Processing Laue Microdiffraction Raster Scanning Patterns with Machine Learning Algorithms: A Case Study with a Fatigued Polycrystalline Sample
Abstract
:1. Introduction
2. Experiment
3. Methodology
3.1. Feature Extraction
3.2. Grid Segmentation
- (1)
- Calculate the logarithms of the number of grid points , and the mean and standard deviation of s;
- (2)
- Normalize into . Calculate the empirical cumulative distribution function of , i.e., , where is the number of s smaller than and is the total number of clusters;
- (3)
- Calculate the maximum absolute difference between the empirical cumulative distribution function and the theoretical cumulative distribution function of standard normal distribution , i.e., . The distance will be termed as KS distance hereinafter.
4. Discussion
- (1)
- in cluster 324, the spots were slightly streaked due to the penetration of the X-ray; the distinctively high silhouette coefficients indicated that the diffraction patterns in cluster 324 shared high resemblance compared to patterns in other clusters.
- (2)
- in cluster 67, the spots were elongated unidirectionally implying that one slip system was predominantly activated; the more distant from cluster 324 the more blurred the spots.
- (3)
- in cluster 111, some spots were multidirectionally streaked implying the activation of multiple slip systems; some spots were highly blurred or even indiscernable suggesting innegligible amount of statistically stored dislocations (SSDs) in the illuminated volume.
5. Summary
- (1)
- Both steps used the HAC algorithm since HAC algorithm could exploit the 2D connectivity in both the pixels of the diffraction patterns and the grid points of the raster scanning to ensure the continuity of segments and save the computation time.
- (2)
- A statistics-oriented criterion was proposed as a guideline to set the distance threshold in HAC algorithm which determined the number of segmentations, which yielded at least in our case more realist results than conventional criterion.
Author Contributions
Funding
Institutional Review Board Statement
Informed Consent Statement
Data Availability Statement
Acknowledgments
Conflicts of Interest
References
- Eckert, M. Disputed discovery: The beginnings of X-ray diffraction in crystals in 1912 and its repercussionsThis Laue centennial article has also been published in Zeitschrift für Kristallographie [Eckert (2012) Z. Kristallogr. 227, 27–35]. Acta Crystallogr. Sect. A Found. Crystallogr. 2012, 68, 30–39. [Google Scholar] [CrossRef] [Green Version]
- Chung, J.-S.; Ice, G.E. Automated indexing for texture and strain measurement with broad-bandpass x-ray microbeams. J. Appl. Phys. 1999, 86, 5249–5255. [Google Scholar] [CrossRef]
- Tamura, N.; Celestre, R.S.; MacDowell, A.A.; Padmore, H.; Spolenak, R.; Valek, B.C.; Chang, N.M.; Manceau, A.; Patel, J.R. Submicron x-ray diffraction and its applications to problems in materials and environmental science. Rev. Sci. Instrum. 2002, 73, 1369–1372. [Google Scholar] [CrossRef] [Green Version]
- Spolenak, R.; Brown, W.L.; Tamura, N.; MacDowell, A.A.; Celestre, R.S.; Padmore, H.; Valek, B.; Bravman, J.C.; Marieb, T.; Fujimoto, H.; et al. Local Plasticity of Al Thin Films as Revealed by X-Ray Microdiffraction. Phys. Rev. Lett. 2003, 90, 096102. [Google Scholar] [CrossRef]
- Tamura, N.; MacDowell, A.A.; Spolenak, R.; Valek, B.C.; Bravman, J.C.; Brown, W.L.; Celestre, R.S.; Padmore, H.A.; Batterman, B.W.; Patel, J.R. Scanning X-ray microdiffraction with submicrometer white beam for strain/stress and orientation mapping in thin films. J. Synchrotron Rad. 2003, 10, 137–143. [Google Scholar] [CrossRef]
