Applied computational materials modeling : theory, simulation and experiment

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 ma...

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Autres auteurs : Bozzolo Guillermo (Directeur de publication), Abel Phillip B. (Directeur de publication), Noebe Ronadl D. (Directeur de publication), Vij D. R. (Directeur de publication)
Format : Livre
Langue : anglais
Titre complet : Applied computational materials modeling : theory, simulation and experiment / edited by Guillermo Bozzolo, Ronadl D. Noebe, Phillip B. Abel, D.R. Vij
Publié : Boston, MA : Springer US , [20..]
Cham : Springer Nature
Accès en ligne : Accès Nantes Université
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Contenu : 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.
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