Abstract
Based on the data of the literature reports, the Al–Zr binary system has been re-assessed thermodynamically through the CALPHAD (CALculations of PHAse Diagram) approach using Thermo-Calc software. The Redlich–Kister polynomials as well as the exponential temperature dependence model of Kaptay were used to describe the excess Gibbs energy of the liquid phase and the three terminal solid solutions: fcc_A1 (Al), bcc_A2 (βZr), and hcp_A3 (αZr). Additionally, the ten Al–Zr intermetallic compounds were treated as strict stoichiometric compounds. Finally, the comparison between the experimental and the two calculated phase diagrams, as well as the generated thermodynamic parameters, was critically discussed.
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Smallman RE, Ngan AHW. Modern physical metallurgy. 8th ed. New York: Butterworth-Heinemann; 2014.
Forbord B, Mathiesen RH, Mårdalen J, Furu T, Lange HI. J Mater Sci Eng. 2008;479A:313–23.
Kaneko S, Murakami K, Sakai T. J Mater Sci Eng. 2009;500A:8–15.
McCullough C. Thermal aging behavior and lifetime modeling for aluminum zirconium alloy used in ACCR. In: 3M Company Technical Information; 2006.
Edris A. High-temperature, low-sag transmission conductors. Palo-Alto: Technical Report EPRI; 2002.
Cadırlı E, Tecer H, Sahin M, Yılmaz E, Kırındı T, Gunduz M. Effect of heat treatments on the microhardness and tensile strength of Al–0.25 wt% Zr alloy. J Alloys Compd. 2015;632:229–37.
Yang F, Peng L, Okazaki K. Microindentation of aluminum. J Metall Mater Trans. 2004;A35:3323–8.
Karakose E, Karaaslan T, Keskin M, Uzun O. Microstructural evolution and microhardness of a melt-spun Al–6Ni–2Cu–1Si (in wt.%) alloy. J Mater Process Technol. 2008;195:58–62.
Knipling KE, Dunand DC, Seidman DN. Criteria for developing castable, creep-resistant aluminum-based alloys—a review. Z Metallkd. 2006;97:246–65.
Knipling KE, Karnesky RA, Lee CP, Dunand DC, Seidman DN. Precipitation evolution in Al–0.1 Sc, Al–0.1 Zr and Al–0.1 Sc–0.1 Zr (at.%) alloys during isochronal aging. J Acta Mater. 2010;58:5184–95.
Laik A, Bhanumurthy K, Kale GB. Intermetallics. 2004;12:69–74.
Janghorban A, Zdziobek AA, Tafin ML, Antion C, Mazingue T, Pisch A. Phase equilibria in the aluminium-rich side of the Al–Zr system. J Therm Anal Calorim. 2013;112:1015–20.
Fink WL, Willey LA. Equilibrium relation in Al–Zr alloys. Met Technol. 1939;1:69–80.
McPherson DJ, Hansen M. The system Zr–Al. Trans ASM. 1954;46:354–74.
Potzschke M, Schubert K. On the construction of some T4-B 3 homologous and quasihomologous systems. II. The Ti-A1, Zr-Al, Hf-A1, Mo-A1 and some ternary systems. Z Metallkd. 1962;53:548–61.
Wilson CG. The crystal structure of ZrAl2. Acta Crystallogr. 1959;12:660–2.
Wilson CG, Thomas DIC, Spooner FJ. The crystal structure of Zr4Al3. Acta Crystallogr. 1960;13:56–7.
Schuster C, Bauer J, Debuigne J. Investigation of phase equilibria related to fusion materials: I. The ternary system Zr-Al-Nn. J Nucl Mater. 1983;116:131–5.
Kematick RJ. High temperature thermodynamics of the zirconium–aluminum system. Ph.D. Thesis. Iowa State University IS-T-1148 DE85 009230; 1985.
Edshammar LE. J Acta Chem Scand. 1960;20:16.
Schulson EM, Graham DB. The peritectoid formation of ordered Zr3Al. Acta Metal. 1976;24:615–25.
Schulson EM. Further observations of the peritectoid transformation Zr + Zr2Al → Zr3Al. Metall Trans A. 1980;11:1918–20.
Ohashi T, Ichikawa R. A new metastable phase in rapidly solidified Al–Zr alloys. Metall Trans. 1972;3:2300–2.
