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Published in: Computational Mechanics 3/2023

12-04-2023 | Original Paper

An asynchronous parallel high-throughput model calibration framework for crystal plasticity finite element constitutive models

Authors: Anh Tran, Hojun Lim

Published in: Computational Mechanics | Issue 3/2023

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Abstract

Crystal plasticity finite element model (CPFEM) is a powerful numerical simulation in the integrated computational materials engineering toolboxes that relates microstructures to homogenized materials properties and establishes the structure–property linkages in computational materials science. However, to establish the predictive capability, one needs to calibrate the underlying constitutive model, verify the solution and validate the model prediction against experimental data. Bayesian optimization (BO) has stood out as a gradient-free efficient global optimization algorithm that is capable of calibrating constitutive models for CPFEM. In this paper, we apply a recently developed asynchronous parallel constrained BO algorithm to calibrate phenomenological constitutive models for stainless steel 304 L, Tantalum, and Cantor high-entropy alloy.

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Literature
1.
go back to reference Hey T, Tansley S, Tolle KM, et al (2009) The fourth paradigm: data-intensive scientific discovery. vol 1. Microsoft research Redmond, WA Hey T, Tansley S, Tolle KM, et al (2009) The fourth paradigm: data-intensive scientific discovery. vol 1. Microsoft research Redmond, WA
2.
go back to reference Agrawal A, Choudhary A (2016) Perspective: materials informatics and big data: realization of the “fourth paradigm’’ of science in materials science. APL Mater 4(5):053208CrossRef Agrawal A, Choudhary A (2016) Perspective: materials informatics and big data: realization of the “fourth paradigm’’ of science in materials science. APL Mater 4(5):053208CrossRef
3.
go back to reference US NSTC (2011) Materials Genome Initiative for Global Competitiveness. Executive Office of the President, National Science and Technology Council US NSTC (2011) Materials Genome Initiative for Global Competitiveness. Executive Office of the President, National Science and Technology Council
4.
go back to reference Holdren JP, Kalil T, Wadia C, Locascio L, Kung H, Horton L, Warren J (2014) Materials genome initiative strategic plan. National Science And Technology Council Holdren JP, Kalil T, Wadia C, Locascio L, Kung H, Horton L, Warren J (2014) Materials genome initiative strategic plan. National Science And Technology Council
5.
go back to reference Lander E, Koizumi K, Christodoulou J, Sapochak L, Friedersdorf LE, Warren J (2021) Materials genome initiative strategic plan. National Science And Technology Council Lander E, Koizumi K, Christodoulou J, Sapochak L, Friedersdorf LE, Warren J (2021) Materials genome initiative strategic plan. National Science And Technology Council
6.
go back to reference Roters F, Diehl M, Shanthraj P, Eisenlohr P, Reuber C, Wong SL, Maiti T, Ebrahimi A, Hochrainer T, Fabritius H-O et al (2019) DAMASK-The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Comput Mater Sci 158:420–478CrossRef Roters F, Diehl M, Shanthraj P, Eisenlohr P, Reuber C, Wong SL, Maiti T, Ebrahimi A, Hochrainer T, Fabritius H-O et al (2019) DAMASK-The Düsseldorf Advanced Material Simulation Kit for modeling multi-physics crystal plasticity, thermal, and damage phenomena from the single crystal up to the component scale. Comput Mater Sci 158:420–478CrossRef
7.
go back to reference Hill MD, Marty MR (2008) Amdahl’s law in the multicore era. Computer 41(7):33–38CrossRef Hill MD, Marty MR (2008) Amdahl’s law in the multicore era. Computer 41(7):33–38CrossRef
8.
go back to reference Raabe D (1998) Computational materials science: the simulation of materials microstructures and properties. Wiley-Vch Raabe D (1998) Computational materials science: the simulation of materials microstructures and properties. Wiley-Vch
9.
go back to reference Raabe D, Roters F, Barlat F, Chen L-Q (2004) Continuum scale simulation of engineering materials: fundamentals-microstructures-process applications. Wiley Raabe D, Roters F, Barlat F, Chen L-Q (2004) Continuum scale simulation of engineering materials: fundamentals-microstructures-process applications. Wiley
10.
go back to reference Janssens KGF, Raabe D, Kozeschnik E, Miodownik MA, Nestler B ( 2010) Computational materials engineering: an introduction to microstructure evolution. Academic Press Janssens KGF, Raabe D, Kozeschnik E, Miodownik MA, Nestler B ( 2010) Computational materials engineering: an introduction to microstructure evolution. Academic Press
11.
go back to reference Roters F, Eisenlohr P, Bieler TR, Raabe D ( 2011) Crystal plasticity finite element methods: in materials science and engineering. Wiley Roters F, Eisenlohr P, Bieler TR, Raabe D ( 2011) Crystal plasticity finite element methods: in materials science and engineering. Wiley
12.
go back to reference Chakraborty A, Eisenlohr P (2017) Evaluation of an inverse methodology for estimating constitutive parameters in face-centered cubic materials from single crystal indentations. Eur J Mech-A/Solids 66:114–124MathSciNetMATHCrossRef Chakraborty A, Eisenlohr P (2017) Evaluation of an inverse methodology for estimating constitutive parameters in face-centered cubic materials from single crystal indentations. Eur J Mech-A/Solids 66:114–124MathSciNetMATHCrossRef
13.
go back to reference Hérault D, Thuillier S, Lee S-Y, Manach P-Y, Barlat F (2021) Calibration of a strain path change model for a dual phase steel. Int J Mech Sci 194:106217CrossRef Hérault D, Thuillier S, Lee S-Y, Manach P-Y, Barlat F (2021) Calibration of a strain path change model for a dual phase steel. Int J Mech Sci 194:106217CrossRef
14.
