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Erschienen in: Integrating Materials and Manufacturing Innovation 1/2017

15.03.2017 | Research

Materials Knowledge Systems in Python—a Data Science Framework for Accelerated Development of Hierarchical Materials

verfasst von: David B Brough, Daniel Wheeler, Surya R. Kalidindi

Erschienen in: Integrating Materials and Manufacturing Innovation | Ausgabe 1/2017

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Abstract

There is a critical need for customized analytics that take into account the stochastic nature of the internal structure of materials at multiple length scales in order to extract relevant and transferable knowledge. Data-driven process-structure-property (PSP) linkages provide a systemic, modular, and hierarchical framework for community-driven curation of materials knowledge, and its transference to design and manufacturing experts. The Materials Knowledge Systems in Python project (PyMKS) is the first open-source materials data science framework that can be used to create high-value PSP linkages for hierarchical materials that can be leveraged by experts in materials science and engineering, manufacturing, machine learning, and data science communities. This paper describes the main functions available from this repository, along with illustrations of how these can be accessed, utilized, and potentially further refined by the broader community of researchers.

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Literatur
1.
Zurück zum Zitat Sawhney M, Verona G, Prandelli E (2005) Collaborating to create: the internet as a platform for customer engagement in product innovation. J Interact Mark 19(4):4–17CrossRef Sawhney M, Verona G, Prandelli E (2005) Collaborating to create: the internet as a platform for customer engagement in product innovation. J Interact Mark 19(4):4–17CrossRef
2.
Zurück zum Zitat Edwards AM, Bountra C, Kerr DJ, Willson TM (2009) Open access chemical and clinical probes to support drug discovery. Nat Chem Biol 5(7):436–440CrossRef Edwards AM, Bountra C, Kerr DJ, Willson TM (2009) Open access chemical and clinical probes to support drug discovery. Nat Chem Biol 5(7):436–440CrossRef
3.
Zurück zum Zitat Bayne-Smith M, Mizrahi T, Garcia M (2008) Interdisciplinary community collaboration: perspectives of community practitioners on successful strategies. Journal of Community Practice 16(3):249–269CrossRef Bayne-Smith M, Mizrahi T, Garcia M (2008) Interdisciplinary community collaboration: perspectives of community practitioners on successful strategies. Journal of Community Practice 16(3):249–269CrossRef
4.
Zurück zum Zitat Boudreau K (2010) Open platform strategies and innovation: granting access vs. devolving control. Manag Sci 56(10):1849–1872CrossRef Boudreau K (2010) Open platform strategies and innovation: granting access vs. devolving control. Manag Sci 56(10):1849–1872CrossRef
5.
Zurück zum Zitat Aad G, Abajyan T, Abbott B, Abdallah J, Khalek SA, Abdelalim A, Abdinov O, Aben R, Abi B, Abolins M et al (2012) Observation of a new particle in the search for the Standard Model Higgs boson with the ATLAS detector at the LHC. Phys Lett B 716(1):1–29CrossRef Aad G, Abajyan T, Abbott B, Abdallah J, Khalek SA, Abdelalim A, Abdinov O, Aben R, Abi B, Abolins M et al (2012) Observation of a new particle in the search for the Standard Model Higgs boson with the ATLAS detector at the LHC. Phys Lett B 716(1):1–29CrossRef
6.
Zurück zum Zitat Lander ES, Linton LM, Birren B, Nusbaum C, Zody MC, Baldwin J, Devon K, Dewar K, Doyle M, FitzHugh W et al (2001) Initial sequencing and analysis of the human genome. Nature 409 (6822):860–921CrossRef Lander ES, Linton LM, Birren B, Nusbaum C, Zody MC, Baldwin J, Devon K, Dewar K, Doyle M, FitzHugh W et al (2001) Initial sequencing and analysis of the human genome. Nature 409 (6822):860–921CrossRef
7.
Zurück zum Zitat Cranshaw J, Kittur A (2011) The polymath project: lessons from a successful online collaboration in mathematics. In: Proceedings of the SIGCHI Conference on Human Factors in Computing Systems. ACM, pp 1865–1874 Cranshaw J, Kittur A (2011) The polymath project: lessons from a successful online collaboration in mathematics. In: Proceedings of the SIGCHI Conference on Human Factors in Computing Systems. ACM, pp 1865–1874
8.
Zurück zum Zitat Dickinson JL, Zuckerberg B, Bonter DN (2010) Citizen science as an ecological research tool: challenges and benefits. Annu Rev Ecol Evol Syst 41:149–72CrossRef Dickinson JL, Zuckerberg B, Bonter DN (2010) Citizen science as an ecological research tool: challenges and benefits. Annu Rev Ecol Evol Syst 41:149–72CrossRef
9.