- Zhou, G.; Kou, J.; Li, Y.; Zhu, W.; Chen, K.; Tamura, N. Quantitative Scanning Laue Diffraction Microscopy: Application to the Study of 3D Printed Nickel-Based Superalloys. Quantum Beam Sci. 2018, 2, 13. [Google Scholar] [CrossRef] [Green Version]
- Plancher, E.; Petit, J.; Maurice, C.; Favier, V.; Saintoyant, L.; Loisnard, D.; Rupin, N.; Marijon, J.-B.; Ulrich, O.; Bornert, M.; et al. On the Accuracy of Elastic Strain Field Measurements by Laue Microdiffraction and High-Resolution EBSD: A Cross-Validation Experiment. Exp. Mech. 2016, 56, 483–492. [Google Scholar] [CrossRef]
- Ors, T.; Micha, J.S.; Gey, N.; Michel, V.; Castelnau, O.; Guinebretière, R. EBSD-assisted Laue microdiffraction for microstrain analysis. J. Appl. Crystallogr. 2018, 51, 55–67. [Google Scholar] [CrossRef]
- Zhang, C.; Bieler, T.; Eisenlohr, P. Exploring the accuracy limits of lattice strain quantification with synthetic diffraction data. Scr. Mater. 2018, 154, 127–130. [Google Scholar] [CrossRef]
- Barabash, R.; Ice, G.E.; Larson, B.C.; Pharr, G.M.; Chung, K.-S.; Yang, W. White microbeam diffraction from distorted crystals. Appl. Phys. Lett. 2001, 79, 749–751. [Google Scholar] [CrossRef]
- Barabash, R.I.; Ice, G.E.; Walker, F. Quantitative microdiffraction from deformed crystals with unpaired dislocations and dislocation walls. J. Appl. Phys. 2003, 93, 1457–1464. [Google Scholar] [CrossRef]
- Zhang, C.; Balachandran, S.; Eisenlohr, P.; Crimp, M.A.; Boehlert, C.; Xu, R.; Bieler, T.R. Comparison of dislocation content measured with transmission electron microscopy and micro-Laue diffraction based streak analysis. Scr. Mater. 2018, 144, 74–77. [Google Scholar] [CrossRef]
- Yang, W.; Larson, B.; Tischler, J.; Ice, G.; Budai, J.; Liu, W. Differential-aperture X-ray structural microscopy: A submicron-resolution three-dimensional probe of local microstructure and strain. Micron 2004, 35, 431–439. [Google Scholar] [CrossRef]
- Barabash, R.I.; Ice, G.E.; Liu, W.; Barabash, O.M. Polychromatic microdiffraction characterization of defect gradients in severely deformed materials. Micron 2009, 40, 28–36. [Google Scholar] [CrossRef]
- Das, S.; Hofmann, F.; Tarleton, E. Consistent determination of geometrically necessary dislocation density from simulations and experiments. Int. J. Plast. 2018, 109, 18–42. [Google Scholar] [CrossRef]
- Larson, B.C.; Yang, W.; Ice, G.E.; Budai, J.; Tischler, J.Z. Three-dimensional X-ray structural microscopy with submicrometre resolution. Nature 2002, 415, 887–890. [Google Scholar] [CrossRef] [PubMed]
- Maaß, R.; Van Petegem, S.; Van Swygenhoven, H.; Derlet, P.M.; Volkert, C.A.; Grolimund, D. Time-Resolved Laue Diffraction of Deforming Micropillars. Phys. Rev. Lett. 2007, 99, 145505. [Google Scholar] [CrossRef] [Green Version]
- Ohashi, T.; Barabash, R.; Pang, J.; Ice, G.; Barabash, O. X-ray microdiffraction and strain gradient crystal plasticity studies of geometrically necessary dislocations near a Ni bicrystal grain boundary. Int. J. Plast. 2009, 25, 920–941. [Google Scholar] [CrossRef]
- Magid, K.; Florando, J.; Lassila, D.; Leblanc, M.; Tamura, N.; Morris, J. Mapping mesoscale heterogeneity in the plastic deformation of a copper single crystal. Philos. Mag. 2009, 89, 77–107. [Google Scholar] [CrossRef] [Green Version]
- Van Swygenhoven, H.; Van Petegem, S. The use of Laue microdiffraction to study small-scale plasticity. JOM 2010, 62, 36–43. [Google Scholar] [CrossRef] [Green Version]