go back to reference Nguyen T, Francom DC, Luscher DJ, Wilkerson J (2021) Bayesian calibration of a physics-based crystal plasticity and damage model. J Mech Phys Solids 149:104284MathSciNetCrossRef Nguyen T, Francom DC, Luscher DJ, Wilkerson J (2021) Bayesian calibration of a physics-based crystal plasticity and damage model. J Mech Phys Solids 149:104284MathSciNetCrossRef
15.
go back to reference Savage DJ, Feng Z, Knezevic M (2021) Identification of crystal plasticity model parameters by multi-objective optimization integrating microstructural evolution and mechanical data. Comput Methods Appl Mech Eng 379:113747MathSciNetMATHCrossRef Savage DJ, Feng Z, Knezevic M (2021) Identification of crystal plasticity model parameters by multi-objective optimization integrating microstructural evolution and mechanical data. Comput Methods Appl Mech Eng 379:113747MathSciNetMATHCrossRef
16.
go back to reference Hochhalter J, Bomarito G, Yeratapally S, Leser P, Ruggles T, Warner J, Leser W ( 2020) Non-deterministic calibration of crystal plasticity model parameters. In: Integrated computational materials engineering (ICME). Springer, pp 165–198 Hochhalter J, Bomarito G, Yeratapally S, Leser P, Ruggles T, Warner J, Leser W ( 2020) Non-deterministic calibration of crystal plasticity model parameters. In: Integrated computational materials engineering (ICME). Springer, pp 165–198
17.
go back to reference Kuhn J, Spitz J, Sonnweber-Ribic P, Schneider M, Böhlke T (2022) Identifying material parameters in crystal plasticity by Bayesian optimization. Optim Eng 23(3):1489–1523MathSciNetMATHCrossRef Kuhn J, Spitz J, Sonnweber-Ribic P, Schneider M, Böhlke T (2022) Identifying material parameters in crystal plasticity by Bayesian optimization. Optim Eng 23(3):1489–1523MathSciNetMATHCrossRef
18.
go back to reference Sedighiani K, Diehl M, Traka K, Roters F, Sietsma J, Raabe D (2020) An efficient and robust approach to determine material parameters of crystal plasticity constitutive laws from macro-scale stress-strain curves. Int J Plast 134:102779CrossRef Sedighiani K, Diehl M, Traka K, Roters F, Sietsma J, Raabe D (2020) An efficient and robust approach to determine material parameters of crystal plasticity constitutive laws from macro-scale stress-strain curves. Int J Plast 134:102779CrossRef
19.
go back to reference Sedighiani K, Traka K, Roters F, Raabe D, Sietsma J, Diehl M (2022) Determination and analysis of the constitutive parameters of temperature-dependent dislocation-density-based crystal plasticity models. Mech Mater 164:104117CrossRef Sedighiani K, Traka K, Roters F, Raabe D, Sietsma J, Diehl M (2022) Determination and analysis of the constitutive parameters of temperature-dependent dislocation-density-based crystal plasticity models. Mech Mater 164:104117CrossRef
20.
go back to reference Wang K, Sun W, Salager S, Na S, Khaddour G (2016) Identifying material parameters for a micro-polar plasticity model via X-ray micro-computed tomographic (CT) images: lessons learned from the curve-fitting exercises. Int JMultiscale Comput Eng 14(4) Wang K, Sun W, Salager S, Na S, Khaddour G (2016) Identifying material parameters for a micro-polar plasticity model via X-ray micro-computed tomographic (CT) images: lessons learned from the curve-fitting exercises. Int JMultiscale Comput Eng 14(4)
21.
go back to reference Liu Y, Sun W, Fish J (2016) Determining material parameters for critical state plasticity models based on multilevel extended digital database. J Appl Mech 83(1) Liu Y, Sun W, Fish J (2016) Determining material parameters for critical state plasticity models based on multilevel extended digital database. J Appl Mech 83(1)
22.
go back to reference Herrera-Solaz V, Lorca J, Dogan E, Karaman I, Segurado J (2014) An inverse optimization strategy to determine single crystal mechanical behavior from polycrystal tests: application to AZ31 Mg alloy. Int J Plast 57:1–15CrossRef Herrera-Solaz V, Lorca J, Dogan E, Karaman I, Segurado J (2014) An inverse optimization strategy to determine single crystal mechanical behavior from polycrystal tests: application to AZ31 Mg alloy. Int J Plast 57:1–15CrossRef
23.
go back to reference Do B, Ohsaki M (2022) Bayesian optimization for inverse identification of cyclic constitutive law of structural steels from cyclic structural tests. In: Structures. Elsevier, vol 38, pp 1079–1097 Do B, Ohsaki M (2022) Bayesian optimization for inverse identification of cyclic constitutive law of structural steels from cyclic structural tests. In: Structures. Elsevier, vol 38, pp 1079–1097
24.
go back to reference Do B, Ohsaki M (2022) Proximal-exploration multi-objective bayesian optimization for inverse identification of cyclic constitutive law of structural steels. Struct Multidiscip Optim 65(7):1–24CrossRef Do B, Ohsaki M (2022) Proximal-exploration multi-objective bayesian optimization for inverse identification of cyclic constitutive law of structural steels. Struct Multidiscip Optim 65(7):1–24CrossRef
25.
go back to reference Seidl DT, Granzow BN (2022) Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities. Int J Numer Meth Eng 123(1):69–100MathSciNetCrossRef Seidl DT, Granzow BN (2022) Calibration of elastoplastic constitutive model parameters from full-field data with automatic differentiation-based sensitivities. Int J Numer Meth Eng 123(1):69–100MathSciNetCrossRef
26.
