View
2
Download
0
Category
Preview:
Citation preview
Engineering Conferences InternationalECI Digital ArchivesHarnessing The Materials Genome: AcceleratedMaterials Development via Computational andExperimental Tools
Proceedings
Fall 10-1-2012
A Software Framework for Designing MaterialDavid CebonUniversity of Cambridge
Mike AshbyGranta Design ltd
Follow this and additional works at: http://dc.engconfintl.org/materials_genome
Part of the Biomedical Engineering and Bioengineering Commons
This Conference Proceeding is brought to you for free and open access by the Proceedings at ECI Digital Archives. It has been accepted for inclusion inHarnessing The Materials Genome: Accelerated Materials Development via Computational and Experimental Tools by an authorized administrator ofECI Digital Archives. For more information, please contact franco@bepress.com.
Recommended CitationDavid Cebon and Mike Ashby, "A Software Framework for Designing Material" in "Harnessing The Materials Genome: AcceleratedMaterials Development via Computational and Experimental Tools", J.-C. Zhao, The Ohio State Univ.; M. Asta, Univ. of CaliforniaBerkeley; Peter Gumbsch Institutsleiter Fraunhofer-Institut fuer Werkstoffmechanik IWM; B. Huang, Central South University Eds,ECI Symposium Series, (2013). http://dc.engconfintl.org/materials_genome/4
A SOFTWARE FRAMEWORK FOR DESIGNING MATERIALS
© D Cebon, MF Ashby 9/2012
ECI Conference on Harnessing the Materials Genome
David Cebon and Mike AshbyUniversity of Cambridge
& Granta Design Ltd
Presentation Contents
1. Background
2. A Framework for Multiscale Modeling
3. A Framework for Materials Design3. A Framework for Materials Design
4. Case Study – Hybrid Synthesis
5. Conclusions
Harnessing the Materials Genome
Aim of the MGI:
• Rapid development and insertion of new materials?
Essential components of the solution:
• Material structure and property prediction software
• Material design methodologies and tools• Material design methodologies and tools
Analogy – Mechanical Product Development...
• Developed since 1960s, $20b per year industry
• Computer Aided Design (CAD):
�Pro/Engineer (PTC); CATIA (Dassault); NX (Siemens); Inventor (Autodesk)...
• Product Lifecycle Management (PLM):
�Windchill (PTC); ENOVIA (Dassault); Teamcenter (Siemens); PLM360 (Autodesk)...
What are the equivalents of CAD and PLM for Materials Development?
Systematic Material Selection:‘Material indices’
FUNCTION
Tie
Beam
Each combination of
Function
ConstraintObjectiveFree variable
has a
characterising material index
CONSTRAINTS
Stiffnessspecified
OBJECTIVE
Minimise this!
Shaft
Column
Mechanical,Thermal,
Electrical...
specified
Strengthspecified
Fatigue limit
Geometryspecified
Minimum cost
Minimumweight
Maximum energy storage
Minimum eco- impact
Minimise this!
INDEX
σ
ρ=
y
M
INDEX
ρ=
2/1EM
A Framework for Multiscale Modelling
© D Cebon, MF Ashby 9/2012
A Framework for Multiscale Modelling
Multiscale Modelling
1.E-05
1.E-04
1.E-03
1.E-02
1.E-01
1.E+00Information Management:
Store the answer...
Leng
th S
cale
(m
) Enhanced nonlocal& strain gradient
plasticity
Macro FEA
1.E-12
1.E-11
1.E-10
1.E-09
1.E-08
1.E-07
1.E-06
1.E-14 1.E-12 1.E-10 1.E-08 1.E-06 1.E-04 1.E-02 1.E+00 1.E+02 1.E+04
Requirements flow:
... Ask the question
Leng
th S
cale
(m
)
Time Scale (Seconds)
0 1 2 3 4
Molecular dynamicsFirst Principles
Single defectCalibration
Discrete Disloc’nPlasticity
Proposed Architecture
Data Analysis &
ProcessTesting
Input data interface
Test data
MaterialTesting
Virtual data
Computational tools:
Output data interface
Data Visualization &
Informatics Tools
Data Analysis &
Transformation DatabaseMaterial
properties, pedigree, allowables, etc
Material selection & interface to CAE tools
Computational tools:• Material structure & props• Process models
Proposed Architecture
Data Analysis &
ProcessTesting
Input data interface
Test data
MaterialTesting
Virtual data
Workflow &
Computational tools:
Universal connection tool:• Translate names, units, etc• Write computed results to database• Document calculations & assumptions
Output data interface
Data Visualization &
Informatics Tools
Data Analysis &
Transformation DatabaseMaterial
properties, pedigree, allowables, etc
Material selection & interface to CAE tools
Universal connection tool:• Interrogate Database• Translate names, units, etc• Import data into computational tool
&
Optimizer
Computational tools:• Material structure & props• Process models
Needs: from commercial applications
Specify material performance requirements� ‘Hole in property space’
Material property synthesis
Systematic Materials Design (CAD)
Material property synthesis
Processability and cost modelling
Make, test, iterate
Eureka!
Research Framework:Material Property Synthesis
Alloys Polymers Ceramics
2. CompatibilityAtom size, solubility, structure,non-equilibrium systems, etc
Combination rules for alloy systemsSelect by Analogy 'Enlightened Empiricism’
Neural Networks, etc
1. TrajectoryGuidance
Hybrids
MaterialProperty
Charts & Indices
‘Manufactured’Compatibility
3. MicrostructurePrediction
Thermodynamic models- eg CALPHAD methodMeso phase models
4. PropertyPrediction
Many modelling approaches at various length scalesQuantum mechanics,dynamics
Molecular mechanics and dynamics, Meso phase modelling
5. Evaluation& OptimalSelection
Numerical and graphical methods
↑
CaseStudy
Specified by designer
MicromechanicalModels
Graphical Optimization
Methods
Case StudyLight, Stiff Panels: Hybrid Synthesis
© D Cebon, MF Ashby 9/2012
Light, Stiff Panels: Hybrid Synthesis
Systematic Material Selection:‘Material indices’
FUNCTION
Tie
Beam
Each combination of
Function
ConstraintObjectiveFree variable
has a
characterising material index
CONSTRAINTS
Stiffnessspecified
OBJECTIVE
Minimise this!
Shaft
Column
Mechanical,Thermal,
Electrical...
specified
Strengthspecified
Fatigue limit
Geometryspecified
Minimum cost
Minimumweight
Maximum energy storage
Minimum eco- impact
INDEX
ρ=
2/1EM
Innovation through macrostructure
Image courtesy Dr. Sacha PetersFrom “Manufacturing Material Effects”
Image courtesy Dr. Sacha PetersFrom “Manufacturing Material Effects”
BASF Neopor EPS foam Courtesy University of Liverpool
Configurations
Triangulated
cell faces
Lattice cell
Reliable models exist for theirmechanical, thermal, electrical properties, acoustic properties
Sandwich cell
Conclusions
1. Multiscale modelling:
• Is necessary to predict macro-scale properties
• Is achievable in some areas, distant future in others
• Co-managing simulation and test data is a good way forward
• ���� ‘Materials Lifecycle Management’ (MLM)
2. Materials design:
• Individual software components exist, but not integrated
• Proposed framework for ‘Materials CAD’: demonstrated for hybrid materials
3. Research and Technology Development Needs:
• Development of a rich, open framework for integrating multiscale modelling tools and sharing of test data and virtual data
• Data, interface and communications standards
• Development of multiscale modelling ‘recipes’ for key material classes
• Development materials design tools
� A Grand Challenge…
Recommended