| Description |
1 online resource (715 pages) |
| Contents |
Cover; Title Page; Copyright; Contents; List of Contributors; Foreword; Preface; Chapter 1 Definition of ICME; 1.1 What ICME Is NOT; 1.1.1 Adding Defects into a Mechanical Theory; 1.1.2 Adding Microstructures to Finite Element Analysis (FEA); 1.1.3 Comparing Modeling Results to Structureâ#x80;#x93;Property Experimental Results; 1.1.4 Computational Materials; 1.1.5 Design Materials for Manufacturing (Processâ#x80;#x93;Structureâ#x80;#x93;Property Relationships); 1.1.6 Simulation through the Process Chain; 1.2 What ICME Is; 1.2.1 Background; 1.2.2 ICME Definition; 1.2.3 Uncertainty; 1.2.4 ICME Cyberinfrastructure |
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1.3 Industrial Perspective1.4 Summary; References; Section I Bodyâ#x80;#x90;Centered Cubic Materials; Chapter 2 From Electrons to Atoms: Designing an Interatomic Potential for Feâ#x80;#x93;C Alloys; 2.1 Introduction; 2.2 Methods; 2.2.1 MEAM Calculations; 2.2.2 DFT Calculations; 2.3 Singleâ#x80;#x90;Element Potentials; 2.3.1 Energy versus Volume Curves; 2.3.1.1 Singleâ#x80;#x90;Element Material Properties; 2.4 Construction of Feâ#x80;#x93;C Alloy Potential; 2.5 Structural and Elastic Properties of Cementite; 2.5.1 Singleâ#x80;#x90;Crystal Elastic Properties; 2.5.2 Polycrystalline Elastic Properties; 2.5.3 Surface Energies |
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2.5.4 Interstitial Energies2.6 Properties of Hypothetical Crystal Structures; 2.6.1 Energy versus Volume Curves for B1 and L12 Structures; 2.6.2 Elastic Constants for B1 and L12 Structures; 2.7 Thermal Properties of Cementite; 2.7.1 Thermal Stability of Cementite; 2.7.2 Melting Temperature Simulation; 2.7.2.1 Preparation of Twoâ#x80;#x90;Phase Simulation Box; 2.7.2.2 Twoâ#x80;#x90;Phase Simulation; 2.8 Summary and Conclusions; Acknowledgments; References; Chapter 3 Phaseâ#x80;#x90;Field Crystal Modeling: Integrating Density Functional Theory, Molecular Dynamics, and Phaseâ#x80;#x90;Field Modeling |
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3.1 Introduction to Phaseâ#x80;#x90;Field and Phaseâ#x80;#x90;Field Crystal Modeling3.2 Governing Equations of Phaseâ#x80;#x90;Field Crystal (PFC) Models Derived from Density Functional Theory (DFT); 3.2.1 Oneâ#x80;#x90;Mode PFC model; 3.2.2 Twoâ#x80;#x90;Mode PFC Model; 3.3 PFC Model Parameters by Molecular Dynamics Simulations; 3.4 Case Study: Solidâ#x80;#x93;Liquid Interface Properties of Fe; 3.5 Case Study: Grain Boundary Free Energy of Fe at Its Melting Point; 3.6 Summary and Future Directions; References; Chapter 4 Simulating Dislocation Plasticity in BCC Metals by Integrating Fundamental Concepts with Macroscale Models |
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4.1 Introduction4.2 Existing BCC Models; 4.3 Crystal Plasticity Finite Element Model; 4.4 Continuumâ#x80;#x90;Scale Model; 4.5 Engineering Scale Applications; 4.6 Summary; References; Chapter 5 Heat Treatment and Fatigue of a Carburized and Quench Hardened Steel Part; 5.1 Introduction; 5.2 Modeling Phase Transformations and Mechanics of Steel Heat Treatment; 5.3 Data Required for Modeling Quench Hardening Process; 5.3.1 Dilatometry Data; 5.3.2 Mechanical Property Data; 5.3.3 Thermal Property Data; 5.3.4 Process Data; 5.3.5 Furnace Heating; 5.3.6 Gas Carburization; 5.3.7 Immersion Quenching |
| Notes |
5.4 Heat Treatment Simulation of a Gear |
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Print version record |
| Subject |
Materials science -- Data processing
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Metal products -- Computer simulation
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Metals -- Metals -- Mathematical models
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Multiscale modeling.
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Materials science -- Data processing
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Multiscale modeling
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| Form |
Electronic book
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| ISBN |
9781119018391 |
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1119018390 |
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