- Deillon, L.; Verheyden, S.; Sanchez, D.F.; Van Petegem, S.; Van Swygenhoven, H.; Mortensen, A. Laue microdiffraction characterisation of as-cast and tensile deformed Al microwires. Philos. Mag. 2019, 99, 1866–1880. [Google Scholar] [CrossRef] [Green Version]
- Lauraux, F.; Yehya, S.; Labat, S.; Micha, J.; Robach, O.; Kovalenko, O.; Rabkin, E.; Thomas, O.; Cornelius, T.W. In-situ force measurement during nano-indentation combined with Laue microdiffraction. Nano Sel. 2021, 2, 99–106. [Google Scholar] [CrossRef]
- Shade, P.A.; Menasche, D.B.; Bernier, J.V.; Kenesei, P.; Park, J.S.; Suter, R.M.; Schuren, J.C.; Turner, T.J. Fiducial marker application method for position alignment of in situ multimodal X-ray experiments and reconstructions. J. Appl. Crystallogr. 2016, 49, 700–704. [Google Scholar] [CrossRef]
- Zhang, C.; Zhang, Y.; Wu, G.; Liu, W.; Xu, R.; Jensen, D.J.; Godfrey, A. Alignment of sample position and rotation during in situ synchrotron X-ray micro-diffraction experiments using a Laue cross-correlation approach. J. Appl. Crystallogr. 2019, 52, 1119–1127. [Google Scholar] [CrossRef] [Green Version]
- Hofmann, F.; Eve, S.; Belnoue, J.; Micha, J.-S.; Korsunsky, A.M. Analysis of strain error sources in micro-beam Laue diffraction. Nucl. Instrum. Methods Phys. Res. Sect. A Accel. Spectrometers Detect. Assoc. Equip. 2011, 660, 130–137. [Google Scholar] [CrossRef]
- Poshadel, A.; Dawson, P.; Johnson, G. Assessment of deviatoric lattice strain uncertainty for polychromatic X-ray microdiffraction experiments. J. Synchrotron Radiat. 2012, 19, 237–244. [Google Scholar] [CrossRef] [PubMed]
- Zhang, F.G.; Bornert, M.; Petit, J.; Castelnau, O. Accuracy of stress measurement by Laue microdiffraction (Laue-DIC method): The influence of image noise, calibration errors and spot number. J. Synchrotron Radiat. 2017, 24, 802–817. [Google Scholar] [CrossRef] [PubMed]
- Tamura, N. XMAS: A Versatile Tool for Analyzing Synchrotron X-ray Microdiffraction Data. In Strain and Dislocation Gradients from Diffraction; Imperial College Press: London, UK, 2014; pp. 125–155. [Google Scholar] [CrossRef]
- Kou, J.; Chen, K.; Tamura, N. A peak position comparison method for high-speed quantitative Laue microdiffraction data processing. Scr. Mater. 2018, 143, 49–53. [Google Scholar] [CrossRef] [Green Version]
- Zhou, G.; Zhu, W.; Shen, H.; Li, Y.; Zhang, A.; Tamura, N.; Chen, K. Real-time microstructure imaging by Laue microdiffraction: A sample application in laser 3D printed Ni-based superalloys. Sci. Rep. 2016, 6, 28144. [Google Scholar] [CrossRef] [Green Version]
- Song, Y.; Tamura, N.; Zhang, C.; Karami, M.; Chen, X. Data-driven approach for synchrotron X-ray Laue microdiffraction scan analysis. Acta Crystallogr. Sect. A Found. Adv. 2019, 75, 876–888. [Google Scholar] [CrossRef] [PubMed]
- Park, W.B.; Chung, J.; Jung, J.; Sohn, K.; Singh, S.P.; Pyo, M.; Shin, N.; Sohn, K.-S. Classification of crystal structure using a convolutional neural network. IUCrJ 2017, 4, 486–494. [Google Scholar] [CrossRef]
- Mughrabi, H. Cyclic Slip Irreversibilities and the Evolution of Fatigue Damage. Met. Mater. Trans. A 2009, 40, 431–453. [Google Scholar] [CrossRef]
- Gupta, V.; Agnew, S.R. Indexation and misorientation analysis of low-quality Laue diffraction patterns. J. Appl. Crystallogr. 2009, 42, 116–124. [Google Scholar] [CrossRef]
