Thermodynamic modeling of the Hf-N system
Abstract
Hf-N based alloys have been widely used and studied in the fields of electronic devices and cutting tools industry. A thermodynamic description of this system is essential for further development of these alloys. By means of CALPHAD method, thermodynamic modeling of the Hf-N system was carried out based on the available phase diagram data as well as thermodynamic property data. The Fcc phase is modeled as (Hf, Va)1(N, Va)1 to cover the composition range since the solubility of nitrogen in Fcc phase is reported up to about 52 at.%. A set of self-consistent thermodynamic parameters for the Hf-N system has been obtained. The computed phase diagrams and thermodynamic quantities using the present parameters agree well with the experimental data.
References
S. Dong, X. Chen, X. Zhang, G. Cui, Coord. Chem. Rev., 257 (2013) 1946-1956.
J. Musil, Surf. Coat. Technol., 125 (2000) 322-330.
A.E. Kaloyeros, E. Eisenbraun, Annu. Rev. Mater. Sci., 30 (2000) 363-385.
S.-H. Jhi, J. Ihm, S.G. Louie, M.L. Cohent, Nature (London), 399 (1999) 132-134.
L. Tsetseris, N. Kalfagiannis, S. Logothetidis, S.T. Pantelides, Phys. Rev. B: Condens. Matter Mater. Phys., 76 (2007) 224107/224101-224107/224107.
A.J. Perry, J. Vac. Sci. Technol., A, 6 (1988) 2140-2148.
L. Tsetseris, N. Kalfagiannis, S. Logothetidis, S.T. Pantelides, Phys Rev Lett, 99 (2007) 125503.
P. Kroll, Phys. Rev. Lett., 90 (2003) 125501/125501-125501/125504.
X.-G. Lu, M. Selleby, B. Sundman, Acta Mater., 55 (2007) 1215-1226.
Z. Gu, C. Hu, H. Huang, S. Zhang, X. Fan, X. Wang, W. Zheng, Acta Mater., 90 (2015) 59-68.
W. Wei, H. Wang, Y.H. Hu, J. Mater. Chem. A, 1 (2013) 14350-14357.
R.A. Araujo, X. Zhang, H. Wang, J. Vac. Sci. Technol., B: Microelectron. Nanometer Struct.--Process., Meas., Phenom., 26 (2008) 1871-1874.
M.H. Staia, D.G. Bhat, E.S. Puchi-Cabrera, J. Bost, Wear, 261 (2006) 540-548.
C. Escobar, M. Villarreal, J.C. Caicedo, W. Aperador, P. Prieto, Surf. Coat. Technol., 221 (2013) 182-190.
B. Saha, J. Acharya, T.D. Sands, U.V. Waghmare, J. Appl. Phys., 107 (2010) 033715/033711-033715/033718.
L.-Q. Chen, J. Zhu, Y.-J. Hao, L. Zhang, G. Xiang, B.-R. Yu, X.-J. Long, J. Phys. Chem. Solids, 75 (2014) 1295-1300.
E. Wuchina, M. Opeka, F. Gutierrez-Mora, R.E. Koritala, K.C. Goretta, J.L. Routbort, J. Eur. Ceram. Soc., 22 (2002) 2571-2576.
Y. Peng, Y. Du, P. Zhou, W. Zhang, W. Chen, L. Chen, S. Wang, G. Wen, W. Xie, International Journal of Refractory Metals & Hard Materials, 42 (2014) 57-70.
H. Okamoto, Bulletin of Alloy Phase Diagrams, 11 (1990) 146-149.
W. Lengauer, D. Rafaja, G. Zehetner, P. Ettmayer, Acta Mater., 44 (1996) 3331-3338.
N.H. Krikorian, T.C. Wallace, J. Electrochem. Soc., 111 (1964) 1431-1433.
P.H. Booker, C.E. Brukl, Rep. USAF Contract AF-33, (615)-67-C-1513, Part VI, (October 1969).
E. Rudy, F. Benesovsky, Monatshefte für Chemie und verwandte Teile anderer Wissenschaften, 92 (1961) 415-441.
H. Nowotny, H. Braun, F. Benesovsky, Radex Rundsch., (1960) 367-372.
M.A. Eron'yan, R.G. Avarbe, I.N. Danisina, Teplofiz. Vys. Temp., 14 (1976) 398-399.