go back to reference Corona E, Kramer SLB, Scherzinger WM, Jones AR (2021) Anisotropic plasticity model forms for extruded Al 7079: Part I, calibration. Int J Solids Struct 213:135–147CrossRef Corona E, Kramer SLB, Scherzinger WM, Jones AR (2021) Anisotropic plasticity model forms for extruded Al 7079: Part I, calibration. Int J Solids Struct 213:135–147CrossRef
27.
go back to reference Jones E, Corona E, Jones AR, Scherzinger WM, Kramer SLB (2021) Anisotropic plasticity model forms for extruded Al 7079: Part II, validation. Int J Solids Struct 213:148–166CrossRef Jones E, Corona E, Jones AR, Scherzinger WM, Kramer SLB (2021) Anisotropic plasticity model forms for extruded Al 7079: Part II, validation. Int J Solids Struct 213:148–166CrossRef
28.
go back to reference Karandikar J, Chaudhuri A, No T, Smith S, Schmitz T (2022) Bayesian optimization for inverse calibration of expensive computer models: a case study for Johnson-Cook model in machining. Manuf Lett 32:32–38CrossRef Karandikar J, Chaudhuri A, No T, Smith S, Schmitz T (2022) Bayesian optimization for inverse calibration of expensive computer models: a case study for Johnson-Cook model in machining. Manuf Lett 32:32–38CrossRef
29.
go back to reference Sun, X., Wang, H ( 2022) A method for crystal plasticity model parameter calibration based on Bayesian optimization. In: Magnesium technology 2022. Springer, pp 105–111 Sun, X., Wang, H ( 2022) A method for crystal plasticity model parameter calibration based on Bayesian optimization. In: Magnesium technology 2022. Springer, pp 105–111
30.
go back to reference Morand L, Helm D (2019) A mixture of experts approach to handle ambiguities in parameter identification problems in material modeling. Comput Mater Sci 167:85–91CrossRef Morand L, Helm D (2019) A mixture of experts approach to handle ambiguities in parameter identification problems in material modeling. Comput Mater Sci 167:85–91CrossRef
31.
go back to reference Generale AP, Hall R, Brockman R, Joseph VR, Jefferson G, Zawada L, Pierce J, Kalidindi SR (2022) Bayesian calibration of continuum damage model parameters for an oxide-oxide ceramic matrix composite using inhomogeneous experimental data. Mech Mater:104487 Generale AP, Hall R, Brockman R, Joseph VR, Jefferson G, Zawada L, Pierce J, Kalidindi SR (2022) Bayesian calibration of continuum damage model parameters for an oxide-oxide ceramic matrix composite using inhomogeneous experimental data. Mech Mater:104487
32.
go back to reference Zambaldi C, Yang Y, Bieler TR, Raabe D (2012) Orientation informed nanoindentation of \(\alpha \)-Titanium: indentation pileup in hexagonal metals deforming by prismatic slip. J Mater Res 27(1):356–367CrossRef Zambaldi C, Yang Y, Bieler TR, Raabe D (2012) Orientation informed nanoindentation of \(\alpha \)-Titanium: indentation pileup in hexagonal metals deforming by prismatic slip. J Mater Res 27(1):356–367CrossRef
33.
go back to reference Bolzon G, Maier G, Panico M (2004) Material model calibration by indentation, imprint mapping and inverse analysis. Int J Solids Struct 41(11–12):2957–2975MATHCrossRef Bolzon G, Maier G, Panico M (2004) Material model calibration by indentation, imprint mapping and inverse analysis. Int J Solids Struct 41(11–12):2957–2975MATHCrossRef
34.
go back to reference Fuhg JN, van Wees L, Obstalecki M, Shade P, Bouklas N, Kasemer M (2022) Machine-learning convex and texture-dependent macroscopic yield from crystal plasticity simulations. Materialia 23:101446CrossRef Fuhg JN, van Wees L, Obstalecki M, Shade P, Bouklas N, Kasemer M (2022) Machine-learning convex and texture-dependent macroscopic yield from crystal plasticity simulations. Materialia 23:101446CrossRef
35.
go back to reference Fuhg JN, Marino M, Bouklas N (2022) Local approximate Gaussian process regression for data-driven constitutive models: development and comparison with neural networks. Comput Methods Appl Mech Eng 388:114217MathSciNetMATHCrossRef Fuhg JN, Marino M, Bouklas N (2022) Local approximate Gaussian process regression for data-driven constitutive models: development and comparison with neural networks. Comput Methods Appl Mech Eng 388:114217MathSciNetMATHCrossRef
36.
go back to reference Zhang T, Xie H, Huo M, Jia F, Li L, Pan D, Wu H, Liu J, Yang T, Jiang F et al (2022) A method for the determination of individual phase properties in multiphase steels. Mater Sci Eng A 854:143707CrossRef Zhang T, Xie H, Huo M, Jia F, Li L, Pan D, Wu H, Liu J, Yang T, Jiang F et al (2022) A method for the determination of individual phase properties in multiphase steels. Mater Sci Eng A 854:143707CrossRef
37.
38.
go back to reference Wang J, Clark SC, Liu E, Frazier PI (2020) Parallel bayesian global optimization of expensive functions. Oper Res 68(6):1850–1865MathSciNetMATHCrossRef Wang J, Clark SC, Liu E, Frazier PI (2020) Parallel bayesian global optimization of expensive functions. Oper Res 68(6):1850–1865MathSciNetMATHCrossRef
39.
go back to reference Veasna K, Feng Z, Zhang Q, Knezevic M (2023) Machine learning-based multi-objective optimization for efficient identification of crystal plasticity model parameters. Comput Methods Appl Mech Eng 403:115740MathSciNetMATHCrossRef Veasna K, Feng Z, Zhang Q, Knezevic M (2023) Machine learning-based multi-objective optimization for efficient identification of crystal plasticity model parameters. Comput Methods Appl Mech Eng 403:115740MathSciNetMATHCrossRef
40.
