Integrated Computational Materials Engineering (ICME): The Next Big Thing In Materials

1. Integrated Computational Materials Engineering (ICME): The Next Big Thing In Materials John Allison The University of Michigan Department of Materials Science and Engineering August 3, 2011 Materials Information Luncheon

2. Outline • Integrated Computational Materials Engineering (ICME) – What it is and why it’s important • Virtual Aluminum Castings – An ICME case study at Ford Motor Co. • ICME – An “emerging discipline” at a tipping point

3. US National Materials Advisory Board - Committee on Integrated Computational Materials Engineering (ICME)Tresa Pollock, ChairJohn Allison,Vice Chair

4. The Vision Computationally-driven materials development is a core activity of materials professionals in the upcoming decades, uniting materials science with materials engineering and integrating materials more holistically and computationally with product development. 4

5. What is ICME? Integrated Computational Materials Engineering (ICME) is the integration of materials information, captured in computational tools, with engineering product performance analysis and manufacturing-process simulation.* Manufacturing Process Simulation Product Performance Analysis Microstructure Distribution Property Distribution • Process & product optimization • Innovation * NAE ICME Report, 2008

6. Using advanced computational techniques, designs can be studied and optimized in matters of hours or days. Optimization of new materials must be done experimentally and can take 10-20 years. Shape optimization of hypersonic vehicles Source: K. Bowcutt, Boeing

7. Why this is important • Innovations in materials and tight coupling of component design, materials and manufacturing have been key sources of industrial competitiveness • These innovations and tight coupling are threatened by advances in computational capability in design and manufacturing that have “left materials field in the dust”. • The global economy requires efficient engineering, manufacturing and R&D

8. Quantum Mechanics Theory g Calculated Phase Diagram Kinetics Experiment Predicted Volume Change Thermal Growth The Divide Separating Materials Science and Materials Engineering

9. Integrated Computational Materials Engineering provides a means to link: • Science and Engineering • Manufacturing, Materials and Design • Experiments, Theory, Simulation • Information Across Disciplines 8

10. Ford Virtual Aluminum Castings

11. Load Inputs Durable Component Predict Service Life Y N Database of Material Properties Traditional Durability Analysis, ca 1985 Initial Geometry Finite Element Analysis

12. Ensure Castability Model Casting Y Database of Material Properties Traditional Durability & Manufacturing Analysis, ca 1995 Load Inputs Initial Geometry Durable Component Predict Service Life Y N N

13. Ensure Castability Model Casting Y Database of Material Properties Traditional Product Development Process Load Inputs Initial Geometry Durable Component Build, Test, Re-Build, Re-Test Predict Service Life Y N N

14. Alloy Composition Virtual Aluminum Castings Product Property Requirements Product Property Requirements Predict Residual Stress Load Inputs Optimized Process & Product Optimized Component Meet Property Requirements Ensure Castability Initial Geometry Predict Local Micro- structure Model Casting and Heat Treatment Predict Service Life Predict Local Properties Y Y Y N N N

15. Alloy Composition Virtual Aluminum Castings The Ford Experiment in ICME Product Property Requirements Product Property Requirements Predict Residual Stress Load Inputs Optimized Process & Product Optimized Component Meet Property Requirements Ensure Castability Initial Geometry Predict Local Micro- structure Model Casting and Heat Treatment Predict Service Life Predict Local Properties Y Y Y N N N

16. The importance and complexity of “microstructure” 1 m Engine Block 1 – 10 mm 0.1-1 nm • 10 – 500mm 1-100 nm • Key materials processes: • occur at many microstructural scales • are all influenced by the manufacturing history • are three-dimensional in nature 0.03-.3nm

17. High Cycle Fatigue Low Cycle Fatigue Yield Strength Thermal Growth Cast Aluminum Processing-Structure-Property Linkages Materials Engineering is all about compromises – ICME provides a means to conduct quantitative tradeoffs Heat Treatment Casting Processing Solution Treatment n Aging Chemistry Thermodynamics Microstructure Micro porosity Eutectic Phases Precipitation Properties

18. Materials represents a different class of computational problem • Materials response and behavior involve a multitude of physical phenomena with no single overarching modeling approach. • Capturing the essence of a material requires integration of a wide range of modeling approaches dealing with separate and often competing mechanisms and a wider range of length and time scales. • There are over 160,000 engineering materials! Processing Heat Treatment Casting Solution Treatment n Aging Chemistry Thermodynamics Micro porosity Eutectic Phases Precipitation Microstructure Properties High Cycle Fatigue Low Cycle Fatigue Yield Strength Thermal Growth Integration of knowledge domains is the key to ICME

