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Integrated computational materials engineering (ICME) for metals : concept and case studies

Author: Mark F Horstemeyer
Publisher: Hoboken, NJ : John Wiley & Sons, 2018.
Edition/Format:   eBook : Document : EnglishView all editions and formats
Summary:
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  Read more...
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Genre/Form: Electronic books
Additional Physical Format: Print version:
Integrated computational materials engineering (ICME) for metals.
Hoboken, NJ : John Wiley & Sons, 2018
(DLC) 2017043470
Material Type: Document, Internet resource
Document Type: Internet Resource, Computer File
All Authors / Contributors: Mark F Horstemeyer
ISBN: 9781119018391 1119018390 9781119018384 1119018382 9781119018377 1119018374
OCLC Number: 1013496119
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.
Responsibility: edited by Mark F. Horstemeyer.

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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"This book can serve multiple purposes including a graduate-level text-book on multiscale modeling, a one-stop reference for the practicing researcher, and a great starting point for a researcher who Read more...

 
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