go back to reference Ponweiser W, Wagner T, Biermann D, Vincze M (2008) Multiobjective optimization on a limited budget of evaluations using model-assisted \(\cal{S}\)-metric selection. In: Parallel Problem Solving from Nature–PPSN X: 10th International Conference, Dortmund, Germany, September 13-17, 2008. Proceedings 10. Springer, pp 784–794 Ponweiser W, Wagner T, Biermann D, Vincze M (2008) Multiobjective optimization on a limited budget of evaluations using model-assisted \(\cal{S}\)-metric selection. In: Parallel Problem Solving from Nature–PPSN X: 10th International Conference, Dortmund, Germany, September 13-17, 2008. Proceedings 10. Springer, pp 784–794
41.
go back to reference Bostanabad R, Kearney T, Tao S, Apley DW, Chen W (2018) Leveraging the nugget parameter for efficient Gaussian process modeling. Int J Numer Meth Eng 114(5):501–516MathSciNetCrossRef Bostanabad R, Kearney T, Tao S, Apley DW, Chen W (2018) Leveraging the nugget parameter for efficient Gaussian process modeling. Int J Numer Meth Eng 114(5):501–516MathSciNetCrossRef
42.
go back to reference Tran A, Eldred M, Wildey T, McCann S, Sun J, Visintainer RJ (2022) aphBO-2GP-3B: a budgeted asynchronous parallel multi-acquisition functions for constrained Bayesian optimization on high-performing computing architecture. Struct Multidiscip Optim 65(4):1–45MathSciNetCrossRef Tran A, Eldred M, Wildey T, McCann S, Sun J, Visintainer RJ (2022) aphBO-2GP-3B: a budgeted asynchronous parallel multi-acquisition functions for constrained Bayesian optimization on high-performing computing architecture. Struct Multidiscip Optim 65(4):1–45MathSciNetCrossRef
44.
go back to reference Brochu E, Cora VM, de Freitas N (2010) A tutorial on Bayesian optimization of expensive cost functions, with application to active user modeling and hierarchical reinforcement learning. Preprint arXiv:1012.2599 Brochu E, Cora VM, de Freitas N (2010) A tutorial on Bayesian optimization of expensive cost functions, with application to active user modeling and hierarchical reinforcement learning. Preprint arXiv:​1012.​2599
45.
go back to reference Shahriari B, Swersky K, Wang Z, Adams RP, de Freitas N (2016) Taking the human out of the loop: a review of Bayesian optimization. Proc IEEE 104(1):148–175CrossRef Shahriari B, Swersky K, Wang Z, Adams RP, de Freitas N (2016) Taking the human out of the loop: a review of Bayesian optimization. Proc IEEE 104(1):148–175CrossRef
47.
go back to reference Jones DR, Schonlau M, Welch WJ (1998) Efficient global optimization of expensive black-box functions. J Global Optim 13(4):455–492MathSciNetMATHCrossRef Jones DR, Schonlau M, Welch WJ (1998) Efficient global optimization of expensive black-box functions. J Global Optim 13(4):455–492MathSciNetMATHCrossRef
48.
go back to reference Tran A, Wildey T, McCann S (2020) sMF-BO-2CoGP: a sequential multi-fidelity constrained Bayesian optimization for design applications. J Comput Inf Sci Eng 20(3):1–15CrossRef Tran A, Wildey T, McCann S (2020) sMF-BO-2CoGP: a sequential multi-fidelity constrained Bayesian optimization for design applications. J Comput Inf Sci Eng 20(3):1–15CrossRef
49.
go back to reference Tran A, Wang Y, Furlan J, Pagalthivarthi KV, Garman M, Cutright A, Visintainer RJ (2020) WearGP: A UQ/ML wear prediction framework for slurry pump impellers and casings. In: ASME 2020 fluids engineering division summer meeting . American Society of Mechanical Engineers Tran A, Wang Y, Furlan J, Pagalthivarthi KV, Garman M, Cutright A, Visintainer RJ (2020) WearGP: A UQ/ML wear prediction framework for slurry pump impellers and casings. In: ASME 2020 fluids engineering division summer meeting . American Society of Mechanical Engineers
50.
go back to reference Tran A, Wildey T, McCann S (2019) sBF-BO-2CoGP: A sequential bi-fidelity constrained Bayesian optimization for design applications. In: Proceedings of the ASME 2019 IDETC/CIE. International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, vol. Volume 1: 39th Computers and Information in Engineering Conference. American Society of Mechanical Engineers. V001T02A073 Tran A, Wildey T, McCann S (2019) sBF-BO-2CoGP: A sequential bi-fidelity constrained Bayesian optimization for design applications. In: Proceedings of the ASME 2019 IDETC/CIE. International Design Engineering Technical Conferences and Computers and Information in Engineering Conference, vol. Volume 1: 39th Computers and Information in Engineering Conference. American Society of Mechanical Engineers. V001T02A073
51.
go back to reference Tran A, Sun J, Furlan JM, Pagalthivarthi KV, Visintainer RJ, Wang Y (2019) pBO-2GP-3B: a batch parallel known/unknown constrained Bayesian optimization with feasibility classification and its applications in computational fluid dynamics. Comput Methods Appl Mech Eng 347:827–852MathSciNetMATHCrossRef Tran A, Sun J, Furlan JM, Pagalthivarthi KV, Visintainer RJ, Wang Y (2019) pBO-2GP-3B: a batch parallel known/unknown constrained Bayesian optimization with feasibility classification and its applications in computational fluid dynamics. Comput Methods Appl Mech Eng 347:827–852MathSciNetMATHCrossRef
52.
go back to reference Tran A, Tran M, Wang Y (2019) Constrained mixed-integer Gaussian mixture Bayesian optimization and its applications in designing fractal and auxetic metamaterials. Struct Multidiscip Optim 59:2131–2154MathSciNetCrossRef Tran A, Tran M, Wang Y (2019) Constrained mixed-integer Gaussian mixture Bayesian optimization and its applications in designing fractal and auxetic metamaterials. Struct Multidiscip Optim 59:2131–2154MathSciNetCrossRef
53.
