Part I: Theoretical predictions of preferential oxidation in refractory high entropy materials
作者： Lavina Backman , Joshua Gild , Jian Luo , Elizabeth J. Opila
DOI: 10.1016/J.ACTAMAT.2020.07.003
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摘要: High entropy materials, which include high entropy alloys, carbides, and borides, are a topic of substantial research interest due to the possibility of a large number of new material compositions that could fill gaps in application needs. There is a current need for materials exhibiting high temperature stability, particularly oxidation resistance. A systematic understanding of the oxidation behavior in high entropy materials is therefore required. Prior work notes large differences in the thermodynamic favorability between oxides formed upon …
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M. Simnad, Aija Spilners, Kinetics and Mechanism of the Oxidation of Molybdenum JOM. ,vol. 7, pp. 1011- 1016 ,(1955) , 10.1007/BF03377603
YoungSoo Park, Darryl P. Butt, Composition dependence of the kinetics and mechanisms of thermal oxidation of titanium-tantalum alloys Oxidation of Metals. ,vol. 51, pp. 383- 402 ,(1999) , 10.1023/A:1018883009343
David R. Gaskell, Introduction to the Thermodynamics of Materials ,(2014)
Ž. D. Živković, J. Šesták, Kinetics and Mechanism of the Oxidation of Molybdenum Sulphide Journal of Thermal Analysis and Calorimetry. ,vol. 53, pp. 263- 267 ,(1998) , 10.1023/A:1010108813595
S. S. Brenner, Catastrophic Oxidation of Some Molybdenum‐Containing Alloys Journal of The Electrochemical Society. ,vol. 102, pp. 16- 21 ,(1955) , 10.1149/1.2429980
Geoffroy Hautier, Christopher C. Fischer, Anubhav Jain, Tim Mueller, Gerbrand Ceder, Finding Nature’s Missing Ternary Oxide Compounds Using Machine Learning and Density Functional Theory Chemistry of Materials. ,vol. 22, pp. 3762- 3767 ,(2010) , 10.1021/CM100795D
K.T. Jacob, Chander Shekhar, Y. Waseda, An update on the thermodynamics of Ta2O5 The Journal of Chemical Thermodynamics. ,vol. 41, pp. 748- 753 ,(2009) , 10.1016/J.JCT.2008.12.006
Anubhav Jain, Shyue Ping Ong, Geoffroy Hautier, Wei Chen, William Davidson Richards, Stephen Dacek, Shreyas Cholia, Dan Gunter, David Skinner, Gerbrand Ceder, Kristin A Persson, None, Commentary: The Materials Project: A materials genome approach to accelerating materials innovation APL Materials. ,vol. 1, pp. 011002- 011002 ,(2013) , 10.1063/1.4812323
M. R. Ranade, A. Navrotsky, H. Z. Zhang, J. F. Banfield, S. H. Elder, A. Zaban, P. H. Borse, S. K. Kulkarni, G. S. Doran, H. J. Whitfield, Energetics of nanocrystalline TiO2 Proceedings of the National Academy of Sciences of the United States of America. ,vol. 99, pp. 6476- 6481 ,(2002) , 10.1073/PNAS.251534898
C.W. Bale, E. Bélisle, P. Chartrand, S.A. Decterov, G. Eriksson, K. Hack, I.-H. Jung, Y.-B. Kang, J. Melançon, A.D. Pelton, C. Robelin, S. Petersen, FactSage thermochemical software and databases - recent developments Calphad-computer Coupling of Phase Diagrams and Thermochemistry. ,vol. 33, pp. 295- 311 ,(2009) , 10.1016/J.CALPHAD.2008.09.009