Zurück zum Zitat Hochachka WM, Fink D, Hutchinson RA, Sheldon D, Wong W-K, Kelling S (2012) Data-intensive science applied to broad-scale citizen science. Trends Ecol Evol 27(2):130–137CrossRef Hochachka WM, Fink D, Hutchinson RA, Sheldon D, Wong W-K, Kelling S (2012) Data-intensive science applied to broad-scale citizen science. Trends Ecol Evol 27(2):130–137CrossRef
10.
Zurück zum Zitat Atkins D (2003) Revolutionizing science and engineering through cyberinfrastructure: report of the National Science Foundation Blue-Ribbon Advisory Panel on Cyberinfrastructure Atkins D (2003) Revolutionizing science and engineering through cyberinfrastructure: report of the National Science Foundation Blue-Ribbon Advisory Panel on Cyberinfrastructure
14.
Zurück zum Zitat McDowell DL, Kalidindi SR (2016) The materials innovation ecosystem: a key enabler for the materials genome initiative. MRS Bulletin 41(04):326–337CrossRef McDowell DL, Kalidindi SR (2016) The materials innovation ecosystem: a key enabler for the materials genome initiative. MRS Bulletin 41(04):326–337CrossRef
15.
Zurück zum Zitat Kalidindi SR (2015) Data science and cyberinfrastructure: critical enablers for accelerated development of hierarchical materials. Int Mater Rev 60(3):150–168CrossRef Kalidindi SR (2015) Data science and cyberinfrastructure: critical enablers for accelerated development of hierarchical materials. Int Mater Rev 60(3):150–168CrossRef
16.
Zurück zum Zitat Ward C (2012) Materials genome initiative for global competitiveness. In: 23rd Advanced Aerospace Materials and Processes (AeroMat) Conference and Exposition. ASM Ward C (2012) Materials genome initiative for global competitiveness. In: 23rd Advanced Aerospace Materials and Processes (AeroMat) Conference and Exposition. ASM
17.
Zurück zum Zitat Allison J, Backman D, Christodoulou L (2006) Integrated computational materials engineering: a new paradigm for the global materials profession. JOM 58(11):25–27CrossRef Allison J, Backman D, Christodoulou L (2006) Integrated computational materials engineering: a new paradigm for the global materials profession. JOM 58(11):25–27CrossRef
18.
Zurück zum Zitat Allison J (2011) Integrated computational materials engineering: a perspective on progress and future steps. JOM 63(4):15– 18CrossRef Allison J (2011) Integrated computational materials engineering: a perspective on progress and future steps. JOM 63(4):15– 18CrossRef
19.
Zurück zum Zitat Olson GB (2000) Designing a new material world. Science 288(5468):993–998CrossRef Olson GB (2000) Designing a new material world. Science 288(5468):993–998CrossRef
20.
Zurück zum Zitat Allison J (2008) Integrated computational materials engineering: a transformational discipline for improved competitiveness and national security. National Academies Press, New York, NY Allison J (2008) Integrated computational materials engineering: a transformational discipline for improved competitiveness and national security. National Academies Press, New York, NY
21.
Zurück zum Zitat Schmitz GJ, Prahl U (2012) Integrative computational materials engineering: concepts and applications of a modular simulation platform. John Wiley & Sons, Hoboken, NJCrossRef Schmitz GJ, Prahl U (2012) Integrative computational materials engineering: concepts and applications of a modular simulation platform. John Wiley & Sons, Hoboken, NJCrossRef
22.
Zurück zum Zitat Robinson L (2013) TMS study charts a course to successful ICME implementation. Springer Robinson L (2013) TMS study charts a course to successful ICME implementation. Springer
23.
Zurück zum Zitat Allison JE Integrated computational materials engineering (ICME): a transformational discipline for the global materials profession. Met Mater 223 Allison JE Integrated computational materials engineering (ICME): a transformational discipline for the global materials profession. Met Mater 223
24.
26.
Zurück zum Zitat Kalidindi SR (2015) Hierarchical materials informatics: novel analytics for materials data. Elsevier, New York, NY Kalidindi SR (2015) Hierarchical materials informatics: novel analytics for materials data. Elsevier, New York, NY
27.
Zurück zum Zitat Bhat TN, Bartolo LM, Kattner UR, Campbell CE, Elliott JT (2015) Strategy for extensible, evolving terminology for the materials genome initiative efforts. JOM 67(8):1866–1875CrossRef Bhat TN, Bartolo LM, Kattner UR, Campbell CE, Elliott JT (2015) Strategy for extensible, evolving terminology for the materials genome initiative efforts. JOM 67(8):1866–1875CrossRef
31.