19. Initial Geometry Casting Filling Casting Thermal History Local Strength Virtual Aluminum Castings Process Flow Local Strength Prediction Local Microstructure

20. 230 Aging at 250C for 3hrs 220 205 Optimized Heat Treatment Process Faster and Stronger !! Using Virtual Aluminum Castings in Product and Process Optimization Target Strength = 220 MPa 210 Aging temperature 240C for 5hrs Initial Heat Treatment Process

21. Local Fatigue Strength Prediction Initial Geometry Filling Analysis Thermal Analysis Local Porosity Local Fatigue Strength

22. Use of Local Fatigue PropertyPrediction for Process Development Combustion Surface 84MPa 56MPa Low Pressure Casting Gravity Casting

23. Virtual Aluminum Castings Linking Manufacturing, Materials and Design Local Residual Stresses Component Durability Component Durability Finite Element Analysis Local Fatigue Properties

24. The VAC Business Case Targets • IMPROVE TIMING: Reduce product • and process development time 15-25% • IMPROVE QUALITY: • Improvelaunch quality /reduce scrap • Eliminate failures during product development • Ensure high mileage durability • IMPROVE PERFORMANCE: • Enable high performance heads & blocks • Reduce weight of components • REDUCE COST: • Reduce costs by over $120M • GLOBAL USERS • North American Powertrain Operations • European Powertrain Ops • Ford of China • Ford of Australia • Mazda

25. Early ICME implementations have been successful in a wide variety of industries A return-on-investment in the range of 3:1 to 9:1 can be realized. Typical investments were in the $5-20M range. ICME “Case Studies” have demonstrated the promise “ICME is in an embryonic stage. For ICME to succeed, it must be embraced as a discipline by the materials profession”

26. Foundational Engineering Problems • Include a manufacturing process(es), a materials system and an application or set of applications that define the critical set of materials properties and geometries • Examples of FEPs • Lightweight, blast resistant structures • Turbine disks for aeropropulsion • $10-40M per FEP (3-5 year funding) • Prioritize modeling, experimental, data issues to be tackled • Provide a framework for assembly of multidisciplinary teams • Provide near-term payoff • Serve as the foundation for this emerging discipline

27. Cyberinfrastructure for ICME • To fully reach its potential, ICME requires new advances in networking, computing, and software: • Curated, repositories for data and material models and simulation tools • Linkage of application codes with diverse materials modeling tools • Geographically dispersed collaborative research • Dispersed computational resources (Grid computing)

28. Courtesy of T. Pollock, UCSB 1989 1995 2001 1999 2010 2009 2008 2004 2011

29. Materials Genome Initiative . . . This initiative offers a unique opportunity for the United States to discover, develop, manufacture, and deploy advanced materials at least twice as fast as possible today, at a fraction of the cost. President Barack Obama, 24 June 2011 Announcing the Materials Genome Initiative

30. ICME – The Next Big Thing in Materials “ICME is in an embryonic stage. For ICME to succeed, it must be embraced as a discipline by the materials profession” NMAB Report, 2008 • The concept is fundamental and has the potential to have a pervasive impact • Global recognition that ICME is feasible and important • North America: ICME • Europe: Through-Process Modeling • China:集成计算材料工程 • Computational capability is no longer a limitation

31. ICME – The Next Big Thing in Materials • Government initiatives - Materials Genome Initiative ! • Growing industrial activity • Growing academic activity • Growing professional society activity: TMS, ASM, ASME, AIAA, MRS First World ICME Congress July 2011

32. ICME – An Emerging Discipline At A Tipping Point • Broaden involvement of the materials community • Coordination & Planning • ICME Roadmaps • ICME development (including basic science) as an integral part of all major materials and manufacturing development programs • Develop sustained efforts in: • Integrated computational and experimental materials science coupled with - • Foundational Engineering Problems as demonstrators • Information Infrastructure • Commercial Integrated Software • Education

33. Summary • Integrated Computational Materials Engineering (ICME) is a new approach for integrating • Materials, manufacturing and design • Science and engineering • Experiment, theory and simulation • Early stage developments clearly demonstrate the value of ICME. • ICME is an emerging discipline that promises to transform materials science and engineering and lead to increased industrial efficiency and competitiveness. • To fully and efficiently realize the promise of ICME there is a need for a global information infrastructure and coordinated, sustained efforts - a grand challenge!