go back to reference Tran A, He L, Wang Y (2018) An efficient first-principles saddle point searching method based on distributed kriging metamodels. ASCE-ASME J Risk Uncertain Eng Sys Part B Mech Eng 4(1):011006CrossRef Tran A, He L, Wang Y (2018) An efficient first-principles saddle point searching method based on distributed kriging metamodels. ASCE-ASME J Risk Uncertain Eng Sys Part B Mech Eng 4(1):011006CrossRef
54.
go back to reference Tran A, Furlan JM, Pagalthivarthi KV, Visintainer RJ, Wildey T, Wang Y (2019) WearGP: a computationally efficient machine learning framework for local erosive wear predictions via nodal Gaussian processes. Wear 422:9–26CrossRef Tran A, Furlan JM, Pagalthivarthi KV, Visintainer RJ, Wildey T, Wang Y (2019) WearGP: a computationally efficient machine learning framework for local erosive wear predictions via nodal Gaussian processes. Wear 422:9–26CrossRef
55.
go back to reference a Rasmussen CE (2006) Gaussian processes in machine learning. MIT Press a Rasmussen CE (2006) Gaussian processes in machine learning. MIT Press
56.
go back to reference Lee J, Bahri Y, Novak R, Schoenholz SS, Pennington J, Sohl-Dickstein J ( 2018) Deep neural networks as Gaussian processes. In: ICLR Lee J, Bahri Y, Novak R, Schoenholz SS, Pennington J, Sohl-Dickstein J ( 2018) Deep neural networks as Gaussian processes. In: ICLR
57.
go back to reference Garriga-Alonso A, Rasmussen CE, Aitchison L (2019) Deep convolutional networks as shallow Gaussian processes. In: ICLR Garriga-Alonso A, Rasmussen CE, Aitchison L (2019) Deep convolutional networks as shallow Gaussian processes. In: ICLR
58.
go back to reference Kushner HJ (1964) A new method of locating the maximum point of an arbitrary multipeak curve in the presence of noise. J Basic Eng 86(1):97–106CrossRef Kushner HJ (1964) A new method of locating the maximum point of an arbitrary multipeak curve in the presence of noise. J Basic Eng 86(1):97–106CrossRef
59.
go back to reference Mockus J (1975) On Bayesian methods for seeking the extremum. In: Optimization techniques IFIP technical conference. Springer, pp 400–404 Mockus J (1975) On Bayesian methods for seeking the extremum. In: Optimization techniques IFIP technical conference. Springer, pp 400–404
60.
go back to reference Mockus J (1982) The Bayesian approach to global optimization. Syst Model Optim:473–481 Mockus J (1982) The Bayesian approach to global optimization. Syst Model Optim:473–481
62.
go back to reference Bull AD (2011) Convergence rates of efficient global optimization algorithms. J Mach Learn Res 12:2879–2904MathSciNetMATH Bull AD (2011) Convergence rates of efficient global optimization algorithms. J Mach Learn Res 12:2879–2904MathSciNetMATH
63.
go back to reference Snoek J, Larochelle H, Adams RP (2012) Practical Bayesian optimization of machine learning algorithms. In: Advances in neural information processing systems, pp 2951–2959 Snoek J, Larochelle H, Adams RP (2012) Practical Bayesian optimization of machine learning algorithms. In: Advances in neural information processing systems, pp 2951–2959
64.
go back to reference Scott W, Frazier P, Powell W (2011) The correlated knowledge gradient for simulation optimization of continuous parameters using Gaussian process regression. SIAM J Optim 21(3):996–1026MathSciNetMATHCrossRef Scott W, Frazier P, Powell W (2011) The correlated knowledge gradient for simulation optimization of continuous parameters using Gaussian process regression. SIAM J Optim 21(3):996–1026MathSciNetMATHCrossRef
65.
go back to reference Auer P (2002) Using confidence bounds for exploitation-exploration trade-offs. J Mach Learn Res 3:397–422MathSciNetMATH Auer P (2002) Using confidence bounds for exploitation-exploration trade-offs. J Mach Learn Res 3:397–422MathSciNetMATH
66.
go back to reference Srinivas N, Krause A, Kakade SM, Seeger M (2009) Gaussian process optimization in the bandit setting: no regret and experimental design. Preprint arXiv:0912.3995 Srinivas N, Krause A, Kakade SM, Seeger M (2009) Gaussian process optimization in the bandit setting: no regret and experimental design. Preprint arXiv:​0912.​3995
67.
go back to reference Srinivas N, Krause A, Kakade SM, Seeger MW (2012) Information-theoretic regret bounds for Gaussian process optimization in the bandit setting. IEEE Trans Inf Theory 58(5):3250–3265MathSciNetMATHCrossRef Srinivas N, Krause A, Kakade SM, Seeger MW (2012) Information-theoretic regret bounds for Gaussian process optimization in the bandit setting. IEEE Trans Inf Theory 58(5):3250–3265MathSciNetMATHCrossRef
68.
go back to reference Daniel C, Viering M, Metz J, Kroemer O, Peters J (2014) Active reward learning. In: Robotics: science and systems Daniel C, Viering M, Metz J, Kroemer O, Peters J (2014) Active reward learning. In: Robotics: science and systems
69.
go back to reference Hernández-Lobato JM, Hoffman MW, Ghahramani Z (2014) Predictive entropy search for efficient global optimization of black-box functions. In: Advances in neural information processing systems, pp 918–926 Hernández-Lobato JM, Hoffman MW, Ghahramani Z (2014) Predictive entropy search for efficient global optimization of black-box functions. In: Advances in neural information processing systems, pp 918–926
70.