- McAuliffe, T.; Dye, D.; Britton, T. Spherical-angular dark field imaging and sensitive microstructural phase clustering with unsupervised machine learning. Ultramicroscopy 2020, 219, 113132. [Google Scholar] [CrossRef] [PubMed]
- Nielsen, F. Introduction to HPC with MPI for Data Science; Springer: Berlin/Heidelberg, Germany, 2016. [Google Scholar] [CrossRef]
- Pedregosa, F.; Varoquaux, G.; Gramfort, A.; Michel, V.; Thirion, B.; Grisel, O.; Blondel, M.; Prettenhofer, P.; Weiss, R.; Dubourg, V.; et al. Scikit-learn: Machine Learning in Python. J. Mach. Learn. Res. 2011, 12, 2825–2830. [Google Scholar]
- Uesugi, F.; Koshiya, S.; Kikkawa, J.; Nagai, T.; Mitsuishi, K.; Kimoto, K. Non-negative matrix factorization for mining big data obtained using four-dimensional scanning transmission electron microscopy. Ultramicroscopy 2021, 221, 113168. [Google Scholar] [CrossRef] [PubMed]
- Rousseeuw, P.J. Silhouettes: A graphical aid to the interpretation and validation of cluster analysis. J. Comput. Appl. Math. 1987, 20, 53–65. [Google Scholar] [CrossRef] [Green Version]
- Caliński, T.; Harabasz, J. A dendrite method for cluster analysis. Commun. Stat. 1974, 3, 1–27. [Google Scholar]
- Davies, D.L.; Bouldin, D.W. A Cluster Separation Measure. IEEE Trans. Pattern Anal. Mach. Intell. 1979, 2, 224–227. [Google Scholar] [CrossRef]
- Vaz, M.F.; Fortes, M. Grain size distribution: The lognormal and the gamma distribution functions. Scr. Met. 1988, 22, 35–40. [Google Scholar] [CrossRef]
- Tang, A.; Liu, H.; Liu, G.; Zhong, Y.; Wang, L.; Lu, Q.; Wang, J.; Shen, Y. Lognormal Distribution of Local Strain: A Universal Law of Plastic Deformation in Material. Phys. Rev. Lett. 2020, 124, 155501. [Google Scholar] [CrossRef] [PubMed]
- Petit, J.; Castelnau, O.; Bornert, M.; Zhang, F.G.; Hofmann, F.; Korsunsky, A.M.; Faurie, D.; Le Bourlot, C.; Micha, J.S.; Robach, O.; et al. Laue-DIC: A new method for improved stress field measurements at the micrometer scale. J. Synchrotron Radiat. 2015, 22, 980–994. [Google Scholar] [CrossRef] [PubMed]
- Zhang, F.G.; Castelnau, O.; Bornert, M.; Petit, J.; Marijon, J.B.; Plancher, E. Determination of deviatoric elastic strain and lattice orientation by applying digital image correlation to Laue microdiffraction images: The enhanced Laue-DIC method. J. Appl. Crystallogr. 2015, 48, 1805–1817. [Google Scholar] [CrossRef]
- Levine, L.E.; Larson, B.C.; Yang, W.; Kassner, M.E.; Tischler, J.Z.; Delos-Reyes, M.A.; Fields, R.J.; Liu, W. X-ray microbeam measurements of individual dislocation cell elastic strains in deformed single-crystal copper. Nat. Mater. 2006, 5, 619–622. [Google Scholar] [CrossRef] [PubMed]
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Rong, P.; Zhang, F.; Yang, Q.; Chen, H.; Shi, Q.; Zhong, S.; Chen, Z.; Wang, H. Processing Laue Microdiffraction Raster Scanning Patterns with Machine Learning Algorithms: A Case Study with a Fatigued Polycrystalline Sample. Materials 2022, 15, 1502. https://doi.org/10.3390/ma15041502
Rong P, Zhang F, Yang Q, Chen H, Shi Q, Zhong S, Chen Z, Wang H. Processing Laue Microdiffraction Raster Scanning Patterns with Machine Learning Algorithms: A Case Study with a Fatigued Polycrystalline Sample. Materials. 2022; 15(4):1502. https://doi.org/10.3390/ma15041502
Chicago/Turabian StyleRong, Peng, Fengguo Zhang, Qing Yang, Han Chen, Qiwei Shi, Shengyi Zhong, Zhe Chen, and Haowei Wang. 2022. "Processing Laue Microdiffraction Raster Scanning Patterns with Machine Learning Algorithms: A Case Study with a Fatigued Polycrystalline Sample" Materials 15, no. 4: 1502. https://doi.org/10.3390/ma15041502