CALPHAD Uncertainty Quantification and TDBX

CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a M...

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Veröffentlicht in:	JOM (1989) Jg. 73; H. 1; S. 116 - 125
Hauptverfasser:	Lin, Yu, Saboo, Abhinav, Frey, Ramón, Sorkin, Sam, Gong, Jiadong, Olson, Gregory B., Li, Meng, Niu, Changning
Format:	Journal Article
Sprache:	Englisch
Veröffentlicht:	New York Springer US 01.01.2021 Springer Nature B.V
Schlagworte:	Algorithms Augmenting Physics-based Models in ICME with Machine Learning and Uncertainty Quantification Bayesian analysis Chemistry/Food Science Data points Design parameters Earth Sciences Engineering Enthalpy Environment Expected values Ground truth Hypothesis testing Markov analysis Markov chains Physics Software packages Solidification Source code Statistical inference Thermodynamics Uncertainty
ISSN:	1047-4838, 1543-1851
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Abstract	CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a Markov chain Monte Carlo algorithm to establish uncertainty traces with a given thermodynamic database file (TDB) and corresponding experimental data points. This general framework is demonstrated with the Ni–Cr binary system. The algorithm is firstly validated on synthetic data with known ground truth. Then it is applied to real experimental data to generate posterior traces. We develop a file format named TDBX, which provides a single source of truth by combining the original TDB content and the traces for each assessed Gibbs energy parameter. CALPHAD UQ calculations are performed based on the TDBX file, from which uncertainties for phase boundaries, enthalpy curves, and solidification range are collected as examples of basic design parameters. This TDBX file with corresponding scripts are made open-source. The combination of CALPHAD UQ assessments and calculations connected by TDBX supports uncertainty-assisted modeling, enabling the integrated application of modern design with uncertainty methodologies to computational materials design.
AbstractList	CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable CALPHAD UQ assessment and calculation using commercial CALPHAD software (Thermo-Calc). This Bayesian inference framework is coupled with a Markov chain Monte Carlo algorithm to establish uncertainty traces with a given thermodynamic database file (TDB) and corresponding experimental data points. This general framework is demonstrated with the Ni–Cr binary system. The algorithm is firstly validated on synthetic data with known ground truth. Then it is applied to real experimental data to generate posterior traces. We develop a file format named TDBX, which provides a single source of truth by combining the original TDB content and the traces for each assessed Gibbs energy parameter. CALPHAD UQ calculations are performed based on the TDBX file, from which uncertainties for phase boundaries, enthalpy curves, and solidification range are collected as examples of basic design parameters. This TDBX file with corresponding scripts are made open-source. The combination of CALPHAD UQ assessments and calculations connected by TDBX supports uncertainty-assisted modeling, enabling the integrated application of modern design with uncertainty methodologies to computational materials design.
Author	Sorkin, Sam Gong, Jiadong Li, Meng Lin, Yu Olson, Gregory B. Niu, Changning Frey, Ramón Saboo, Abhinav