Hu Z, Zhan Y, She J, Du Y, Xu H. Phase equilibria in the Al–Zr–Ce system at 773 K. J Alloys Compd. 2010;491:200–2.
She J, Zhan Y, Hu Z, Li C, Hu J, Du Y, Xu H. Experimental study of Al–Zr–Y system phase equilibria at 773K. J Alloys Compd. 2010;497:118–20.
Massalski TB, Okamoto H, Subramanian PR, Kacprzak L. Binary Alloy Phase Diagrams. 2nd ed. Materials Park: ASM International; 1990.
Tiwari SN, Tangri K. J Nucl Mater. 1970;34:92–6.
Murray J, Peruzzi A, Abriata JP. J Phase Equilib Diffus. 1992;13:277–91.
Kematick RJ, Franzen HF. J Solid State Chem. 1984;54:226–34.
Schulson EM, McColl DH, Ling VC. Report AECL-5176, Atomic Energy of Canada Limited, Chalk River Laboratories, Chalk River, Canada.
Chiotti P, Woerner PF. Metal hydride reactions: I. Reaction of hydrogen with solutes in liquid metal solvents. J Less Common Met. 1964;7:111–9.
Glazov VM, Lazarev G, Korolkov N. The solubility of certain transition metals in aluminium. Met Term Obrab Met. 1959;10:48–50.
Drits ME, Kadaner ES, Kuz’mina VL. Solubility of silicon and zirconium in aluminium. Izv Akad Nauk. 1968;1:102–5.
Kuznetsov GM, Barsukov AD, Abas MI. Solubility of Mn, Cr, Ti and Zr in Al in the solid state. Sov Non Ferrous Met Res. 1983;11:47–51.
Peruzzi A. J Nucl Mater. 1992;186:89–99.
Okamoto H. J Phase Equilibria. 1993;14:548–60.
Dezellus O, Gardiola B, Andrieux J. On the Solubility of Group IV Elements (Ti, Zr, Hf) in Liquid Aluminum below 800 & #xB0;C. J Phase Equilib. 2014;35:120–6.
Schneider A, Klotz H, Stendel J, Strauss G. On the thermochemistry of alloys. Pure Appl Chem. 1961;2:13–6.
Klein R, Jacob I, O’Hare PAG, Goldberg RN. J Chem Thermodyn. 1994;26:599–608.
Meschel SV, Kleppa OJ. J Alloy Compd. 1993;191:111–6.
Esin YO, Serebrennikov NN, Pletneva ED, Kapustkin VK. Izv Vyssh Ucheb Zaved Chern Metall. 1987;10:1–3.
Kubaschewski O. Zirconium-physico-chemical properties of its compounds and alloys. Vienna: International Atomic Energy Agency; 1976. p. 268.
De Boer FR, Boom R, Mattens WC. M, Miedema AR, Niessen AK. Cohesion in Metals: Transition Metal Alloys. North Holland. Amsterdam; 1988.
Mahdouk K, Gachon JC, Bouirden L. Enthalpies of formation of the Al-Nb intermetallic compounds. J Alloys Compd. 1998;268:118–21.
Nassik M, Chrifi-Alaoui FZ, Mahdouk K, Gachon JC. Calorimetric study of the aluminium–titanium system. J Alloys Compd. 2003;350:151–4.
Meschel S, Kleppa O. The standard enthalpies of formation of some 3d transition metal aluminides by high-temperature direct synthesis calorimetry. In: Faulkner JS, Jordan RG, editors. Metallic alloys. Dordrecht: Kluwer; 1994. p. 103–12.
Esin YO, Bobrov NP, Petrushevski MS, Gel’d PV. Akad Nauk SSSR Met. 1974;5:104–9.
V.S. Sudavtsova, G.I. Batalin, V.S. Tutevich, Izv. Akad. Nauk SSSR Met. 1985;5:185–87.
Witusiewicz V, Stolz UK, Arpshofen I, Sommer F. Z Metallkd. 1998;89:704–13.
Sudavtsova VS, Podoprigora NV. Thermodynamic properties of melts in Al–Ti (Zr, Hf) binary systems. J Powder Metall Met Ceram. 2009;48:1–2.
Batalin GI, Beloborodova EA, Nerubaschenko VV, Galochka VD, Slyuzko LI. Izv Vyssh Ucheb Zaved Tsvetn Metall. 1982;3:74–7.
