Development of Vickers hardness prediction models via microstructural analysis and machine learning
Source abstract
Abstract
Superalloys are high-temperature materials with outstanding strength and resistance to corrosion. A prior knowledge about its hardness is essential for development of new superalloys for its applications in aeronautics and power industries. Determining the hardness of a material with experiments is usually a destructive process. In this study, using structural, compositional and processing condition parameters as descriptors, machine learning (ML) models are developed to predict Vickers hardness. We employed image processing tools, which extract structural descriptors such as volume fraction, area, perimeter and aspect ratio of the phases in the microstructures. Using the structural features in combination with elemental and processing information as features, a Gaussian process regression model for the prediction of Vickers hardness of superalloys is developed. The model gives an unprecedented accuracy with a minimum root mean square error of 0.15. The descriptors provide insights into structure–property relationships, which are important for designing superalloys with improved Vickers hardness. The proposed method for extracting features from microstructures and combining them with elemental and processing information can be extended to develop ML model for prediction of other mechanical properties of superalloys.
Source: openaire · Quality: candidate unverified · Source record ↗
Research context
OpenAlex topics: Machine Learning in Materials Science · Hydrogen embrittlement and corrosion behaviors in metals · X-ray Diffraction in Crystallography
SciVX discovery tags are terminology-based. OpenAlex topics are source-provided classifications.
References (69)
Show source-provided references
1. Reed RC (2008) The superalloys: fundamentals and applications. Cambridge University Press, Cambridge
2. Sims CT, Stoloff NS, Hagel WC (1987) Superalloys II. Wiley, New York
3. Caron P, Khan T (1999) Evolution of Ni-based superalloys for single crystal gas turbine blade applications. Aerosp Sci Technol 3(8):513–52310.1016/S1270-9638(99)00108-X ↗
4. Sato J, Omori T, Oikawa K, Ohnuma I, Kainuma R, Ishida K (2006) Cobalt-base high-temperature alloys. Science 312(5770):90–9110.1126/science.1121738 ↗
5. Zhao S, Xie X, Smith GD, Patel SJ (2003) Microstructural stability and mechanical properties of a new nickel-based superalloy. Mater Sci Eng A 355(1–2):96–10510.1016/S0921-5093(03)00051-0 ↗
6. Leitner A, Maier-Kiener V, Kiener D (2017) Extraction of flow behavior and Hall–Petch parameters using a nanoindentation multiple sharp tip approach. Adv Eng Mater 19(4):160066910.1002/adem.201600669 ↗
7. Jiang X, Yin HQ, Zhang C, Zhang RJ, Zhang KQ, Deng ZH, Liu Gq QuXh (2018) An materials informatics approach to Ni-based single crystal superalloys lattice misfit prediction. Comput Mater Sci 143:295–30010.1016/j.commatsci.2017.09.061 ↗
8. Lookman T, Alexander FJ, Rajan K (2016) Information science for materials discovery and design. Springer, Berlin10.1007/978-3-319-23871-5 ↗
9. Zhang Y, Ling C (2018) A strategy to apply machine learning to small datasets in materials science. NPJ Comput Mater 4(1):2510.1038/s41524-018-0081-z ↗
10. Kalidindi SR, De Graef M (2015) Materials data science: current status and future outlook. Annu Rev Mater Res 45:171–19310.1146/annurev-matsci-070214-020844 ↗
11. Ramprasad R, Batra R, Pilania G, Mannodi-Kanakkithodi A, Kim C (2017) Machine learning in materials informatics: recent applications and prospects. NPJ Comput Mater 3(1):5410.1038/s41524-017-0056-5 ↗
12. Seko A, Hayashi H, Nakayama K, Takahashi A, Tanaka I (2017) Representation of compounds for machine-learning prediction of physical properties. Phys Rev B 95(14):14411010.1103/PhysRevB.95.144110 ↗