Zurück zum Zitat Saal JE, Kirklin S, Aykol M, Meredig B, Wolverton C (2013) Materials design and discovery with high-throughput density functional theory: the Open Quantum Materials Database (OQMD). JOM 65(11):1501–1509CrossRef Saal JE, Kirklin S, Aykol M, Meredig B, Wolverton C (2013) Materials design and discovery with high-throughput density functional theory: the Open Quantum Materials Database (OQMD). JOM 65(11):1501–1509CrossRef
33.
Zurück zum Zitat Curtarolo S, Setyawan W, Hart GL, Jahnatek M, Chepulskii RV, Taylor RH, Wang S, Xue J, Yang K, Levy O et al (2012) Aflow: an automatic framework for high-throughput materials discovery. Comput Mater Sci 58:218–226CrossRef Curtarolo S, Setyawan W, Hart GL, Jahnatek M, Chepulskii RV, Taylor RH, Wang S, Xue J, Yang K, Levy O et al (2012) Aflow: an automatic framework for high-throughput materials discovery. Comput Mater Sci 58:218–226CrossRef
34.
Zurück zum Zitat Ong SP, Richards WD, Jain A, Hautier G, Kocher M, Cholia S, Gunter D, Chevrier VL, Persson KA, Ceder G (2013) Python Materials Genomics (pymatgen): a robust, open-source Python library for materials analysis. Comput Mater Sci 68:314– 319CrossRef Ong SP, Richards WD, Jain A, Hautier G, Kocher M, Cholia S, Gunter D, Chevrier VL, Persson KA, Ceder G (2013) Python Materials Genomics (pymatgen): a robust, open-source Python library for materials analysis. Comput Mater Sci 68:314– 319CrossRef
35.
Zurück zum Zitat Jain A, Ong SP, Hautier G, Chen W, Richards WD, Dacek S, Cholia S, Gunter D, Skinner D, Ceder G, et al. (2013) Commentary: the materials project: a materials genome approach to accelerating materials innovation. APL Materials 1(1):011002CrossRef Jain A, Ong SP, Hautier G, Chen W, Richards WD, Dacek S, Cholia S, Gunter D, Skinner D, Ceder G, et al. (2013) Commentary: the materials project: a materials genome approach to accelerating materials innovation. APL Materials 1(1):011002CrossRef
38.
Zurück zum Zitat Selector CP (2013) Granta material intelligence, Cambridge, UK Selector CP (2013) Granta material intelligence, Cambridge, UK
39.
Zurück zum Zitat Hill J, Mulholland G, Persson K, Seshadri R, Wolverton C, Meredig B (2016) Materials science with large-scale data and informatics: unlocking new opportunities. MRS Bulletin 41(05):399–409CrossRef Hill J, Mulholland G, Persson K, Seshadri R, Wolverton C, Meredig B (2016) Materials science with large-scale data and informatics: unlocking new opportunities. MRS Bulletin 41(05):399–409CrossRef
40.
Zurück zum Zitat Seshadri R, Sparks TD (2016) Perspective: interactive material property databases through aggregation of literature data. APL Materials 4(5):053206CrossRef Seshadri R, Sparks TD (2016) Perspective: interactive material property databases through aggregation of literature data. APL Materials 4(5):053206CrossRef
41.
Zurück zum Zitat Michel K, Meredig B (2016) Beyond bulk single crystals: a data format for all materials structure-property-processing relationships. MRS Bulletin 41(8):617–623CrossRef Michel K, Meredig B (2016) Beyond bulk single crystals: a data format for all materials structure-property-processing relationships. MRS Bulletin 41(8):617–623CrossRef
42.
Zurück zum Zitat Plimpton S, Thompson A, Slepoy A (2012) SPPARKS kinetic Monte Carlo simulator Plimpton S, Thompson A, Slepoy A (2012) SPPARKS kinetic Monte Carlo simulator
43.
Zurück zum Zitat Gaston D, Newman C, Hansen G, Lebrun-Grandie D (2009) Moose: a parallel computational framework for coupled systems of nonlinear equations. Nucl Eng Des 239(10):1768–1778CrossRef Gaston D, Newman C, Hansen G, Lebrun-Grandie D (2009) Moose: a parallel computational framework for coupled systems of nonlinear equations. Nucl Eng Des 239(10):1768–1778CrossRef
44.
