TY - JOUR
T1 - Thermodynamic re-assessment of pure chromium using modified segmented regression model
AU - Obaied, A.
AU - Bocklund, B.
AU - Zomorodpoosh, S.
AU - Zhang, L.
AU - Otis, R.
AU - Liu, Zi Kui
AU - Roslyakova, I.
N1 - Funding Information:
A. Obaied acknowledges funding from IMPRS-SurMat. B. Bocklund was supported by a NASA Space Technology Research Fellowship (grant number 80NSSC18K1168 ). Zi-Kui Liu is partially supported by National Science Foundation (Grant CMMI-1825538 ) and Office of Naval Research (Grant N00014-17-1-2567 ). This work has also been supported by the Collaborative Research Center Superalloys Single Crystal ( SFB TR-103 project C6) of the German Research Foundation (DFG) and the Sino-German Collaboration Group. A part of the research was carried out at the Jet Propulsion Laboratory, California Institute of Technology, under a contract with the National Aeronautics and Space Administration.
Publisher Copyright:
© 2020 Elsevier Ltd
PY - 2020/6
Y1 - 2020/6
N2 - Chromium is considered an essential addition element in multiple industrial applications. Therefore, obtaining an accurate and robust description of its properties is important. Recently, several attempts were made to improve the thermodynamic description of pure elements and binary systems in the frame of the third generation CALPHAD databases. Moreover, it became increasingly important to develop mathematical tools that can allow researchers more access to each phase of the material over the entire temperature range. Thus, the recently proposed segmented regression model was modified using the so-called sigmoid function for the case of pure Cr. A comprehensive analysis of phase equilibria and thermodynamic properties of pure Cr was used to develop an updated unary description from 0 K to 6000 K using the proposed modified segmented regression (MSR) model. In addition, two newly developed machine learning tools were utilized to analyze the datasets used in this assessment to determine any possible outliers.
AB - Chromium is considered an essential addition element in multiple industrial applications. Therefore, obtaining an accurate and robust description of its properties is important. Recently, several attempts were made to improve the thermodynamic description of pure elements and binary systems in the frame of the third generation CALPHAD databases. Moreover, it became increasingly important to develop mathematical tools that can allow researchers more access to each phase of the material over the entire temperature range. Thus, the recently proposed segmented regression model was modified using the so-called sigmoid function for the case of pure Cr. A comprehensive analysis of phase equilibria and thermodynamic properties of pure Cr was used to develop an updated unary description from 0 K to 6000 K using the proposed modified segmented regression (MSR) model. In addition, two newly developed machine learning tools were utilized to analyze the datasets used in this assessment to determine any possible outliers.
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U2 - 10.1016/j.calphad.2020.101762
DO - 10.1016/j.calphad.2020.101762
M3 - Article
AN - SCOPUS:85082589578
SN - 0364-5916
VL - 69
JO - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
JF - Calphad: Computer Coupling of Phase Diagrams and Thermochemistry
M1 - 101762
ER -