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Integrated Computational Materials Engineering (ICME) for Metals: Using Multiscale Modeling to Invigorate Engineering Design with Science

Book Description

State-of-the-technology tools for designing, optimizing, and manufacturing new materials

Integrated computational materials engineering (ICME) uses computational materials science tools within a holistic system in order to accelerate materials development, improve design optimization, and unify design and manufacturing. Increasingly, ICME is the preferred paradigm for design, development, and manufacturing of structural products.

Written by one of the world's leading ICME experts, this text delivers a comprehensive, practical introduction to the field, guiding readers through multiscale materials processing modeling and simulation with easy-to-follow explanations and examples. Following an introductory chapter exploring the core concepts and the various disciplines that have contributed to the development of ICME, the text covers the following important topics with their associated length scale bridging methodologies:

  • Macroscale continuum internal state variable plasticity and damage theory and multistage fatigue

  • Mesoscale analysis: continuum theory methods with discrete features and methods

  • Discrete dislocation dynamics simulations

  • Atomistic modeling methods

  • Electronics structures calculations

  • Next, the author provides three chapters dedicated to detailed case studies, including "From Atoms to Autos: A Redesign of a Cadillac Control Arm," that show how the principles and methods of ICME work in practice. The final chapter examines the future of ICME, forecasting the development of new materials and engineering structures with the help of a cyberinfrastructure that has been recently established.

    Integrated Computational Materials Engineering (ICME) for Metals is recommended for both students and professionals in engineering and materials science, providing them with new state-of-the-technology tools for selecting, designing, optimizing, and manufacturing new materials. Instructors who adopt this text for coursework can take advantage of PowerPoint lecture notes, a questions and solutions manual, and tutorials to guide students through the models and codes discussed in the text.