Zurück zum Zitat Groeber MA, Jackson MA (2014) Dream. 3D: a digital representation environment for the analysis of microstructure in 3D. Integrating Materials and Manufacturing Innovation 3(1): 1–17CrossRef Groeber MA, Jackson MA (2014) Dream. 3D: a digital representation environment for the analysis of microstructure in 3D. Integrating Materials and Manufacturing Innovation 3(1): 1–17CrossRef
45.
Zurück zum Zitat Institute S (1985) SAS User’s guide: Statistics, vol 2. Sas Inst, California Institute S (1985) SAS User’s guide: Statistics, vol 2. Sas Inst, California
46.
Zurück zum Zitat Seabold S, Perktold J (2010) Statsmodels: econometric and statistical modeling with Python. In: Proceedings of the 9th python in science conference, pp 57–61 Seabold S, Perktold J (2010) Statsmodels: econometric and statistical modeling with Python. In: Proceedings of the 9th python in science conference, pp 57–61
47.
Zurück zum Zitat 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. The J Mach Learn Res 12:2825–2830 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. The J Mach Learn Res 12:2825–2830
48.
Zurück zum Zitat Albanese D, Visintainer R, Merler S, Riccadonna S, Jurman G, Furlanello C (2012) mlpy: Machine Learning Python. arXiv:1202.6548 Albanese D, Visintainer R, Merler S, Riccadonna S, Jurman G, Furlanello C (2012) mlpy: Machine Learning Python. arXiv:1202.​6548
49.
Zurück zum Zitat Goodfellow IJ, Warde-Farley D, Lamblin P, Dumoulin V, Mirza M, Pascanu R, Bergstra J, Bastien F, Bengio Y (2013) Pylearn2: a machine learning research library. arXiv:1308.4214 Goodfellow IJ, Warde-Farley D, Lamblin P, Dumoulin V, Mirza M, Pascanu R, Bergstra J, Bastien F, Bengio Y (2013) Pylearn2: a machine learning research library. arXiv:1308.​4214
50.
Zurück zum Zitat McKinney W (2012) Python for Data Analysis: Data Wrangling with Pandas, NumPy, and IPython. O’Reilly Media, Inc., California McKinney W (2012) Python for Data Analysis: Data Wrangling with Pandas, NumPy, and IPython. O’Reilly Media, Inc., California
51.
Zurück zum Zitat Müller AC, Behnke S (2014) Pystruct: learning structured prediction in Python. The J Mach Learn Res 15(1):2055–2060 Müller AC, Behnke S (2014) Pystruct: learning structured prediction in Python. The J Mach Learn Res 15(1):2055–2060
52.
Zurück zum Zitat Demšar J, Zupan B, Leban G, Curk T (2004) Orange: from experimental machine learning to interactive data mining. Springer, Berlin Heidelberg Demšar J, Zupan B, Leban G, Curk T (2004) Orange: from experimental machine learning to interactive data mining. Springer, Berlin Heidelberg
53.
Zurück zum Zitat Abadi M, Agarwal A, Barham P, Brevdo E, Chen Z, Citro C, Corrado GS, Davis A, Dean J, Devin M et al (2016) Tensorflow: large-scale machine learning on heterogeneous distributed systems. arXiv:1603.04467 Abadi M, Agarwal A, Barham P, Brevdo E, Chen Z, Citro C, Corrado GS, Davis A, Dean J, Devin M et al (2016) Tensorflow: large-scale machine learning on heterogeneous distributed systems. arXiv:1603.​04467
54.
Zurück zum Zitat Van Der Walt S, Schönberger JL, Nunez-Iglesias J, Boulogne F, Warner JD, Yager N, Gouillart E, Yu T (2014) scikit-image: image processing in Python. PeerJ 2:453 Van Der Walt S, Schönberger JL, Nunez-Iglesias J, Boulogne F, Warner JD, Yager N, Gouillart E, Yu T (2014) scikit-image: image processing in Python. PeerJ 2:453
55.
Zurück zum Zitat Hill R (1963) Elastic properties of reinforced solids: some theoretical principles. J Mech Phys Solids 11 (5):357–372CrossRef Hill R (1963) Elastic properties of reinforced solids: some theoretical principles. J Mech Phys Solids 11 (5):357–372CrossRef
56.
Zurück zum Zitat Hashin Z (1983) Analysis of composite materials—a survey. J Appl Mech 50(3):481–505CrossRef Hashin Z (1983) Analysis of composite materials—a survey. J Appl Mech 50(3):481–505CrossRef
57.
Zurück zum Zitat Brown WF Jr (1955) Solid mixture permittivities. The J Chem Phys 23(8):1514–1517CrossRef Brown WF Jr (1955) Solid mixture permittivities. The J Chem Phys 23(8):1514–1517CrossRef
58.