go back to reference Hernández-Lobato JM, Gelbart M, Hoffman M, Adams R, Ghahramani Z (2015) Predictive entropy search for Bayesian optimization with unknown constraints. In: International conference on machine learning, pp 1699–1707 Hernández-Lobato JM, Gelbart M, Hoffman M, Adams R, Ghahramani Z (2015) Predictive entropy search for Bayesian optimization with unknown constraints. In: International conference on machine learning, pp 1699–1707
71.
go back to reference Hernández-Lobato D, Hernández-Lobato J, Shah A, Adams R ( 2016) Predictive entropy search for multi-objective Bayesian optimization. In: International conference on machine learning, pp 1492–1501 Hernández-Lobato D, Hernández-Lobato J, Shah A, Adams R ( 2016) Predictive entropy search for multi-objective Bayesian optimization. In: International conference on machine learning, pp 1492–1501
72.
go back to reference Hernández-Lobato JM, Gelbart MA, Adams RP, Hoffman MW, Ghahramani Z (2016) A general framework for constrained bayesian optimization using information-based search. J Mach Learn Res Hernández-Lobato JM, Gelbart MA, Adams RP, Hoffman MW, Ghahramani Z (2016) A general framework for constrained bayesian optimization using information-based search. J Mach Learn Res
73.
go back to reference Hennig P, Schuler CJ (2012) Entropy search for information-efficient global optimization. J Mach Learn Res 13:1809–1837MathSciNetMATH Hennig P, Schuler CJ (2012) Entropy search for information-efficient global optimization. J Mach Learn Res 13:1809–1837MathSciNetMATH
75.
go back to reference Wilson J, Hutter F, Deisenroth M (2018) Maximizing acquisition functions for Bayesian optimization. Adv Neural Inf Process Syst 31:9884–9895 Wilson J, Hutter F, Deisenroth M (2018) Maximizing acquisition functions for Bayesian optimization. Adv Neural Inf Process Syst 31:9884–9895
76.
go back to reference Parr J, Keane A, Forrester AI, Holden C (2012) Infill sampling criteria for surrogate-based optimization with constraint handling. Eng Optim 44(10):1147–1166MATHCrossRef Parr J, Keane A, Forrester AI, Holden C (2012) Infill sampling criteria for surrogate-based optimization with constraint handling. Eng Optim 44(10):1147–1166MATHCrossRef
78.
go back to reference Hoffman M, Brochu E, de Freitas N ( 2011) Portfolio allocation for bayesian optimization. In: Proceedings of the twenty-seventh conference on uncertainty in artificial intelligence. UAI’11. AUAI Press, Arlington, Virginia, pp 327–336 Hoffman M, Brochu E, de Freitas N ( 2011) Portfolio allocation for bayesian optimization. In: Proceedings of the twenty-seventh conference on uncertainty in artificial intelligence. UAI’11. AUAI Press, Arlington, Virginia, pp 327–336
79.
go back to reference Hutchinson JW (1976) Bounds and self-consistent estimates for creep of polycrystalline materials. Proc R Soc Lond A Math Phys Sci 348(1652):101–127MATH Hutchinson JW (1976) Bounds and self-consistent estimates for creep of polycrystalline materials. Proc R Soc Lond A Math Phys Sci 348(1652):101–127MATH
80.
go back to reference Kalidindi SR (1998) Incorporation of deformation twinning in crystal plasticity models. J Mech Phys Solids 46(2):267–290MATHCrossRef Kalidindi SR (1998) Incorporation of deformation twinning in crystal plasticity models. J Mech Phys Solids 46(2):267–290MATHCrossRef
81.
go back to reference Groeber MA, Jackson MA (2014) DREAM.3D: a digital representation environment for the analysis of microstructure in 3D. Integr Materi Manuf Innov 3(1):5 Groeber MA, Jackson MA (2014) DREAM.3D: a digital representation environment for the analysis of microstructure in 3D. Integr Materi Manuf Innov 3(1):5
82.
go back to reference Balay S, Abhyankar S, Adams M, Brown J, Brune P, Buschelman K, Dalcin L, Dener A, Eijkhout V, Gropp W, et al (2019) PETSc users manual Balay S, Abhyankar S, Adams M, Brown J, Brune P, Buschelman K, Dalcin L, Dener A, Eijkhout V, Gropp W, et al (2019) PETSc users manual
83.
go back to reference Eisenlohr P, Diehl M, Lebensohn RA, Roters F (2013) A spectral method solution to crystal elasto-viscoplasticity at finite strains. Int J Plast 46:37–53CrossRef Eisenlohr P, Diehl M, Lebensohn RA, Roters F (2013) A spectral method solution to crystal elasto-viscoplasticity at finite strains. Int J Plast 46:37–53CrossRef
84.
go back to reference Diehl M, Groeber M, Haase C, Molodov DA, Roters F, Raabe D (2017) Identifying structure-property relationships through DREAM.3D representative volume elements and DAMASK crystal plasticity simulations: an integrated computational materials engineering approach. JOM 69(5):848–855CrossRef Diehl M, Groeber M, Haase C, Molodov DA, Roters F, Raabe D (2017) Identifying structure-property relationships through DREAM.3D representative volume elements and DAMASK crystal plasticity simulations: an integrated computational materials engineering approach. JOM 69(5):848–855CrossRef
85.
go back to reference Dalbey K, Eldred M, Geraci G, Jakeman J, Maupin K, Monschke JA, Seidl D, Tran A, Menhorn F, Zeng X (2022) Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.16 Theory Manual. Technical report, Sandia National Lab.(SNL-NM), Albuquerque, NM (United States) Dalbey K, Eldred M, Geraci G, Jakeman J, Maupin K, Monschke JA, Seidl D, Tran A, Menhorn F, Zeng X (2022) Dakota, A Multilevel Parallel Object-Oriented Framework for Design Optimization, Parameter Estimation, Uncertainty Quantification, and Sensitivity Analysis: Version 6.16 Theory Manual. Technical report, Sandia National Lab.(SNL-NM), Albuquerque, NM (United States)
86.