Saunders N, Rivlin VG. Thermodynamic characterization of Al-Cr, AI-Zr and Al-Cr-Zr alloy systems. Mater Sci Technol. 1986;2:521–7.
Saunders N. Department of Materials Science and Engineering. University of Surrey: Internal Report INT-MSE-016; 1988.
Wang T, Jin Z, Zhao JC. Thermodynamic assessment of the Al–Zr binary system. J Phase Equilib. 2001;22:544–51.
Fischer E, Colinet C. An updated thermodynamic modeling of the Al–Zr system. J Phase Equilib. 2015;36:404–13.
Duan YH, Huang B, Sun Y, Peng MJ, Zhou SG. Stability, elastic properties and electronic structures of the stable Zr-Al intermetallic compounds: a first-principles investigation. J Alloys Compd. 2014;590:50–60.
Wang J, Shang SL, Wang Y, Mei ZG, Liang YF, Du Y, Liu ZK. First principles calculations of binary Al compounds: enthalpies of formation and elastic properties. J CALPHAD. 2011;35:562–73.
Alatalo M, Weinert M, Watson RE. Stability of Zr-Al alloys. Phys Rev B. 1998;57:2009–12.
Ghosh G, Asta M. First-principles calculation of structural energetic of Al–TM (TM = Ti, Zr, Hf) intermetallics. J Acta Mater. 2005;53:3225–52.
Zhang H, Wang S. The structural stabilities of the intermetallics and the solid state phase transformations induced by lattice vibration effects in the Al–Zr system by first principles calculations. J Mater Res. 1998;25:2009–12.
Ghosh G, Walle AV, Asta M. First-principles calculations of the structural and thermodynamic properties of bcc, fcc and hcp solid solutions in the Al–TM (TM = Ti, Zr and Hf) systems: a comparison of cluster expansion and supercell methods. J Acta Mater. 2008;56:3202–21.
Keeler HH, Mallery JH. Crystal structure and some properties of the compound Al3Zr. J Met. 1955;2:394.
Wilson CG, Spooner EJ. Acta Crystallogr. 1960;13:358–9.
Wilson CG, Thomas DK, Spooner FJ. Acta Crystallogr. 1960;13:56–7.
Spooner FJ, Wilson CG. The crystal structure of ZrAl. Acta Crystallogr. 1962;15:621–2.
Brauer G. Crystal structure of intermetallic alloys of aluminium with titanium, zirconium, thorium, niobium and tantalum. Naturwissenschaflen. 1938;26:710.
Dinsdale AT. J CALPHAD. 1991;15:317–425.
Redlich O, Kister AT. Ind Eng Chem. 1948;40:345–55.
Kaptay G. J CALPHAD. 2004;28:115–24.
Andersson JO, Helander T, Hoglund L, Shi P, Sundman B. J CALPHAD. 2002;26(2):273–312.
Jansson B. Ph.D. Thesis, Royal Institute of Technology, Stockholm, Sweden; 1984.
Sundman B, Jansson B, Andersson JO. The thermo-calc databank system. CALPHAD. 1985;9(2):153–90.
Arroyave R, Liu ZK. J CALPHAD. 2006;30(1):1–13.
Harvey JP, Gheribi AE, Chartrand P. Thermodynamic integration based on classical atomistic simulations to determine the Gibbs energy of condensed phases: calculation of the aluminum-zirconium system. Phys Rev B. 2012;86(22):224202.
Witusiewicz VT, Bondar AA, Hecht U, Rex S, Velikanova TY. The Al–B–Nb–Ti system III Thermodynamic re-evaluation of the constituent binary system Al–Ti. J Alloys Compd. 2008;465:64–77.
Wang T, Jin Z, Zhao JC. Thermodynamic assessment of the Al-Hf binary system. J Phase Equilib. 2002;23:416–23.
He C, Stein F, Palm M. Thermodynamic description of the systems Co-Nb, Al-Nb and Co-Al-Nb. J Alloys Compd. 2015;637:361–75.
Meschel SV, Kleppa OJ. Standard enthalpies of formation of 5d aluminides by high-temperature direct synthesis calorimetry. J Alloys Compd. 1993;197:75–81.
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Tamim, R., Mahdouk, K. Thermodynamic reassessment of the Al–Zr binary system. J Therm Anal Calorim 131, 1187–1200 (2018). https://doi.org/10.1007/s10973-017-6635-3
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DOI: https://doi.org/10.1007/s10973-017-6635-3