Zurück zum Zitat Kröner E (1986) Statistical modelling. In: Modelling small deformations of polycrystals. Springer, Netherlands, pp 229–291CrossRef Kröner E (1986) Statistical modelling. In: Modelling small deformations of polycrystals. Springer, Netherlands, pp 229–291CrossRef
59.
Zurück zum Zitat Kröner E (1977) Bounds for effective elastic moduli of disordered materials. J Mech Phys Solids 25(2):137–155CrossRef Kröner E (1977) Bounds for effective elastic moduli of disordered materials. J Mech Phys Solids 25(2):137–155CrossRef
60.
Zurück zum Zitat Kröner E (1972) Statistical continuum mechanics. Springer, Vienna Kröner E (1972) Statistical continuum mechanics. Springer, Vienna
61.
Zurück zum Zitat Etingof P, Adams BL (1993) Representations of polycrystalline microstructure by n-point correlation tensors. Texture, Stress, and Microstructure 21(1):17–37CrossRef Etingof P, Adams BL (1993) Representations of polycrystalline microstructure by n-point correlation tensors. Texture, Stress, and Microstructure 21(1):17–37CrossRef
62.
Zurück zum Zitat Adams BL, Olson T (1998) The mesostructure-properties linkage in polycrystals. Prog Mater Sci 43 (1):1–87CrossRef Adams BL, Olson T (1998) The mesostructure-properties linkage in polycrystals. Prog Mater Sci 43 (1):1–87CrossRef
63.
Zurück zum Zitat Fullwood DT, Adams BL, Kalidindi SR (2008) A strong contrast homogenization formulation for multi-phase anisotropic materials. J Mech Phys Solids 56(6):2287–2297CrossRef Fullwood DT, Adams BL, Kalidindi SR (2008) A strong contrast homogenization formulation for multi-phase anisotropic materials. J Mech Phys Solids 56(6):2287–2297CrossRef
64.
Zurück zum Zitat Torquato S (2013) Random heterogeneous materials: microstructure and macroscopic properties, vol 16. Springer, New York Torquato S (2013) Random heterogeneous materials: microstructure and macroscopic properties, vol 16. Springer, New York
65.
Zurück zum Zitat Li D, Saheli G, Khaleel M, Garmestani H (2006) Quantitative prediction of effective conductivity in anisotropic heterogeneous media using two-point correlation functions. Comput Mater Sci 38(1):45–50CrossRef Li D, Saheli G, Khaleel M, Garmestani H (2006) Quantitative prediction of effective conductivity in anisotropic heterogeneous media using two-point correlation functions. Comput Mater Sci 38(1):45–50CrossRef
66.
Zurück zum Zitat Milhans J, Li D, Khaleel M, Sun X, Garmestani H (2011) Prediction of the effective coefficient of thermal expansion of heterogeneous media using two-point correlation functions. J Power Sources 196(8):3846–3850CrossRef Milhans J, Li D, Khaleel M, Sun X, Garmestani H (2011) Prediction of the effective coefficient of thermal expansion of heterogeneous media using two-point correlation functions. J Power Sources 196(8):3846–3850CrossRef
67.
Zurück zum Zitat Adams BL, Kalidindi S, Fullwood DT (2013) Microstructure-sensitive design for performance optimization. Butterworth-Heinemann, United Kingdom Adams BL, Kalidindi S, Fullwood DT (2013) Microstructure-sensitive design for performance optimization. Butterworth-Heinemann, United Kingdom
68.
Zurück zum Zitat Garmestani H, Lin S, Adams B, Ahzi S (2001) Statistical continuum theory for large plastic deformation of polycrystalline materials. J Mech Phys Solids 49(3):589–607CrossRef Garmestani H, Lin S, Adams B, Ahzi S (2001) Statistical continuum theory for large plastic deformation of polycrystalline materials. J Mech Phys Solids 49(3):589–607CrossRef
69.
Zurück zum Zitat Adams BL, Gao XC, Kalidindi SR (2005) Finite approximations to the second-order properties closure in single phase polycrystals. Acta Mater 53(13):3563–3577CrossRef Adams BL, Gao XC, Kalidindi SR (2005) Finite approximations to the second-order properties closure in single phase polycrystals. Acta Mater 53(13):3563–3577CrossRef
70.
Zurück zum Zitat Binci M, Fullwood D, Kalidindi SR (2008) A new spectral framework for establishing localization relationships for elastic behavior of composites and their calibration to finite-element models. Acta Mater 56 (10):2272–2282CrossRef Binci M, Fullwood D, Kalidindi SR (2008) A new spectral framework for establishing localization relationships for elastic behavior of composites and their calibration to finite-element models. Acta Mater 56 (10):2272–2282CrossRef
71.
