Applied Computational Materials Modeling Theory, Simulation and Experiment /

• Corporate Author: SpringerLink (Online service)
• Other Authors: Bozzolo, Guillermo (Editor), Noebe, Ronadl D. (Editor), Abel, Phillip B. (Editor), Vij, D.R (Editor)
• Format: Electronic eBook
• Language: English
• Published: Boston, MA : Springer US, 2007.
• Subjects: Materials science.; Physics.; Condensed matter.; Computational intelligence.; Engineering design.; Materials Science.; Materials Science, general.; Computational Intelligence.; Condensed Matter Physics.; Numerical and Computational Physics.; Engineering Design.

Applied Computational Modeling identifies and emphasizes the successful link between computational materials modeling as a simulation and design tool and its synergistic application to experimental research and alloy development. Compared to other areas in science where computational modeling has m...

Table of Contents:

• Ab initio modeling of alloy phase equilibria
• Use of computational thermodynamics to identify potential alloy compositions for metallic glass formation
• How does a crystal grow? Experiments, models and simulations from the nano- to the micro-scale regime
• Structural and electronic properties from first-principles
• Synergy between material, surface science experiments and simulations
• Integration of first-principles calculations, calphad modeling, and phase-field simulations
• Quantum approximate methods for the atomistic modeling of multicomponent alloys
• Molecular orbital approach to alloy design
• Application of computational and experimental techniques in intelligent design of age-hardenable aluminum alloys
• Multiscale modeling of intergranular fracture in metals
• Multiscale modeling of deformation and fracture in metallic materials
• Frontiers in surface analysis: Experiments and modeling
• The evolution of composition and structure at metal-metal interfaces: Measurements and simulations
• Modeling of low enrichment uranium fuels for research and test reactors.