Author_xml	– sequence: 1 givenname: Yu surname: Lin fullname: Lin, Yu organization: QuesTek Innovations LLC – sequence: 2 givenname: Abhinav surname: Saboo fullname: Saboo, Abhinav organization: QuesTek Innovations LLC – sequence: 3 givenname: Ramón surname: Frey fullname: Frey, Ramón organization: QuesTek Innovations LLC, ETH Zurich – sequence: 4 givenname: Sam surname: Sorkin fullname: Sorkin, Sam organization: QuesTek Innovations LLC – sequence: 5 givenname: Jiadong surname: Gong fullname: Gong, Jiadong organization: QuesTek Innovations LLC – sequence: 6 givenname: Gregory B. surname: Olson fullname: Olson, Gregory B. organization: QuesTek Innovations LLC – sequence: 7 givenname: Meng surname: Li fullname: Li, Meng organization: Department of Statistics, Rice University – sequence: 8 givenname: Changning orcidid: 0000-0002-9864-0553 surname: Niu fullname: Niu, Changning email: cniu@questek.com organization: QuesTek Innovations LLC
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Cites_doi	10.1007/s004100050444 10.1557/mrc.2019.59 10.1038/s41598-017-05463-1 10.1201/b16018 10.1016/j.calphad.2019.101728 10.1016/0364-5916(91)90027-H 10.1126/science.277.5330.1237 10.2140/camcos.2010.5.65 10.1016/j.calphad.2016.10.003 10.7449/2008/Superalloys_2008_923_932 10.1093/biomet/57.1.97 10.1007/s11837-017-2318-6 10.1016/j.calphad.2016.09.006 10.1063/1.1699114 10.1016/j.actamat.2018.11.007 10.1016/j.calphad.2003.11.002 10.1086/670067 10.1016/j.ijengsci.2019.05.011 10.1080/03052150701742201 10.1016/j.actamat.2019.05.017 10.1016/S0364-5916(97)00039-4 10.1093/biomet/asz066 10.1016/j.scriptamat.2017.10.027 10.5334/jors.140
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References	ChatterjeeNDMillerKOlbrichtWPhys. Chem. Min.1994211–250 ChatterjeeNDKrügerRHallerGOlbrichtWContrib. Mineral. Petrol.19981331–214910.1007/s004100050444 OtisRALiuZKJOM201769588610.1007/s11837-017-2318-6 DunsonDBJohndrowJEBiometrika202010711406413710.1093/biomet/asz066 PaulsonNHBocklundBJOtisRALiuZKStanMActa Mater.2019174910.1016/j.actamat.2019.05.017 J.E. Saal, I.S. Berglund, J.T. Sebastian, P.K. Liaw, and G.B. Olson, Scripta Mater.146, 5 (2018). https://doi.org/10.1016/j.scriptamat.2017.10.027. http://www.sciencedirect.com/science/article/pii/S1359646217306231. HonarmandiPDuongTCGhoreishiSFAllaireDArroyaveRActa Mater.201916463610.1016/j.actamat.2018.11.007 Foreman-MackeyDHoggDWLangDGoodmanJPubl. Astron. Soc. Pac.201312592530610.1086/670067 G.B. Olson, H.J. Jou, J. Jung, J. Sebastian, A. Misra, I. Locci, and D.R. Hull, Superalloys pp. 923–932 (2008). BocklundBOtisREgorovAObaiedARoslyakovaILiuZKMRS Commun.2019961810.1557/mrc.2019.59 GoodmanJWeareJCommun. Appl. Math. Comput. Sci.20105165260082210.2140/camcos.2010.5.65 DuongTCTalapatraASonWRadovicMArróyaveRScientific Reports201771110.1038/s41598-017-05463-1 G.B. Olson, Science277(5330), 1237 (1997). https://doi.org/10.1126/science.277.5330.1237. https://science.sciencemag.org/content/277/5330/1237. StanMReardonBCalphad200327331910.1016/j.calphad.2003.11.002 OlbrichtWChatterjeeNDMillerKPhys. Chem. Min.1994211–236 MetropolisNRosenbluthARosenbluthMTellerATellerEJ. Chem. Phys.1953216108710.1063/1.1699114 F. Tang and B. Hallstedt, Calphad55, 260 (2016). https://doi.org/10.1016/j.calphad.2016.10.003. http://www.sciencedirect.com/science/article/pii/S0364591616301638. HastingsWKBiometrika197057197336343710.1093/biomet/57.1.97 https://github.com/questek/qt-tdbx-demo. Accessed 5 Oct 2020. KönigsbergerECalphad19911516910.1016/0364-5916(91)90027-H DuongTCHackenbergRELandaAHonarmandiPTalapatraAVolzHMLlobetASmithAIKingGBajajSCalphad20165521923010.1016/j.calphad.2016.09.006 ChoiHJMcdowellDLAllenJKMistreeFEng. Optim.200840428710.1080/03052150701742201 R. Otis and Z.K. Liu, J. Open Res. Softw. 