    Table of Contents

    1. Cover
    2. Title page
    3. Copyright page
    4. FOREWORD
    5. PREFACE
    6. ACKNOWLEDGMENTS
    7. CHAPTER 1 AN INTRODUCTION TO INTEGRATED COMPUTATIONAL MATERIALS ENGINEERING (ICME)
      1. 1.1 BACKGROUND
      2. 1.2 THE APPLICATION OF MULTISCALE MATERIALS MODELING VIA ICME
      3. 1.3 HISTORY OF MULTISCALE MODELING
      4. 1.4 ICME FOR DESIGN
      5. 1.5 ICME FOR MANUFACTURING
      6. 1.6 SUMMARY
    8. CHAPTER 2 MACROSCALE CONTINUUM INTERNAL STATE VARIABLE (ISV) PLASTICITY–DAMAGE THEORY AND MULTISTAGE FATIGUE (MSF)
      1. 2.1 INTRODUCTION
      2. 2.2 STRESS
      3. 2.3 KINEMATICS OF DEFORMATION AND STRAIN
      4. 2.4 CONTINUUM THEORY CONSTITUTIVE EQUATIONS
      5. 2.5 MULTISTAGE FATIGUE (MSF) MODELING
      6. 2.6 BRIDGING STRATEGIES FOR THE MACROSCALE AND THE MESOSCALE
      7. 2.7 EXPERIMENTAL EXPLORATION, CALIBRATION, AND VALIDATION AT THE MACROSCALE
      8. 2.8 SUMMARY
    9. CHAPTER 3 MESOSCALE ANALYSIS: CONTINUUM THEORY METHODS WITH DISCRETE FEATURES/METHODS
      1. 3.1 KINEMATICS OF CRYSTAL PLASTICITY
      2. 3.2 KINETICS OF CRYSTAL PLASTICITY
      3. 3.3 CRYSTAL ORIENTATIONS AND ELASTICITY
      4. 3.4 UPSCALING: BRIDGING THE CRYSTAL LEVEL TO THE POLYCRYSTALLINE CONTINUUM LEVEL
      5. 3.5 DOWNSCALING FROM CRYSTAL PLASTICITY TO DISLOCATION DYNAMICS
      6. 3.6 EXPERIMENTAL EXPLORATION, CALIBRATION, AND VALIDATION AT THE MESOSCALE
      7. 3.7 SUMMARY
    10. CHAPTER 4 DISCRETE DISLOCATION DYNAMICS SIMULATIONS
      1. 4.1 INTRODUCTION
      2. 4.2 METAL PLASTICITY MODELING
      3. 4.3 DISLOCATION MECHANICS BASICS
      4. 4.4 MODELING DISCRETE DISLOCATIONS
      5. 4.5 BOUNDARY CONDITIONS
      6. 4.6 UPSCALING FOR PLASTICITY
      7. 4.7 DOWNSCALING FROM DD TO ATOMISTICS
      8. 4.8 SUMMARY
    11. CHAPTER 5 ATOMISTIC MODELING METHODS
      1. 5.1 EAM POTENTIALS
      2. 5.2 MEAM POTENTIALS
      3. 5.3 UPSCALING: BRIDGING THE ATOMIC LEVEL TO THE DISLOCATION DENSITY LEVEL AND THE CONTINUUM LEVEL
      4. 5.4 SUMMARY
    12. CHAPTER 6 ELECTRONIC STRUCTURE CALCULATIONS
      1. 6.1 INTRODUCTION
      2. 6.2 WHY QUANTUM MECHANICS?
      3. 6.3 THEORETICAL BACKGROUND
      4. 6.4 POSTULATES OF QUANTUM MECHANICS
      5. 6.5 PRIOR TO DENSITY FUNCTIONAL THEORY (DFT)
      6. 6.6 DFT
      7. 6.7 UPSCALING: BRIDGING THE ELECTRON LEVEL TO THE ATOM LEVEL
      8. 6.8 SUMMARY
    13. CHAPTER 7 CASE STUDY: FROM ATOMS TO AUTOS: A REDESIGN OF A CADILLAC CONTROL ARM
      1. 7.1 INTRODUCTION
      2. 7.2 MACROSCALE MICROSTRUCTURE–PROPERTY INTERNAL STATE VARIABLE (ISV) PLASTICITY–DAMAGE MODEL
      3. 7.3 BRIDGES 1 AND 5: ELECTRONICS STRUCTURE CALCULATIONS: CONNECTIONS TO THE ATOMIC SCALE AND MACROSCALE CONTINUUM LEVEL
      4. 7.4 BRIDGES 2 AND 6: NANOSCALE ATOMISTIC SIMULATIONS: CONNECTIONS TO THE MICROSCALE AND MACROSCALE
      5. 7.5 BRIDGES 3 AND 7: MICROSCALE FINITE ELEMENT SIMULATIONS: CONNECTIONS TO THE MESOSCALE AND MACROSCALE
      6. 7.6 BRIDGES 4 AND 8: MESOSCALE 1 FINITE ELEMENT SIMULATIONS: CONNECTIONS TO THE MESOSCALE 2 AND MACROSCALE
      7. 7.7 BRIDGE 9: MESOSCALE 2 FINITE ELEMENT SIMULATIONS (IDEALIZED POROSITY): CONNECTIONS TO THE MACROSCALE
      8. 7.8 BRIDGE 10: MACROSCALE MATERIAL MODEL: CONNECTIONS TO THE MACROSCALE FINITE ELEMENT SIMULATIONS
      9. 7.9 PREDICTIVE MODELING OF STRUCTURAL COMPONENTS FOR THE CASE STUDY OF THE CAST A356 ALUMINUM ALLOY
      10. 7.10 DESIGN OPTIMIZATION WITH UNCERTAINTY OF THE AUTOMOTIVE CONTROL ARM
      11. 7.11 SUMMARY
    14. CHAPTER 8 CASE STUDY: A MICROSTRUCTURE–PROPERTY MULTISTAGE FATIGUE (MSF) ANALYSIS OF A CADILLAC CONTROL ARM
      1. 8.1 INTRODUCTION TO THE MECHANISMS OF FATIGUE IN CAST ALLOYS
      2. 8.2 MACROSCALE MSF MODEL
      3. 8.3 MACROSCALE MSF MODELING BRIDGES (UPSCALING AND DOWNSCALING)
      4. 8.4 SUMMARY
    15. CHAPTER 9 CASE STUDY: CONDUCTING A STRUCTURAL SCALE METAL FORMING FINITE ELEMENT ANALYSIS STARTING FROM ELECTRONICS STRUCTURES CALCULATIONS USING ICME TOOLS
      1. 9.1 INTRODUCTION
      2. 9.2 MODELING PHILOSOPHY
      3. 9.3 BRIDGE 1: ELECTRONICS PRINCIPLES TO ATOMISTIC SIMULATION CONNECTION
      4. 9.4 BRIDGE 2: ATOMISTIC SIMULATION TO DISLOCATION DENSITY SIMULATION CONNECTION
      5. 9.5 BRIDGE 3: DISLOCATION DENSITY TO CP SIMULATION CONNECTION
      6. 9.6 BRIDGE 9: CP TO MACROSCALE CONTINUUM SIMULATION CONNECTION
      7. 9.7 BRIDGE 12: MACROSCALE CONTINUUM MODEL TO THE STRUCTURAL SCALE SIMULATION OF THE SHEET FORMING PROBLEM
      8. 9.8 SUMMARY
    16. CHAPTER 10 THE NEAR FUTURE: ICME FOR THE CREATION OF NEW MATERIALS AND STRUCTURES
      1. 10.1 INTEGRATING PROCESS, STRUCTURE, PROPERTY, AND PERFORMANCE
      2. 10.2 ENERGY
      3. 10.3 INFRASTRUCTURE
      4. 10.4 TRANSPORTATION
      5. 10.5 NANO- AND MICROSTRUCTURES/SMALL DEVICES
      6. 10.6 SUMMARY
    17. Index