P. Ettmayer, R. Kieffer, F. Hattinger, Metall (Berlin), 28 (1974) 1151-1156.
S. Jonsson, Z. Metallkd., 87 (1996) 691-702.
Y. Du, R. Schmid-Fetzer, H. Ohtani, Z. Metallkd., 88 (1997) 545-556.
E.K. Storms, U. S. A. E. C., LA-2942 (1964) 245.
E. Rudy, Met. Trans., 1 (1970) 1249-1252.
M. Billy, B. Teyssedre, Bull. Soc. Chim. Fr., (1973) 1537-1540.
H.L. Schick, Editor, Thermodynamics of Certain Refractory Compounds. Vol. 2: Thermodynamic Tables, Bibliography, and Property File, Academic Press, London, 1966.
W. Lengauer, S. Binder, K. Aigner, P. Ettmayer, A. Guillou, J. Debuigne, G. Groboth, J. Alloys Compd., 217 (1995) 137-147.
A. Wang, S. Shang, D. Zhao, J. Wang, L. Chen, Y. Du, Z.-K. Liu, T. Xu, S. Wang, Calphad, 37 (2012) 126-131.
V.F. Litvinenko, A.S. Bolgar, O.P. Kulik, O.T. Khorpyakov, Zh. Fiz. Khim., 53 (1979) 318-321.
G.M. Kibler, T.F. Lyon, M.J. Linevsky, V.J. DeSantis, Rep. Contract AF-33, (616)-6841, Part III, (March 1964).
G.M. Kibler, T.F. Lyon, M.J. Linevsky, V.J. DeSantis, Rep. Contract AF-33, (616)-6841, Part IV, (August 1964).
G.L. Humphrey, J. Am. Chem. Soc., 75 (1953) 2806-2807.
A.M. Mulokozi, J. Less-Common Met., 79 (1981) 139-143.
A.T. Dinsdale, CALPHAD: Comput. Coupling Phase Diagrams Thermochem., 15 (1991) 317-425.
O. Redlich, A.T. Kister, Ind. Eng. Chem., 40 (1948) 84,85-88.
M.E. Straumanis, C.A. Faunce, Z. Anorg. Allg. Chem., 353 (1967) 329-336.
S.S. Database, Thermo-calc Company, (2008).
B. Sundman, B. Jansson, J.O. Andersson, CALPHAD: Comput. Coupling Phase Diagrams Thermochem., 9 (1985) 153-190.
H. King, Bulletin of alloy phase diagrams, 2 (1981) 401-402.
R.G. Ross, W. Hume-Rothery, J. Less-Common Met., 5 (1963) 258-270.
A.N. Christensen, Acta Chem. Scand., 44 (1990) 851-852.
Authors retain copyright of the published papers and grant to the publisher the non-exclusive right to publish the article, to be cited as its original publisher in case of reuse, and to distribute it in all forms and media.
The Author(s) warrant that their manuscript is their original work that has not been published before; that it is not under consideration for publication elsewhere; and that its publication has been approved by all co-authors, if any, as well as tacitly or explicitly by the responsible authorities at the institution where the work was carried out. The Author(s) affirm that the article contains no unfounded or unlawful statements and does not violate the rights of others. The author(s) also affirm that they hold no conflict of interest that may affect the integrity of the Manuscript and the validity of the findings presented in it. The Corresponding author, as the signing author, warrants that he/she has full power to make this grant on behalf of the Author(s). Any software contained in the Supplemental Materials is free from viruses, contaminants or worms.The published articles will be distributed under the Creative Commons Attribution ShareAlike 4.0 International license (CC BY-SA).
Authors are permitted to deposit publisher's version (PDF) of their work in an institutional repository, subject-based repository, author's personal website (including social networking sites, such as ResearchGate, Academia.edu, etc.), and/or departmental website at any time after publication.
Upon receiving the proofs, the Author(s) agree to promptly check the proofs carefully, correct any typographical errors, and authorize the publication of the corrected proofs.
The Corresponding author agrees to inform his/her co-authors, of any of the above terms.