go back to reference Shanthraj P, Diehl M, Eisenlohr P, Roters F, Raabe D, Chen C, Chawla K, Chawla N, Chen W, Kagawa Y (2019) Spectral solvers for crystal plasticity and multi-physics simulations. Handbook of Mechanics of Materials, Springer, Berlin, 978–981 Shanthraj P, Diehl M, Eisenlohr P, Roters F, Raabe D, Chen C, Chawla K, Chawla N, Chen W, Kagawa Y (2019) Spectral solvers for crystal plasticity and multi-physics simulations. Handbook of Mechanics of Materials, Springer, Berlin, 978–981
87.
go back to reference Wang Y, Sun D, Bai Y, Pang Z ( 2021) Study on grain size control technology of 304L austenitic stainless steel. In: Journal of physics: conference series. IOP Publishing, vol 2045, p 012023 Wang Y, Sun D, Bai Y, Pang Z ( 2021) Study on grain size control technology of 304L austenitic stainless steel. In: Journal of physics: conference series. IOP Publishing, vol 2045, p 012023
88.
go back to reference Hamza S, Boumerzoug Z, Helbert A-L, Bresset F, Baudin T (2019) Texture analysis of welded 304L pipeline steel. J Metals Mater Min 29(3) Hamza S, Boumerzoug Z, Helbert A-L, Bresset F, Baudin T (2019) Texture analysis of welded 304L pipeline steel. J Metals Mater Min 29(3)
89.
go back to reference Lu J, Becker A, Sun W, Tanner D (2014) Simulation of cyclic plastic behavior of 304L steel using the crystal plasticity finite element method. Procedia Mater Sci 3:135–140CrossRef Lu J, Becker A, Sun W, Tanner D (2014) Simulation of cyclic plastic behavior of 304L steel using the crystal plasticity finite element method. Procedia Mater Sci 3:135–140CrossRef
90.
go back to reference Lim H, Carroll J, Battaile CC, Buchheit T, Boyce B, Weinberger C (2014) Grain-scale experimental validation of crystal plasticity finite element simulations of tantalum oligocrystals. Int J Plast 60:1–18CrossRef Lim H, Carroll J, Battaile CC, Buchheit T, Boyce B, Weinberger C (2014) Grain-scale experimental validation of crystal plasticity finite element simulations of tantalum oligocrystals. Int J Plast 60:1–18CrossRef
91.
go back to reference Duesbery MA-S, Vitek V (1998) Plastic anisotropy in bcc transition metals. Acta Mater 46(5):1481–1492CrossRef Duesbery MA-S, Vitek V (1998) Plastic anisotropy in bcc transition metals. Acta Mater 46(5):1481–1492CrossRef
92.
go back to reference Wang G, Strachan A, Çağin T, GoddardIII WA (2004) Calculating the Peierls energy and Peierls stress from atomistic simulations of screw dislocation dynamics: application to bcc tantalum. Modell Simul Mater Sci Eng 12(4):371CrossRef Wang G, Strachan A, Çağin T, GoddardIII WA (2004) Calculating the Peierls energy and Peierls stress from atomistic simulations of screw dislocation dynamics: application to bcc tantalum. Modell Simul Mater Sci Eng 12(4):371CrossRef
93.
go back to reference Anglade P-M, Jomard G, Robert G, Zerah G (2005) Computation of the Peierls stress in tantalum with an extended-range modified embedded atom method potential. J Phys: Condens Matter 17(12):2003 Anglade P-M, Jomard G, Robert G, Zerah G (2005) Computation of the Peierls stress in tantalum with an extended-range modified embedded atom method potential. J Phys: Condens Matter 17(12):2003
94.
go back to reference Gludovatz B, George EP, Ritchie RO (2015) Processing, microstructure and mechanical properties of the CrMnFeCoNi high-entropy alloy. JOM 67(10):2262–2270CrossRef Gludovatz B, George EP, Ritchie RO (2015) Processing, microstructure and mechanical properties of the CrMnFeCoNi high-entropy alloy. JOM 67(10):2262–2270CrossRef
95.
go back to reference Laplanche G, Gadaud P, Bärsch C, Demtröder K, Reinhart C, Schreuer J, George E (2018) Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy. J Alloy Compd 746:244–255CrossRef Laplanche G, Gadaud P, Bärsch C, Demtröder K, Reinhart C, Schreuer J, George E (2018) Elastic moduli and thermal expansion coefficients of medium-entropy subsystems of the CrMnFeCoNi high-entropy alloy. J Alloy Compd 746:244–255CrossRef
96.
go back to reference Chen S, Oh HS, Gludovatz B, Kim SJ, Park ES, Zhang Z, Ritchie RO, Yu Q (2020) Real-time observations of TRIP-induced ultrahigh strain hardening in a dual-phase CrMnFeCoNi high-entropy alloy. Nat Commun 11(1):1–8 Chen S, Oh HS, Gludovatz B, Kim SJ, Park ES, Zhang Z, Ritchie RO, Yu Q (2020) Real-time observations of TRIP-induced ultrahigh strain hardening in a dual-phase CrMnFeCoNi high-entropy alloy. Nat Commun 11(1):1–8
97.
go back to reference Zeng Z, Xiang M, Zhang D, Shi J, Wang W, Tang X, Tang W, Wang Y, Ma X, Chen Z et al (2021) Mechanical properties of Cantor alloys driven by additional elements: a review. J Market Res 15:1920–1934 Zeng Z, Xiang M, Zhang D, Shi J, Wang W, Tang X, Tang W, Wang Y, Ma X, Chen Z et al (2021) Mechanical properties of Cantor alloys driven by additional elements: a review. J Market Res 15:1920–1934
98.