13. Schütt K, Glawe H, Brockherde F, Sanna A, Müller K, Gross E (2014) How to represent crystal structures for machine learning: towards fast prediction of electronic properties. Phys Rev B 89(20):20511810.1103/PhysRevB.89.205118 ↗
14. Rajan AC, Mishra A, Satsangi S, Vaish R, Mizuseki H, Lee KR, Singh AK (2018) Machine-learning-assisted accurate band gap predictions of functionalized mxene. Chem Mater 30(12):4031–403810.1021/acs.chemmater.8b00686 ↗
15. Mishra A, Satsangi S, Rajan AC, Mizuseki H, Lee KR, Singh AK (2019) Accelerated data-driven accurate positioning of the band edges of mxenes. J Phys Chem Lett 10(4):780–78510.1021/acs.jpclett.9b00009 ↗
16. Juneja R, Yumnam G, Satsangi S, Singh AK (2019) Coupling high-throughput property map to machine learning for predicting lattice thermal conductivity. Chem Mater 31(14):5145–515110.1021/acs.chemmater.9b01046 ↗
17. Hansen K, Biegler F, Ramakrishnan R, Pronobis W, Lilienfeld A, Muller KR, Tkatchenko A (2015) Machine learning predictions of molecular properties: accurate many-body potentials and nonlocality in chemical space. J Phys Chem Lett 6(12):2326–233110.1021/acs.jpclett.5b00831 ↗
18. Li Z, Kermode JR, De Vita A (2015) Molecular dynamics with on-the-fly machine learning of quantum-mechanical forces. Phys Rev Lett 114(9):09640510.1103/PhysRevLett.114.096405 ↗
19. Ma X, Li Z, Achenie LE, Xin H (2015) Machine-learning-augmented chemisorption model for CO2 electroreduction catalyst screening. J Phys Chem Lett 6(18):3528–353310.1021/acs.jpclett.5b01660 ↗
20. Xue D, Balachandran PV, Hogden J, Theiler J, Xue D, Lookman T (2016) Accelerated search for materials with targeted properties by adaptive design. Nat Commun 7:1124110.1038/ncomms11241 ↗
21. Raccuglia P, Elbert KC, Adler PD, Falk C, Wenny MB, Mollo A, Zeller M, Friedler SA, Schrier J, Norquist AJ (2016) Machine-learning-assisted materials discovery using failed experiments. Nature 533(7601):7310.1038/nature17439 ↗
22. Islam N, Huang W, Zhuang HL (2018) Machine learning for phase selection in multi-principal element alloys. Comput Mater Sci 150:230–23510.1016/j.commatsci.2018.04.003 ↗
23. Kelleher JD, Mac Namee B, D’arcy A (2015) Fundamentals of machine learning for predictive data analytics: algorithms, worked examples, and case studies. MIT Press, Cambridge
24. Arisoy YM, Özel T (2015) Machine learning based predictive modeling of machining induced microhardness and grain size in Ti–6Al–4V alloy. Mater Manuf Process 30(4):425–43310.1080/10426914.2014.961476 ↗
25. Donachie MJ, Donachie SJ (2002) Superalloys: a technical guide. ASM International, Cleveland10.31399/asm.tb.stg2.9781627082679 ↗
26. Acharya T, Ray AK (2005) Image processing: principles and applications. Wiley, New York10.1002/0471745790 ↗
27. Nathal M, Ebert L (1985) The influence of cobalt, tantalum, and tungsten on the microstructure of single crystal nickel-base superalloys. Metall Trans A 16(10):1849–186210.1007/BF02670372 ↗
28. Prokoshkin S, Khmelevskaya IY, Dobatkin S, Trubitsyna I, Tatyanin E, Stolyarov V, Prokofiev E (2005) Alloy composition, deformation temperature, pressure and post-deformation annealing effects in severely deformed Ti-Ni based shape memory alloys. Acta Mater 53(9):2703–271410.1016/j.actamat.2005.02.032 ↗
29. Jensen JR, Lulla K (1987) Introductory digital image processing: a remote sensing perspective. Prentice Hall, Upper Saddle River
30. Müller H, Michoux N, Bandon D, Geissbuhler A (2004) A review of content-based image retrieval systems in medical applicationsclinical benefits and future directions. Int J Med Inform 73(1):1–2310.1016/j.ijmedinf.2003.11.024 ↗
