2. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Overview
• Introduction
• Motivation
• Objectives
• Data
• Workflow
• Results
• Conclusions
3. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Introduction
• Al 7075-T6 is an older aluminum alloy
which is often used in aerospace
applications in a rolled sheet form.
• During processing it is common for
µm-sized particles to become
ingrained in the matrix
• The rolling leads to an interesting,
anisotropic distribution of constituent
particles.
[1]
4. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Motivation
• Fatigue due to cyclic loading
leads to component failure
• Early replacement of components
can waste millions of dollars
• Accurate life predictions reduce
this cost by extending usable part
life
• Current microstructurally small
fatigue predictions are too
conservative for shear loading
5. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Objectives
• Utilize reduced cost model to study particle distribution effect
on strain intensification
• Provide Fatigue Indicator Parameter (FIP) distribution to multi-
stage pipeline which will incorporate for microstructurally small
crack growth simulations
6. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Data
• Crystal Plasticity Calibration
6 21x21x21 delta microstructure simulations to train MKS influence coefficients
• Microstructure Reconstructions
10 200x200x200 reconstructions
Generated using David Turner’s neighborhood reconstruction software
• Microstructure Scans
6 scans of varying resolution from James Harris’ thesis
Between 100x100 μm and 1000x1000 μm
• Verification Microstructures
5 21x21x21 microstructures with particles to verify MKS predictions
7. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Reconstruction
[1]
8. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
MKS Introduction
• We will use a method typically referred to as MKS
Response localization for material informatics
Influence coefficients which act on the microstructure function
• Assume influence coefficients are independent of the
microstructure topology
Depends on thorough selection of microstructure function
First order calibration and summation
' '
' '
' '
...h h hh h h
s t s t tt s t s t t
h t h h t t
p m m m p
*h h
k k k
h
P M p
[2]
9. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
MKS Explanation
[2]
10. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
MKS Explanation
[2]
11. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Material System Definition
• Microstructure function 𝑚 𝑠
ℎ|𝑠 = 0,1, … , 𝑆 − 1; ℎ = 1,2
h=1, matrix
h=2, particle
s=spatial bins varying over the S volume
• Particle
Young’s Modulus: 169 GPa
Poisson Ratio: 0.34
• Matrix
Young’s Modulus: 69 Gpa
Poisson Ratio: 0.34
12. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Workflow
Simulated
Data
Train
Models
• Place into
wrapper
• Pickle
Test
Models
Quantify
Error
Predict
Strain
Field For
Large SVE
Predict
FIPs
13. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Fatigue Extrapolation
11 11
22 22
33 33
23 23
13 13
12 12
1 0 0 0
1 0 0 0
1 0 0 0
0 0 0 (1 2 ) / 2 0 0(1 )(1 2 )
0 0 0 0 (1 2 ) / 2 0
0 0 0 0 0 (1 2 ) / 2
E
1
2
p
FS
y
FIP k
3 2
2 3
p p p
ij ij ij ijS S
( )
3
tr
S I
[3]
14. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Reconstruction
[1]
15. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
2-Point Statistics
16. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Scaling Problem
Particle AutocorrelationMatrix Autocorrelation
17. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Trimmed 2 Point Statistics
18. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Error Quantification
Random “Particle” DistributionReconstruction
19. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Reconstruction Confidence Intervals
20. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
MKS Validation
21. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Predictions of FIPs
Shear 0.2% Uniaxial 0.2%
22. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Volumetric Averaging
• Analyzed varying sized
Gaussian kernels
• Apply kernel and normalize
by a blurred mask to negate
influence of 0 FIP particle
elements
• Reflect damage process
zone and reduce extreme
value problem caused by
discrete elements
23. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Predictions of FIPs
Shear 0.2% Uniaxial 0.2%
24. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Computational Efficiency
• Most costly part is generating reconstruction
6 hr per reconstruction on 4 cores
• Storage is cheap because binary microstructure function
87 kb per reconstruction
Develop and keep a library of reconstructions
• Predictions
1 hr average time for computation and analysis of FIPs for reconstruction on single core
Require large amount of memory in Python implementation (~100 GB)
Not feasible to explore this space using a crystal plasticity model and our current cluster
capability (~1600 elements per core for efficiency leads to 5000 cores)
25. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Conclusions
• Successfully implemented MKS for prediction of full strain
tensor for arbitrary loading conditions
• Incorporated plasticity extrapolation
• Verified reconstructions
• Sampled FIP distributions
• Anisotropic particle distributions contribute to observed fatigue
life disparity, but are not the only determining factor at this
scale
26. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Future Work
• Incorporate fully into multi-stage crack prediction model
• Pseudo-particles and local intensification effects added to
homogenized model
• Study crack nucleation under different loading conditions
Requires explicit crack modeling
Contrast issue for MKS
27. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Acknowledgements
• Dr. McDowell
• Dr. Kalidindi
• Postdoc
Dr. Hafeez
• Graduate Students
David Brough
Yuksel Yabansu
28. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Sources
1. Rollett, Anthony D., Robert Campman, and David Saylor.
"Three dimensional microstructures: statistical analysis of
second phase particles in AA7075-T651." Materials science
forum. Vol. 519. 2006.