go back to reference Thurston KV, Gludovatz B, Hohenwarter A, Laplanche G, George EP, Ritchie RO (2017) Effect of temperature on the fatigue-crack growth behavior of the high-entropy alloy crmnfeconi. Intermetallics 88:65–72CrossRef Thurston KV, Gludovatz B, Hohenwarter A, Laplanche G, George EP, Ritchie RO (2017) Effect of temperature on the fatigue-crack growth behavior of the high-entropy alloy crmnfeconi. Intermetallics 88:65–72CrossRef
99.
go back to reference Chen S, Tseng K-K, Tong Y, Li W, Tsai C-W, Yeh J-W, Liaw PK (2019) Grain growth and Hall-Petch relationship in a refractory HfNbTaZrTi high-entropy alloy. J Alloy Compd 795:19–26CrossRef Chen S, Tseng K-K, Tong Y, Li W, Tsai C-W, Yeh J-W, Liaw PK (2019) Grain growth and Hall-Petch relationship in a refractory HfNbTaZrTi high-entropy alloy. J Alloy Compd 795:19–26CrossRef
100.
go back to reference Rackwitz J, Yu Q, Yang Y, Laplanche G, George EP, Minor AM, Ritchie RO (2020) Effects of cryogenic temperature and grain size on fatigue-crack propagation in the medium-entropy CrCoNi alloy. Acta Mater 200:351–365CrossRef Rackwitz J, Yu Q, Yang Y, Laplanche G, George EP, Minor AM, Ritchie RO (2020) Effects of cryogenic temperature and grain size on fatigue-crack propagation in the medium-entropy CrCoNi alloy. Acta Mater 200:351–365CrossRef
101.
go back to reference Tran A, Wildey T, Lim H (2022) Microstructure-sensitive uncertainty quantification for crystal plasticity finite element constitutive models using stochastic collocation method. Front Mater 9:1–20CrossRef Tran A, Wildey T, Lim H (2022) Microstructure-sensitive uncertainty quantification for crystal plasticity finite element constitutive models using stochastic collocation method. Front Mater 9:1–20CrossRef
102.
go back to reference Steinmetz DR, Jäpel T, Wietbrock B, Eisenlohr P, Gutierrez-Urrutia I, Saeed-Akbari A, Hickel T, Roters F, Raabe D (2013) Revealing the strain-hardening behavior of twinning-induced plasticity steels: theory, simulations, experiments. Acta Mater 61(2):494–510CrossRef Steinmetz DR, Jäpel T, Wietbrock B, Eisenlohr P, Gutierrez-Urrutia I, Saeed-Akbari A, Hickel T, Roters F, Raabe D (2013) Revealing the strain-hardening behavior of twinning-induced plasticity steels: theory, simulations, experiments. Acta Mater 61(2):494–510CrossRef
103.
go back to reference Hansen N, Ostermeier A (2001) Completely derandomized self-adaptation in evolution strategies. Evol Comput 9(2):159–195 Hansen N, Ostermeier A (2001) Completely derandomized self-adaptation in evolution strategies. Evol Comput 9(2):159–195
104.
go back to reference Hansen N, Müller SD, Koumoutsakos P (2003) Reducing the time complexity of the derandomized evolution strategy with covariance matrix adaptation (CMA-ES). Evol Comput 11(1):1–18CrossRef Hansen N, Müller SD, Koumoutsakos P (2003) Reducing the time complexity of the derandomized evolution strategy with covariance matrix adaptation (CMA-ES). Evol Comput 11(1):1–18CrossRef
105.
go back to reference Hansen N, Kern S (2004) Evaluating the CMA evolution strategy on multimodal test functions. In: International conference on parallel problem solving from nature. Springer, pp 282–291 Hansen N, Kern S (2004) Evaluating the CMA evolution strategy on multimodal test functions. In: International conference on parallel problem solving from nature. Springer, pp 282–291
106.
go back to reference Zhang W, Bostanabad R, Liang B, Su X, Zeng D, Bessa MA, Wang Y, Chen W, Cao J (2019) A numerical Bayesian-calibrated characterization method for multiscale prepreg preforming simulations with tension-shear coupling. Compos Sci Technol 170:15–24CrossRef Zhang W, Bostanabad R, Liang B, Su X, Zeng D, Bessa MA, Wang Y, Chen W, Cao J (2019) A numerical Bayesian-calibrated characterization method for multiscale prepreg preforming simulations with tension-shear coupling. Compos Sci Technol 170:15–24CrossRef
107.
go back to reference Kennedy MC, O’Hagan A (2000) Predicting the output from a complex computer code when fast approximations are available. Biometrika 87(1):1–13MathSciNetMATHCrossRef Kennedy MC, O’Hagan A (2000) Predicting the output from a complex computer code when fast approximations are available. Biometrika 87(1):1–13MathSciNetMATHCrossRef
108.
109.
go back to reference Tran A, Tranchida J, Wildey T, Thompson AP (2020) Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: application to ternary random alloys. J Chem Phys 153:074705CrossRef Tran A, Tranchida J, Wildey T, Thompson AP (2020) Multi-fidelity machine-learning with uncertainty quantification and Bayesian optimization for materials design: application to ternary random alloys. J Chem Phys 153:074705CrossRef
Metadata
Title
An asynchronous parallel high-throughput model calibration framework for crystal plasticity finite element constitutive models
Authors
Anh Tran
Hojun Lim
Publication date
12-04-2023
Publisher
Springer Berlin Heidelberg
Published in
Computational Mechanics / Issue 3/2023
Print ISSN: 0178-7675
Electronic ISSN: 1432-0924
DOI
https://doi.org/10.1007/s00466-023-02308-9

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