31. Wejrzanowski T, Spychalski W, Roniatowski K, Kurzydlowski K (2008) Image based analysis of complex microstructures of engineering materials. Int J Appl Math Comput Sci 18(1):33–3910.2478/v10006-008-0003-1 ↗
32. Russ JC (2016) The image processing handbook. CRC Press, Boca Raton10.1201/b10720 ↗
33. Yue ZQ, Bekking W, Morin I (1995) Application of digital image processing to quantitative study of asphalt concrete microstructure. Transp Res Rec 1492:53–60
34. Niezgoda SR, Yabansu YC, Kalidindi SR (2011) Understanding and visualizing microstructure and microstructure variance as a stochastic process. Acta Mater 59(16):6387–640010.1016/j.actamat.2011.06.051 ↗
35. Steinmetz P, Yabansu YC, Hötzer J, Jainta M, Nestler B, Kalidindi SR (2016) Analytics for microstructure datasets produced by phase-field simulations. Acta Mater 103:192–20310.1016/j.actamat.2015.09.047 ↗
36. Bradski G, Kaehler A (2008) Learning OpenCV: computer vision with the OpenCV library. O’Reilly Media, Inc., Newton
37. Buades A, Coll B, Morel JM (2005) A non-local algorithm for image denoising. In: 2005 IEEE computer society conference on computer vision and pattern recognition (CVPR’05), vol 2. IEEE, pp 60–6510.1109/CVPR.2005.38 ↗
38. Sezgin M, Sankur B (2004) Survey over image thresholding techniques and quantitative performance evaluation. J Electron Imaging 13(1):146–16610.1117/1.1631315 ↗
39. Sauvola J, Pietikäinen M (2000) Adaptive document image binarization. Pattern Recognit 33(2):225–23610.1016/S0031-3203(99)00055-2 ↗
40. Canny J (1987) A computational approach to edge detection. In: Fischler MA, Firschein O (eds) Readings in computer vision. Elsevier, Amsterdam, pp 184–203
41. Cheng K, Cheng X, Hao Q (2018) A review of feature extraction technologies for plankton images. In: Proceedings of the 2018 international conference on information hiding and image processing. ACM, pp 48–5610.1145/3292425.3293462 ↗
42. Quiñonero-Candela J, Rasmussen CE (2005) A unifying view of sparse approximate Gaussian process regression. J Mach Learn Res 6:1939–1959
43. Rasmussen CE (2003) Gaussian processes in machine learning. In: Bousquet O, von Luxburg U, Rätsch G (eds) Summer school on machine learning. Springer, Berlin, pp 63–71
44. Friedman J, Hastie T, Tibshirani R (2008) Sparse inverse covariance estimation with the graphical lasso. Biostatistics 9(3):432–44110.1093/biostatistics/kxm045 ↗
45. Pedregosa F, Varoquaux G, Gramfort A, Michel V, Thirion B, Grisel O, Blondel M, Prettenhofer P, Weiss R, Dubourg V et al (2011) Scikit-learn: machine learning in python. J Mach Learn Res 12:2825–2830
46. Zhang Y, Fu H, Zhou X, Zhang Y, Xie J (2018) Effects of aluminum and molybdenum content on the microstructure and properties of multi-component $$\gamma$$-strengthened cobalt-base superalloys. Mater Sci Eng A 737:265–27310.1016/j.msea.2018.09.058 ↗
47. Haralick RM, Shanmugam K et al (1973) Textural features for image classification. IEEE Trans Syst Man Cybern 6:610–62110.1109/TSMC.1973.4309314 ↗
48. Mohanaiah P, Sathyanarayana P, GuruKumar L (2013) Image texture feature extraction using glcm approach. Int J Sci Res 3(5):1
49. Vincent OR, Folorunso O et al (2009) A descriptive algorithm for Sobel image edge detection. In: Proceedings of informing science and IT education conference (InSITE), vol 40, Informing Science Institute California, pp 97–10710.28945/3351 ↗
50. Xu H, Liu R, Choudhary A, Chen W (2015) A machine learning-based design representation method for designing heterogeneous microstructures. J Mech Des 137(5):05140310.1115/1.4029768 ↗
51. DeCost BL, Holm EA (2015) A computer vision approach for automated analysis and classification of microstructural image data. Comput Mater Sci 110:126–13310.1016/j.commatsci.2015.08.011 ↗
