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

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Integrated Computational Materials Engineering (ICME):

The Next Big Thing In Materials

John AllisonThe University of MichiganDepartment of Materials Science and Engineering

August 3, 2011Materials Information Luncheon

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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

US National Materials Advisory Board - Committee on Integrated Computational Materials Engineering (ICME)

Tresa Pollock, ChairJohn Allison,Vice Chair

Integrated Computational

Materials Engineering

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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.

Integrated Computational Materials Engineering (ICME) is the integration of

materials information, captured in computational tools, with engineering

product performance analysis and manufacturing-process simulation.*

* NAE ICME Report, 2008

What is ICME?

ManufacturingProcess

Simulation

• Process & product

optimization • Innovation

MicrostructureDistribution

Property Distribution

Product Performance

Analysis



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 vehiclesSource: K. Bowcutt, Boeing

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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

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The Divide Separating Materials Science and Materials Engineering

Quantum Mechanics Theory

Aging Time (hours)

Agi

ng T

empe

ratu

re (

oC

)

Aging Time (hours)

Agi

ng T

empe

ratu

re (

oC

)

Kinetics Experiment

Thermal Growth )1(),(3 max

nkteTcfV

V

Calculated Phase Diagram

Predicted Volume Change

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Integrated Computational Materials Engineering provides a means to link:

• Science and Engineering

• Manufacturing, Materials and Design

• Experiments, Theory, Simulation

• Information Across Disciplines

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Ford Virtual Aluminum Castings

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Initial Geometry

Database ofMaterialProperties

Traditional Durability Analysis, ca 1985

PredictServiceLife

LoadInputs

Durable Component

Y

N

Finite Element Analysis

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Initial Geometry


Traditional Durability & Manufacturing Analysis, ca 1995

PredictServiceLife

LoadInputs

Durable Component

Y

NN

ModelCasting

EnsureCastability

Y

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Initial Geometry


Traditional Product Development Process

PredictServiceLife

LoadInputs

Durable Component

Y

NN

ModelCasting

EnsureCastability

Y

Build, Test,Re-Build,Re-Test

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PredictLocalMicro-structure

PredictServiceLife

LoadInputs

OptimizedComponent

Meet PropertyRequirements

N

Y

OptimizedProcess &Product

Y

N

PredictResidualStress

PredictLocalProperties

ModelCastingand HeatTreatment

ProductPropertyRequirements


Initial Geometry

AlloyComposition

EnsureCastability

Y

N

Virtual Aluminum Castings

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PredictLocalMicro-structure

PredictServiceLife

LoadInputs

OptimizedComponent

Meet PropertyRequirements

N

Y

OptimizedProcess &Product

Y

N

PredictResidualStress

PredictLocalProperties

ModelCastingand HeatTreatment



Initial Geometry

AlloyComposition

EnsureCastability

Y

N

Virtual Aluminum CastingsThe Ford Experiment in ICME

1 mEngine Block

1 – 10 mm

10 – 500m 0.1-1 nm

1-100 nm

The importance and complexityof “microstructure”

0.03-.3nm

Key materials processes: • occur at many microstructural scales• are all influenced by the manufacturing history• are three-dimensional in nature

Casting

PrecipitationMicro porosity Eutectic Phases

Chemistry

Thermodynamics

nSolution Treatment Aging

Heat TreatmentProcessing

Microstructure

PropertiesHigh Cycle Fatigue Low Cycle Fatigue Yield Strength Thermal Growth

Materials Engineering is all about compromises – ICME provides a means to conduct quantitative

tradeoffs

Cast Aluminum Processing-Structure-Property Linkages

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!

Casting

PrecipitationMicro porosity Eutectic Phases

Chemistry

Thermodynamics

nSolution Treatment Aging

Heat Treatment

Processing

Microstructure

Properties High Cycle Fatigue Low Cycle Fatigue Yield Strength Thermal Growth

Integration of knowledge domains isthe key to ICME

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Local Microstructure

Initial Geometry Casting Filling Casting Thermal History

Local Strength

Virtual Aluminum Castings Process Flow Local Strength Prediction

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Using Virtual Aluminum Castings in Product and Process Optimization

Aging temperature 240C for 5hrs

210 230

205

Aging at 250C for 3hrs

Optimized Heat Treatment ProcessFaster and Stronger !!

220

Initial Heat Treatment Process

Target Strength = 220 MPa

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Initial Geometry Filling Analysis Thermal Analysis

Local Porosity Local Fatigue Strength

Local Fatigue Strength Prediction

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Use of Local Fatigue PropertyPrediction for Process Development

Combustion Surface

84MPa 56MPa

Gravity Casting Low Pressure Casting

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Virtual Aluminum CastingsVirtual Aluminum Castings

Local Residual Stresses

Local Fatigue Properties

Component Durability

Linking Manufacturing, Materials and Design

Component DurabilityFinite Element Analysis

Targets

The VAC Business Case

• IMPROVE TIMING: Reduce product and process development time 15-25%• IMPROVE QUALITY:

• Improve launch 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

• 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”

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

Foundational Engineering Problems



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)

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19891995

19992001

2004 20102008 20112009

Courtesy of T. Pollock, UCSB

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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

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•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

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

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• Government initiatives - Materials Genome Initiative !

• Growing industrial activity

• Growing academic activity

• Growing professional society activity: TMS, ASM, ASME, AIAA, MRS

ICME – The Next Big Thing in Materials

First World ICME Congress July 2011

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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

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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!

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