Zurück zum Zitat Landi G, Niezgoda SR, Kalidindi SR (2010) Multi-scale modeling of elastic response of three-dimensional voxel-based microstructure datasets using novel DFT-based knowledge systems. Acta Mater 58(7):2716–2725CrossRef Landi G, Niezgoda SR, Kalidindi SR (2010) Multi-scale modeling of elastic response of three-dimensional voxel-based microstructure datasets using novel DFT-based knowledge systems. Acta Mater 58(7):2716–2725CrossRef
72.
Zurück zum Zitat Kalidindi SR, Niezgoda SR, Landi G, Vachhani S, Fast T (2010) A novel framework for building materials knowledge systems. Computers, Materials, and Continua 17(2):103–125 Kalidindi SR, Niezgoda SR, Landi G, Vachhani S, Fast T (2010) A novel framework for building materials knowledge systems. Computers, Materials, and Continua 17(2):103–125
73.
Zurück zum Zitat Yabansu YC, Patel DK, Kalidindi SR (2014) Calibrated localization relationships for elastic response of polycrystalline aggregates. Acta Mater 81:151–160CrossRef Yabansu YC, Patel DK, Kalidindi SR (2014) Calibrated localization relationships for elastic response of polycrystalline aggregates. Acta Mater 81:151–160CrossRef
74.
Zurück zum Zitat Al-Harbi HF, Landi G, Kalidindi S (2012) Multi-scale modeling of the elastic response of a structural component made from a composite material using the materials knowledge system. Modell Simul Mater Sci Eng 20(5):055001CrossRef Al-Harbi HF, Landi G, Kalidindi S (2012) Multi-scale modeling of the elastic response of a structural component made from a composite material using the materials knowledge system. Modell Simul Mater Sci Eng 20(5):055001CrossRef
75.
Zurück zum Zitat Kalidindi SR, Niezgoda SR, Salem AA (2011) Microstructure informatics using higher-order statistics and efficient data-mining protocols. JOM 63(4):34–41CrossRef Kalidindi SR, Niezgoda SR, Salem AA (2011) Microstructure informatics using higher-order statistics and efficient data-mining protocols. JOM 63(4):34–41CrossRef
76.
Zurück zum Zitat Gupta A, Cecen A, Goyal S, Singh AK, Kalidindi SR (2015) Structure-property linkages using a data science approach: application to a non-metallic inclusion/steel composite system. Acta Mater 91:239–254CrossRef Gupta A, Cecen A, Goyal S, Singh AK, Kalidindi SR (2015) Structure-property linkages using a data science approach: application to a non-metallic inclusion/steel composite system. Acta Mater 91:239–254CrossRef
77.
Zurück zum Zitat Çeçen A, Fast T, Kumbur E, Kalidindi S (2014) A data-driven approach to establishing microstructure-property relationships in porous transport layers of polymer electrolyte fuel cells. J Power Sources 245:144–153CrossRef Çeçen A, Fast T, Kumbur E, Kalidindi S (2014) A data-driven approach to establishing microstructure-property relationships in porous transport layers of polymer electrolyte fuel cells. J Power Sources 245:144–153CrossRef
78.
Zurück zum Zitat Niezgoda SR, Kanjarla AK, Kalidindi SR (2013) Novel microstructure quantification framework for databasing, visualization, and analysis of microstructure data. Integrating Materials and Manufacturing Innovation 2(1):1–27CrossRef Niezgoda SR, Kanjarla AK, Kalidindi SR (2013) Novel microstructure quantification framework for databasing, visualization, and analysis of microstructure data. Integrating Materials and Manufacturing Innovation 2(1):1–27CrossRef
79.
Zurück zum Zitat Niezgoda SR, Yabansu YC, Kalidindi SR (2011) Understanding and visualizing microstructure and microstructure variance as a stochastic process. Acta Mater 59(16):6387–6400CrossRef Niezgoda SR, Yabansu YC, Kalidindi SR (2011) Understanding and visualizing microstructure and microstructure variance as a stochastic process. Acta Mater 59(16):6387–6400CrossRef
80.
Zurück zum Zitat Qidwai SM, Turner DM, Niezgoda SR, Lewis AC, Geltmacher AB, Rowenhorst DJ, Kalidindi SR (2012) Estimating the response of polycrystalline materials using sets of weighted statistical volume elements. Acta Mater 60(13):5284– 5299CrossRef Qidwai SM, Turner DM, Niezgoda SR, Lewis AC, Geltmacher AB, Rowenhorst DJ, Kalidindi SR (2012) Estimating the response of polycrystalline materials using sets of weighted statistical volume elements. Acta Mater 60(13):5284– 5299CrossRef
81.
