Cover image for Integrated computational materials engineering (ICME) for metals : concept and case studies
Title:
Integrated computational materials engineering (ICME) for metals : concept and case studies
Author:
Horstemeyer, Mark F. (Mark Fredrick), 1962- editor.
ISBN:
9781119018391

9781119018384

9781119018377
Physical Description:
1 online resource
Contents:
Definition of ICME -- Body centered cubic materials (iron, etc.) -- From electrons to atoms : designing an interatomic potential for Fe-C alloys -- Phase-field crystal modeling : integrating density functional theory, molecular dynamics and phase-field modeling -- Simulating dislocation plasticity in bcc metals by integrating fundamental concepts with macroscale models -- Heat treatment and fatigue of a carburized and quench hardened steel part -- Steel powder metal modeling -- Microstructure sensitive, history dependent internal state variable plasticity-damage model for a sequential tubing process -- Electrons to phases of magnesium -- Multiscale statistical study of twinning in Hcp metals -- Cast magnesium alloy corvette engine cradle -- Using an internal state variable (Isv)-multistage fatigue (Msf) sequential analysis for the design of a cast Az91 magnesium alloy front-end automotive component -- Electronic structures and materials properties calculations of Ni and Ni-based superalloys -- Nickel powder metal modeling illustrating atomistic-continuum friction laws -- Multiscale modeling of pure nickel -- Materials/structural design -- Predicting constitutive equations for materials design : a conceptual exposition -- A computational method for the design of materials accounting for the process-structure-property-performance (PSPP) relationship -- An engineering virtual organization for cyberdesign (EVOCD) : a cyberinfrastructure for integrated computational materials engineering (ICME) -- Integrated computational materials engineering (ICME) pedagogy.
Abstract:
And Conclusions 44 Acknowledgments 45 References 45 3 Phase-Field Crystal Modeling: Integrating Density Functional Theory, Molecular Dynamics, and Phase-FieldModeling 49; Mohsen Asle Zaeem and Ebrahim Asadi 3.1 Introduction to Phase-Field and Phase-Field Crystal Modeling 49 3.2 Governing Equations of Phase-Field Crystal (PFC) Models Derived from Density FunctionalTheory (DFT) 53 3.2.1 One-Mode PFC model 53 3.2.2 Two-Mode PFC Model 55 3.3 PFC Model Parameters by Molecular Dynamics Simulations 57 3.4 Case Study: Solid-Liquid Interface Properties of Fe 59 3.5 Case Study: Grain Boundary Free Energy of Fe at Its Melting Point 63 3.6 Summary and Future Directions 65 References 66 4 Simulating Dislocation Plasticity in BCCMetals by Integrating Fundamental Concepts with Macroscale Models 71; Hojun Lim, Corbett C.
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John Wiley and Sons
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