1 (2016). https://doi.org/10.5334/jors.140. GelmanACarlinJSternHSDunsonDBVehtariARubinDBBayesian Data Analysis20133Boca RatonCRC Press10.1201/b16018 MalakhovDVCalphad1997213391147552810.1016/S0364-5916(97)00039-4 PaulsonNHJenningsEStanMInt. J. Eng. Sci.20191427410.1016/j.ijengsci.2019.05.011 PaulsonNHZomorodpooshSRoslyakovaIStanMCalphad20206810172810.1016/j.calphad.2019.101728 W Olbricht (4405_CR4) 1994; 21 TC Duong (4405_CR8) 2016; 55 RA Otis (4405_CR12) 2017; 69 NH Paulson (4405_CR14) 2019; 174 M Stan (4405_CR7) 2003; 27 4405_CR16 4405_CR17 WK Hastings (4405_CR20) 1970; 57 A Gelman (4405_CR18) 2013 NH Paulson (4405_CR13) 2019; 142 ND Chatterjee (4405_CR6) 1998; 133 ND Chatterjee (4405_CR5) 1994; 21 P Honarmandi (4405_CR10) 2019; 164 4405_CR1 J Goodman (4405_CR22) 2010; 5 E Königsberger (4405_CR3) 1991; 15 DB Dunson (4405_CR21) 2020; 107 TC Duong (4405_CR9) 2017; 7 HJ Choi (4405_CR27) 2008; 40 4405_CR24 4405_CR25 4405_CR26 B Bocklund (4405_CR11) 2019; 9 NH Paulson (4405_CR15) 2020; 68 N Metropolis (4405_CR19) 1953; 21 DV Malakhov (4405_CR2) 1997; 21 D Foreman-Mackey (4405_CR23) 2013; 125
References_xml	– reference: BocklundBOtisREgorovAObaiedARoslyakovaILiuZKMRS Commun.2019961810.1557/mrc.2019.59 – reference: PaulsonNHBocklundBJOtisRALiuZKStanMActa Mater.2019174910.1016/j.actamat.2019.05.017 – reference: J.E. Saal, I.S. Berglund, J.T. Sebastian, P.K. Liaw, and G.B. Olson, Scripta Mater.146, 5 (2018). https://doi.org/10.1016/j.scriptamat.2017.10.027. http://www.sciencedirect.com/science/article/pii/S1359646217306231. – reference: OtisRALiuZKJOM201769588610.1007/s11837-017-2318-6 – reference: PaulsonNHJenningsEStanMInt. J. Eng. Sci.20191427410.1016/j.ijengsci.2019.05.011 – reference: Foreman-MackeyDHoggDWLangDGoodmanJPubl. Astron. Soc. Pac.201312592530610.1086/670067 – reference: DuongTCTalapatraASonWRadovicMArróyaveRScientific Reports201771110.1038/s41598-017-05463-1 – reference: DuongTCHackenbergRELandaAHonarmandiPTalapatraAVolzHMLlobetASmithAIKingGBajajSCalphad20165521923010.1016/j.calphad.2016.09.006 – reference: PaulsonNHZomorodpooshSRoslyakovaIStanMCalphad20206810172810.1016/j.calphad.2019.101728 – reference: HonarmandiPDuongTCGhoreishiSFAllaireDArroyaveRActa Mater.201916463610.1016/j.actamat.2018.11.007 – reference: F. Tang and B. Hallstedt, Calphad55, 260 (2016). https://doi.org/10.1016/j.calphad.2016.10.003. http://www.sciencedirect.com/science/article/pii/S0364591616301638. – reference: StanMReardonBCalphad200327331910.1016/j.calphad.2003.11.002 – reference: ChatterjeeNDKrügerRHallerGOlbrichtWContrib. Mineral. Petrol.19981331–214910.1007/s004100050444 – reference: KönigsbergerECalphad19911516910.1016/0364-5916(91)90027-H – reference: ChatterjeeNDMillerKOlbrichtWPhys. Chem. Min.1994211–250 – reference: G.B. Olson, H.J. Jou, J. Jung, J. Sebastian, A. Misra, I. Locci, and D.R. Hull, Superalloys pp. 923–932 (2008). – reference: ChoiHJMcdowellDLAllenJKMistreeFEng. Optim.200840428710.1080/03052150701742201 – reference: R. Otis and Z.K. Liu, J. Open Res. Softw. 1 (2016). https://doi.org/10.5334/jors.140. – reference: GelmanACarlinJSternHSDunsonDBVehtariARubinDBBayesian Data Analysis20133Boca RatonCRC Press10.1201/b16018 – reference: MalakhovDVCalphad1997213391147552810.1016/S0364-5916(97)00039-4 – reference: https://github.com/questek/qt-tdbx-demo. Accessed 5 Oct 2020. – reference: HastingsWKBiometrika197057197336343710.1093/biomet/57.1.97 – reference: GoodmanJWeareJCommun. Appl. Math. Comput. Sci.20105165260082210.2140/camcos.2010.5.65 – reference: G.B. Olson, Science277(5330), 1237 (1997). https://doi.org/10.1126/science.277.5330.1237. https://science.sciencemag.org/content/277/5330/1237. – reference: DunsonDBJohndrowJEBiometrika202010711406413710.1093/biomet/asz066 – reference: OlbrichtWChatterjeeNDMillerKPhys. Chem. Min.1994211–236 – reference: MetropolisNRosenbluthARosenbluthMTellerATellerEJ. Chem. Phys.1953216108710.1063/1.1699114 – volume: 21 start-page: 50 issue: 1–2 year: 1994 ident: 4405_CR5 publication-title: Phys. Chem. Min. – volume: 133 start-page: 149 issue: 1–2 year: 1998 ident: 4405_CR6 publication-title: Contrib. Mineral. Petrol. doi: 10.1007/s004100050444 – volume: 9 start-page: 618 year: 2019 ident: 4405_CR11 publication-title: MRS Commun. doi: 10.1557/mrc.2019.59 – volume: 7 start-page: 1 issue: 1 year: 2017 ident: 4405_CR9 publication-title: Scientific Reports doi: 10.1038/s41598-017-05463-1 – volume-title: Bayesian Data Analysis year: 2013 ident: 4405_CR18 doi: 10.1201/b16018 – volume: 68 start-page: 101728 year: 2020 ident: 4405_CR15 publication-title: Calphad doi: 10.1016/j.calphad.2019.101728 – volume: 15 start-page: 69 issue: 1 year: 1991 ident: 4405_CR3 publication-title: Calphad doi: 10.1016/0364-5916(91)90027-H – ident: 4405_CR1 doi: 10.1126/science.277.5330.1237 – volume: 5 start-page: 65 issue: 1 year: 2010 ident: 4405_CR22 publication-title: Commun. Appl. Math. Comput. Sci. doi: 10.2140/camcos.2010.5.65 – ident: 4405_CR25 doi: 10.1016/j.calphad.2016.10.003 – ident: 4405_CR17 doi: 10.7449/2008/Superalloys_2008_923_932 – volume: 57 start-page: 97 issue: 1 year: 1970 ident: 4405_CR20 publication-title: Biometrika doi: 10.1093/biomet/57.1.97 – volume: 21 start-page: 36 issue: 1–2 year: 1994 ident: 4405_CR4 publication-title: Phys. Chem. Min. – volume: 69 start-page: 886 issue: 5 year: 2017 ident: 4405_CR12 publication-title: JOM doi: 10.1007/s11837-017-2318-6 – volume: 55 start-page: 219 year: 2016 ident: 4405_CR8 publication-title: Calphad doi: 10.1016/j.calphad.2016.09.006 – volume: 21 start-page: 1087 issue: 6 year: 1953 ident: 4405_CR19 publication-title: J. Chem. Phys. doi: 10.1063/1.1699114 – volume: 164 start-page: 636 year: 2019 ident: 4405_CR10 publication-title: Acta Mater. doi: 10.1016/j.actamat.2018.11.007 – volume: 27 start-page: 319 issue: 3 year: 2003 ident: 4405_CR7 publication-title: Calphad doi: 10.1016/j.calphad.2003.11.002 – volume: 125 start-page: 306 issue: 925 year: 2013 ident: 4405_CR23 publication-title: Publ. Astron. Soc. Pac. doi: 10.1086/670067 – volume: 142 start-page: 74 year: 2019 ident: 4405_CR13 publication-title: Int. J. Eng. Sci. doi: 10.1016/j.ijengsci.2019.05.011 – volume: 40 start-page: 287 issue: 4 year: 2008 ident: 4405_CR27 publication-title: Eng. Optim. doi: 10.1080/03052150701742201 – volume: 174 start-page: 9 year: 2019 ident: 4405_CR14 publication-title: Acta Mater. doi: 10.1016/j.actamat.2019.05.017 – volume: 21 start-page: 391 issue: 3 year: 1997 ident: 4405_CR2 publication-title: Calphad doi: 10.1016/S0364-5916(97)00039-4 – volume: 107 start-page: 1 issue: 1 year: 2020 ident: 4405_CR21 publication-title: Biometrika doi: 10.1093/biomet/asz066 – ident: 4405_CR26 doi: 10.1016/j.scriptamat.2017.10.027 – ident: 4405_CR24 – ident: 4405_CR16 doi: 10.5334/jors.140
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Snippet	CALPHAD uncertainty quantification (UQ) is the foundation of materials design with quantified confidence. We report a framework and software packages to enable...
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SubjectTerms	Algorithms Augmenting Physics-based Models in ICME with Machine Learning and Uncertainty Quantification Bayesian analysis Chemistry/Food Science Data points Design parameters Earth Sciences Engineering Enthalpy Environment Expected values Ground truth Hypothesis testing Markov analysis Markov chains Physics Software packages Solidification Source code Statistical inference Thermodynamics Uncertainty
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Title	CALPHAD Uncertainty Quantification and TDBX
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