Zurück zum Zitat Niezgoda SR, Turner DM, Fullwood DT, Kalidindi SR (2010) Optimized structure based representative volume element sets reflecting the ensemble-averaged 2-point statistics. Acta Mater 58(13):4432–4445CrossRef Niezgoda SR, Turner DM, Fullwood DT, Kalidindi SR (2010) Optimized structure based representative volume element sets reflecting the ensemble-averaged 2-point statistics. Acta Mater 58(13):4432–4445CrossRef
82.
Zurück zum Zitat Yabansu YC, Kalidindi SR (2015) Representation and calibration of elastic localization kernels for a broad class of cubic polycrystals. Acta Mater 94:26–35CrossRef Yabansu YC, Kalidindi SR (2015) Representation and calibration of elastic localization kernels for a broad class of cubic polycrystals. Acta Mater 94:26–35CrossRef
83.
Zurück zum Zitat Brough DB, Wheeler D, Warren JA, Kalidindi SR (2016) Microstructure-based knowledge systems for capturing process-structure evolution linkages. Curr Opin Solid State Mater Sci Brough DB, Wheeler D, Warren JA, Kalidindi SR (2016) Microstructure-based knowledge systems for capturing process-structure evolution linkages. Curr Opin Solid State Mater Sci
84.
Zurück zum Zitat Cecen A, Fast T, Kalidindi SR (2016) Versatile algorithms for the computation of 2-point spatial correlations in quantifying material structure. Integrating Materials and Manufacturing Innovation 5(1):1–15CrossRef Cecen A, Fast T, Kalidindi SR (2016) Versatile algorithms for the computation of 2-point spatial correlations in quantifying material structure. Integrating Materials and Manufacturing Innovation 5(1):1–15CrossRef
85.
Zurück zum Zitat Hotelling H (1933) Analysis of a complex of statistical variables into principal components. J Educ Psychol 24(6):417CrossRef Hotelling H (1933) Analysis of a complex of statistical variables into principal components. J Educ Psychol 24(6):417CrossRef
88.
Zurück zum Zitat Kalidindi SR, Duvvuru HK, Knezevic M (2006) Spectral calibration of crystal plasticity models. Acta Mater 54(7):1795– 1804CrossRef Kalidindi SR, Duvvuru HK, Knezevic M (2006) Spectral calibration of crystal plasticity models. Acta Mater 54(7):1795– 1804CrossRef
89.
Zurück zum Zitat Shaffer JB, Knezevic M, Kalidindi SR (2010) Building texture evolution networks for deformation processing of polycrystalline fcc metals using spectral approaches: applications to process design for targeted performance. Int J Plast 26(8):1183– 1194CrossRef Shaffer JB, Knezevic M, Kalidindi SR (2010) Building texture evolution networks for deformation processing of polycrystalline fcc metals using spectral approaches: applications to process design for targeted performance. Int J Plast 26(8):1183– 1194CrossRef
90.
Zurück zum Zitat Knezevic M, Levinson A, Harris R, Mishra RK, Doherty RD, Kalidindi SR (2010) Deformation twinning in AZ31: influence on strain hardening and texture evolution. Acta Mater 58(19):6230–6242CrossRef Knezevic M, Levinson A, Harris R, Mishra RK, Doherty RD, Kalidindi SR (2010) Deformation twinning in AZ31: influence on strain hardening and texture evolution. Acta Mater 58(19):6230–6242CrossRef
91.
Zurück zum Zitat Al-Harbi HF, Knezevic M, Kalidindi SR (2010) Spectral approaches for the fast computation of yield surfaces and first-order plastic property closures for polycrystalline materials with cubic-triclinic textures. Computers, Materials, and Continua 15(2):153–172 Al-Harbi HF, Knezevic M, Kalidindi SR (2010) Spectral approaches for the fast computation of yield surfaces and first-order plastic property closures for polycrystalline materials with cubic-triclinic textures. Computers, Materials, and Continua 15(2):153–172
92.
Zurück zum Zitat Duvvuru HK, Knezevic M, Mishra RK, Kalidindi S (2007) Application of microstructure sensitive design to FCC polycrystals. In: Materials Science Forum, vol 546. Trans Tech Publ, pp 675–680 Duvvuru HK, Knezevic M, Mishra RK, Kalidindi S (2007) Application of microstructure sensitive design to FCC polycrystals. In: Materials Science Forum, vol 546. Trans Tech Publ, pp 675–680
93.
