter

    Pages 255-306

    Molecular orbital approach to alloy design

  10. No Access

    Book Chapter

    Pages 307-342

    Application of computational and experimental techniques in intelligent design of age-hardenable aluminum alloys

  11. No Access

    Book Chapter

    Pages 343-367

    Multiscale modeling of intergranular fracture in metals

  12. No Access

    Book Chapter

    Pages 369-390

    Multiscale modeling of deformation and fracture in metallic materials

  13. No Access

    Book Chapter

    Pages 391-414

    Frontiers in surface analysis: Experiments and modeling

  14. No Access

    Book Chapter

    Pages 415-449

    The evolution of composition and structure at metal-metal interfaces: Measurements and simulations

  15. No Access

    Book Chapter

    Pages 451-483

    Modeling of low enrichment uranium fuels for research and test reactors

  16. Back Matter

    Pages 485-491