2. http://materialsinnovation.github.io/pymks/rst/elasticity_2D.ht
ml
3. Fatemi, Ali, and Darrell F. Socie. "A Critical Plane Approach
to Multiaxial Fatigue Damage Including out‐of‐Phase
Loading." Fatigue & Fracture of Engineering Materials &
Structures 11.3 (1988): 149-165.
29. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Backup
30. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Cracked Particle
• Deformation can cause particles to become cracked
Cracks from particles often extend into the matrix and eventually cause part failure
31. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Uniaxial Fatigue Lives
32. The George W. Woodruff School of Mechanical Engineering School of Materials Science and Engineering
Fatigue Extrapolation
Editor's Notes
Chris
Chris
Chris
Chris
Fatigue model was calibrated for uniaxial crack growth data and performs microstructurally sensitive crack growth simulations with accurate prediction of the fatigue life for these loading conditions
The shear predictions utilizing the same calibration, however, do not accurately reflect experimental data found in literature
Chris
Chris
Chris
This was one of the most computationally expensive portions of the project. Each reconstruction takes upwards of 6 hours to converge on 4 cores.
Equivalent resolution of approximately ¼ um per element
Paul
Ps is the local response. P is the macroscopic response
Note that the complicated summation is unwrapped by an FFT and the responses computed in the Fourier space before performing an inverse FFT to find the spatial responses
H is microstructure state at position s in the volume
S+t ranges from 0 to the extent of the volume. Important to assume periodicity here given that we unwrap the summation using an FFT
Computed using convolution. Converted back into the spatial doman by inverse FFT
Paul
Paul
Eigen microstructure
Contrast note: ~2.5 which is within the range of contrasts acceptable for a single term MKS prediction when trained on a linear-elastic simulation
Paul
Paul
All of this is standard linear isotropic prediction of the local stress state from the strain state
We then assume monotonic loading conditions so we can simply relate the final stress state for a plastic strain
We then use the plasticity to predict our Fatigue Indicator Parameter using the Fatemi-Socie formulation
Chris
This was one of the most computationally expensive portions of the project. Each reconstruction takes upwards of 6 hours to converge on 4 cores.
Equivalent resolution of approximately ¼ um per element
Chris
Python Matplotlib, Matshow. Shows more contrast than PyMKS plotting methods. The higher intensity near edge of reconstruction is due to assumed periodicity. Note that these are the raw 2 point statistics that have not yet been cropped to the same scale. We do see similar features in the apparent bands of the stringers as well as the high intensity elongated area near the middle which is associated with a single string and larger individual particles.
Chris
We encountered a lot of the same scaling problems that other teams faced with 2 point statistics.
In our case, since we only have 2 phases, only one autocorrelation is unique. At first we were using the matrix autocorrelation, however this turned out to not be reflective of our actual reconstruction characteristics.
We were seeing comparable errors in the random reconstruction when compared to the actual reconstruction
Chris
We then decided to also compare only the reconstruction over the average stringer length, highlighted here. With this threshold we apply the same MSE and MAE statistics and verify numerically that the reconstructions are indeed a good recreation of the local behavior compared to the trivial random distribution.
Chris
Chris
To express how much of the information our reconstructions capture, we used a confidence interval to express the bounds. Note that we almost entirely capture the three largest microstructure scans and the remainder of the scans are reflective of the fact that none of these 2 point statistics are reflective of an RVE.
Clearly the long range order is also captured to a reasonable degree as shown but the CI bounds, however this is harder to quantify and the larger errors between the scanned images swamp out other error measures.
An additional note is that the long range order should not affect the predictions which will be relatively localized due to the coefficients trained on a smaller volumes
Paul
Note there is no correlation between the relative errors and the actual predicted value
Tend to under predict strain slightly with more outliers being over predictions than under
Paul
Number of bins is kept constant between all binning distances for direct comparison of the relative frequency measurements. The number was selected as 50 to have a sufficient number of samples in each bin > 10.
We observe two interesting trends here, both loading conditions produce a bimodal distribution of FIPs
The Uniaxial case produces a skewed right distribution with a secondary peak at 0.375 or an intensification from the far-field values of ~1.5x
The shear case only produces a second peak ~1.2x
These distributions show the same features and are almost identical among all reconstructions so only the aggregate is presented.
Paul
We apply a Gaussian averaging scheme with a standard deviation of 0.5 to smooth the extreme values while still sampling only local sensitivity. The blur disregards the 0 FIP response inside the particles by normalizing the blurred response by a blurred mask. We directly use the MS function as the input to the mask blurring.
Paul
Number of bins is kept constant between all binning distances for direct comparison of the relative frequency measurements. The number was selected as 50 to have a sufficient number of samples in each bin > 10.
Paul
Paul
Paul
Paul
Paul
Equivalent plastic strain / stress curve used to predict local plastic strain tensor from our MKS predicted local stress tensor. The range of interest is highlighted in the
While validating some of the initial errors we saw in training our full model, we also verified that the maximum plastic strain percent of total strain as 1.8% in the validation microstructures sampled