52. Chowdhury A, Kautz E, Yener B, Lewis D (2016) Image driven machine learning methods for microstructure recognition. Comput Mater Sci 123:176–18710.1016/j.commatsci.2016.05.034 ↗
53. Campbell A, Murray P, Yakushina E, Marshall S, Ion W (2018) New methods for automatic quantification of microstructural features using digital image processing. Mater Des 141:395–40610.1016/j.matdes.2017.12.049 ↗
54. Cui C, Ping D, Gu Y, Harada H (2006) A new co-base superalloy strengthened by $$\gamma$$ phase. Mater Trans 47(8):2099–210210.2320/matertrans.47.2099 ↗
55. Xu H, Li Y, Brinson C, Chen W (2014) A descriptor-based design methodology for developing heterogeneous microstructural materials system. J Mech Des 136(5):05100710.1115/1.4026649 ↗
56. Denton AR, Ashcroft NW (1991) Vegards law. Phys Rev A 43(6):316110.1103/PhysRevA.43.3161 ↗
57. Weast RC, Astle MJ, Beyer WH et al (1988) CRC handbook of chemistry and physics, vol 69. CRC Press, Boca Raton
58. Tian Y, Gontcharov A, Gauvin R, Lowden P, Brochu M (2016) Effect of heat treatments on microstructure evolution and mechanical properties of blended nickel-based superalloys powders fabricated by laser powder deposition. Mater Sci Eng A 674:646–65710.1016/j.msea.2016.07.116 ↗
59. Baler N, Pandey P, Palanisamy D, Makineni SK, Phanikumar G, Chattopadhyay K (2020) On the effect of W addition on microstructural evolution and $$\gamma$$ precipitate coarsening in a Co–30Ni–10Al–5Mo–2Ta–2Ti alloy. Materialia 10063210.1016/j.mtla.2020.100632 ↗
60. Sudbrack CK, Ziebell TD, Noebe RD, Seidman DN (2008) Effects of a tungsten addition on the morphological evolution, spatial correlations and temporal evolution of a model Ni-Al-Cr superalloy. Acta Mater 56(3):448–46310.1016/j.actamat.2007.09.042 ↗
61. Mignanelli P, Jones N, Hardy M, Stone H (2014) The influence of Al:Nb ratio on the microstructure and mechanical response of quaternary Ni–Cr–Al–Nb alloys. Mater Sci Eng A 612:179–18610.1016/j.msea.2014.06.021 ↗
62. Liu R, Yao MX, Wu X (2004) Influence of carbon content in cobalt-based superalloys on mechanical and wear properties. J Eng Mater Technol 126(2):204–21210.1115/1.1651096 ↗
63. Povstugar I, Choi PP, Neumeier S, Bauer A, Zenk CH, Göken M, Raabe D (2014) Elemental partitioning and mechanical properties of Ti-and Ta-containing Co–Al–W-base superalloys studied by atom probe tomography and nanoindentation. Acta Mater 78:78–8510.1016/j.actamat.2014.06.020 ↗
64. Wangyao P, Jariyasakuntham P, Polsilapa S, Promboobpa A, Pongsugitwat S (2014) Effects of al additions and reheat treatments on microstructures of modified nickel-based superalloy, grade inconel 738, by vacuum arc melting process. In: Advanced Materials Research, vol 1025.Trans Tech Publ, pp 395–40210.4028/www.scientific.net/AMR.1025-1026.395 ↗
65. Milman YV, Luyckx S, Northrop I (1999) Influence of temperature, grain size and cobalt content on the hardness of WC–Co alloys. Int J Refract Met Hard Mater 17(1–3):39–4410.1016/S0263-4368(98)00038-9 ↗
66. Kim H, Chun S, Yao X, Fang Y, Choi J (1997) Gamma prime ($$\gamma$$) precipitating and ageing behaviours in two newly developed nickel-base superalloys. J Mater Sci 32(18):4917–492310.1023/A:1018672107071 ↗
67. Kawahara K, Kaneno Y, Kakitsuji A, Takasugi T (2009) Microstructural factors affecting hardness property of dual two-phase intermetallic alloys based on Ni3Al–Ni3V pseudo-binary alloy system. Intermetallics 17(11):938–94410.1016/j.intermet.2009.04.004 ↗
68. Mangen W, Nembach E (1989) The effect of grain size on the yield strength of the $$\gamma$$-hardened superalloy nimonic pe16. Acta Metall 37(5):1451–146310.1016/0001-6160(89)90177-6 ↗
69. Yan HY, Vorontsov V, Dye D (2014) Alloying effects in polycrystalline $$\gamma$$ strengthened Co–Al–W base alloys. Intermetallics 48:44–5310.1016/j.intermet.2013.10.022 ↗