Zurück zum Zitat Li D, Garmestani H, Schoenfeld S (2003) Evolution of crystal orientation distribution coefficients during plastic deformation. Scr Mater 49(9):867–872CrossRef Li D, Garmestani H, Schoenfeld S (2003) Evolution of crystal orientation distribution coefficients during plastic deformation. Scr Mater 49(9):867–872CrossRef
94.
Zurück zum Zitat Li D, Garmestani H, Adams B (2005) A texture evolution model in cubic-orthotropic polycrystalline system. Int J Plast 21(8):1591–1617CrossRef Li D, Garmestani H, Adams B (2005) A texture evolution model in cubic-orthotropic polycrystalline system. Int J Plast 21(8):1591–1617CrossRef
95.
Zurück zum Zitat Li D, Garmestani H, Ahzi S (2007) Processing path optimization to achieve desired texture in polycrystalline materials. Acta Mater 55(2):647–654CrossRef Li D, Garmestani H, Ahzi S (2007) Processing path optimization to achieve desired texture in polycrystalline materials. Acta Mater 55(2):647–654CrossRef
96.
Zurück zum Zitat Li DS, Bouhattate J, Garmestani H (2005) Processing path model to describe texture evolution during mechanical processing. In: Materials Science Forum, vol 495. Trans Tech Publ, pp 977–982 Li DS, Bouhattate J, Garmestani H (2005) Processing path model to describe texture evolution during mechanical processing. In: Materials Science Forum, vol 495. Trans Tech Publ, pp 977–982
97.
Zurück zum Zitat Creuziger A, Hu L, Gnäupel-herold T, Rollett AD (2014) Crystallographic texture evolution in 1008 steel sheet during multi-axial tensile strain paths. Integrating Materials and Manufacturing Innovation 3(1):1CrossRef Creuziger A, Hu L, Gnäupel-herold T, Rollett AD (2014) Crystallographic texture evolution in 1008 steel sheet during multi-axial tensile strain paths. Integrating Materials and Manufacturing Innovation 3(1):1CrossRef
98.
Zurück zum Zitat Sundararaghavan V, Zabaras N (2008) A multi-length scale sensitivity analysis for the control of texture-dependent properties in deformation processing. Int J Plast 24(9):1581–1605CrossRef Sundararaghavan V, Zabaras N (2008) A multi-length scale sensitivity analysis for the control of texture-dependent properties in deformation processing. Int J Plast 24(9):1581–1605CrossRef
99.
Zurück zum Zitat Sundararaghavan V, Zabaras N (2007) Linear analysis of texture-property relationships using process-based representations of rodrigues space. Acta Mater 55(5):1573–1587CrossRef Sundararaghavan V, Zabaras N (2007) Linear analysis of texture-property relationships using process-based representations of rodrigues space. Acta Mater 55(5):1573–1587CrossRef
100.
Zurück zum Zitat Van Der Walt S, Colbert SC, Varoquaux G (2011) The numpy array: a structure for efficient numerical computation. Comput Sci Eng 13(2):22–30 Van Der Walt S, Colbert SC, Varoquaux G (2011) The numpy array: a structure for efficient numerical computation. Comput Sci Eng 13(2):22–30
101.
Zurück zum Zitat Jones E, Oliphant T, Peterson P (2014) Scipy: open source scientific tools for Python Jones E, Oliphant T, Peterson P (2014) Scipy: open source scientific tools for Python
104.
Zurück zum Zitat Frigo M, Johnson SG (1998) FFTW: an adaptive software architecture for the FFT. In: Proceedings of the 1998 IEEE International Conference On Acoustics, Speech and Signal Processing, 1998, vol 3. IEEE, pp 1381–1384 Frigo M, Johnson SG (1998) FFTW: an adaptive software architecture for the FFT. In: Proceedings of the 1998 IEEE International Conference On Acoustics, Speech and Signal Processing, 1998, vol 3. IEEE, pp 1381–1384
105.
Zurück zum Zitat Hunter JD et al (2007) Matplotlib: a 2D graphics environment. Comput Sci Eng 9(3):90–95CrossRef Hunter JD et al (2007) Matplotlib: a 2D graphics environment. Comput Sci Eng 9(3):90–95CrossRef
Metadaten
Titel
Materials Knowledge Systems in Python—a Data Science Framework for Accelerated Development of Hierarchical Materials
verfasst von
David B Brough
Daniel Wheeler
Surya R. Kalidindi
Publikationsdatum
15.03.2017
Verlag
Springer International Publishing
Erschienen in
Integrating Materials and Manufacturing Innovation / Ausgabe 1/2017
Print ISSN: 2193-9764
Elektronische ISSN: 2193-9772
DOI
https://doi.org/10.1007/s40192-017-0089-0

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