higher-order localization relationships using the mks approach
DESCRIPTION
Presentation on a parallelizable, effective models technique to replace costly simulation techniques (e.g. Finite Element Models or Phase Field Simulation). This presentation was given at the ASME 2011 Applied Mechanics and Materials Conference In Chicago, IL.TRANSCRIPT
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Higher-Order Localization Relationships Using the MKS Approach
Tony Fast and Surya R. Kalidindi
Department of Materials Science and Engineering
Drexel University
Philadelphia,PA
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Material Hierarchy
McDowell DL. A perspective on trends in multiscale plasticity. International Journal of Plasticity 2010;26:1280.c
LOCALIZATION ~ TOP-DOWN
HOMOGENIZATION ~ BOTTOM-UP
Localization is important to track microstructure evolution at lower length scales in concurrent multiscale modeling
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Concurrent Multi-scaling
1. Homogenize coarse scale2. Isolate region where homogenization fails 3. Implement lower scale numerical simulations4. Isolate region where homogenization fails 5. Implement fine scale numerical simulations
…..
Liu W, McVeigh C. Computational Mechanics 2008;42:147
Quasicontinuum, Bridging Scale Method
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Develop efficient, effective localization models for DNS to reduce cost
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• Many Inputs and Many Outputs• Repetitive simulation is demanding
• Simulation produces a lot of data, but what information is determined about the system?
microstructure signal local response
Stress, strain, evolution
DATA VS. KNOWLEDGE
How can information about new structures be extracted?What knowledge is gained?
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• DSP representation of local structure-local response• Localization relationship and its influence coefficients
• Extended from Kroner’s Green’s function
• Influence coefficients capture the combined point effects of the MS configuration on the local response
microstructure signal local response influence coefficients
DATA VS. KNOWLEDGE
𝑝𝑠=∑𝑡=0
𝑆−1
∑𝑖=1
𝐼
𝑎❑𝑖𝑡𝑚
𝑖𝑠+𝑡❑
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microstructure signal local response influence coefficients
DATA VS. KNOWLEDGE
𝑝𝑠=∑𝑡=0
𝑆−1
∑𝑖=1
𝐼
𝑎❑𝑖𝑡𝑚
𝑖𝑠+𝑡❑
In the Materials Knowledge System, influence coefficients capture knowledge (physics) of the system as a convolution filter with the microstructure. They provide a database to efficiently
extract, store, and recall local microstructure-processing-property linkages.
Facilitates exploration of the local response of other MS configurations
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Microstructure is inherently discrete because of probe size and resolution limits of physical model or characterization method
Microstructure
Position (s)
FIRST-ORDER FILTERDecompose MS into salient features
{𝑠1 ,𝑠2 ,𝑠3 }→𝑠
is the digital MS signal
𝑚1𝑠❑
𝑚2𝑠❑
DISCRETE MICROSTUCTURE TO DIGITAL SIGNAL
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Spinodal decomposition of binary alloy
– Phase field modeling
Elastic and Thermo-Elastic Response of Dual Phase Composites
– Finite Element Analysis
Materials Knowledge SystemsEffective Localization Models
Evolution Field
Accuracy
5.12
1 E
E
𝑝𝑠=∑𝑡=0
𝑆−1
∑𝑖=1
𝐼
𝑎❑𝑖𝑡𝑚
𝑖𝑠+𝑡❑
Landi, G., S. R. Niezgoda, et al. (2009). Acta Materialia 58(7): 2716-2725T. Fast, S. R. Niezgoda, S. R. Kalidindi, Acta Materialia 59, 699 (2011)..
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Establishing Knowledge Databases
• Coefficients calibrated to validated direct numerical simulations
• Calibration using OLSF facilitated by decoupling spatial components using Fourier transform
– Drastic reduction in complexity and parallelizable
• Limited to weakly nonlinear systems linkages assumed to be linear• Further extension relies on nonlinear system identification methods
𝔍 (𝑝𝑠 )𝑘=∑h=1
𝐻
𝐴❑h𝑘𝑀
h𝑘❑𝔍𝑝𝑠=∑
𝑡=0
𝑆−1
∑h=1
𝐻
𝑎❑h𝑡𝑚
h𝑠+𝑡❑
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First Order Filter
<s+1> Higher-Order Filter <s+2> Higher-Order Filter
Higher-Order Microstructure Signals
Number of HO signals grows rapidly
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Higher-Order Coefficients (Convolution Filters)
Strain
• IC relating to Higher-Order Signals are Volterra kernels that capture strong nonlinear interactions
𝑝𝑠=∑𝑡=0
𝑆−1
∑𝑖=1
𝐼
𝑎❑𝑖𝑡1~𝑚𝑖
𝑠+𝑡 1❑
H
h
H
h
S
t
S
t
htts
htts
hts
hhhttts
N N
N
N
N
Nmmmap
1 1
1
0
1
01 1
1
2
21
1
1
21
21
HO
𝔍 (𝑝𝑠 )𝑘=∑h=1
𝐻
𝐴❑h𝑘𝑀
h𝑘❑𝔍
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• Contrast (nonlinearity) – Young’s modulus ratio• Uniaxial 1-1 strain• Random distribution of phases in microstructure
Finite Element Simulation of Dual Phase Composite
2
1
E
E
FEMε=5e-4
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• Redundant signals translate to linear relationships in spectral domain
• Assumptions of HOIC– Nearest vectors (neighbors) contribute most– Higher-Order coefficients capture nonlinearity best
Protocols for Establishing Higher-Order Terms
Case Combination of Coefficients Selected1 First Order Coefficients2 Second Order Coefficients up to first neighbors3 Second Order Coefficients up to second neighbors
…
7 Second Order Coefficients up to sixth neighbors8 Seventh Order Coefficients up to first neighbors
9Seventh Order Coefficients up to first neighbors plus Second Order Coefficients from second neighbors to sixth neighbors
nsm
nm1nm3
nm5
nm6
nm2
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• Different HOICs calibrated from 400 FEM simulations• Training (calibration) set vs. Validation set describes how well knowledge is
captured
• Improvement in accuracy decreases with distant neighbors• Combining coefficients improves accuracy and precision while maintaining
tractability
52
1 E
E10
2
1 E
E
Stronger Contrast Knowledge Systems
Case 1: First Order Case 2 – 7: Second Order Case 8-9: Seventh Order
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Accurate Strain Localization
• HOIC of increasing order captures local information better
52
1 E
E10
2
1 E
E
• Drastic improvement of linkages of FOIC• Accuracy has a strong dependence on nonlinearity
Case 1: First Order Case 2 – 7: Second Order Case 8-9: Seventh Order
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Accurate Strain Distribution
Characteristics of distribution are improved particularly in the tails with HOIC
52
1 E
E10
2
1 E
E
Case 1: First Order Case 2 – 7: Second Order Case 8-9: Seventh Order
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Extension to larger domainsdrastic time savings
FEM required 45 min on supercomputerMKS required 15 seconds on a desktop computer
MKS – NlogN(N)
Case 9: Seventh-Order to First Neighborhood and Second-Order to Sixth Neighborhoods
153 influences coefficients have finite memory and decay to zero at larger distances
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Conclusions
• Higher-order coefficients are crucial in developing effective localization models for strongly nonlinearity systems
• Systematic selection of higher-order neighborhoods facilitated the development of this work– These concepts hinge off the finite-memory of the physical
interactions
• MKS provides drastic time savings over DNS particularly in the extension to larger spatial domains