Tantalum hafnium carbide

Tantalum hafnium carbide is a refractory chemical compound with a general formula TaxHfy-xCy, which can be considered as a solid solution of tantalum carbide and hafnium carbide.

Tantalum hafnium carbide
Identifiers
ECHA InfoCard 100.068.426
Properties
Ta4HfC5
Melting point 3,990 °C; 7,214 °F; 4,263 K
Except where otherwise noted, data are given for materials in their standard state (at 25 °C [77 °F], 100 kPa).
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Infobox references

Properties

Individually, tantalum and hafnium carbide have the highest melting points among the binary compounds, 4,150 K (3,880 °C; 7,010 °F) and 4,201 K (3,928 °C; 7,102 °F), respectively,[1][2] and their "alloy" with a composition Ta4HfC5 is believed to have a melting point of 4,263 K (3,990 °C; 7,214 °F).[3]

Very few measurements of melting point in tantalum hafnium carbide have been reported, because of the obvious experimental difficulties at extreme temperatures. A 1965 study of the TaC-HfC solid solutions at temperatures 2225–2275 °C found a minimum in the vaporization rate and thus maximum in the thermal stability for Ta4HfC5. This rate was comparable to that of tungsten and was weakly dependent on the initial density of the samples, which were sintered from TaC-HfC powder mixtures, also at 2225–2275 °C. In a separate study, Ta4HfC5 was found to have the minimum oxidation rate among the TaC-HfC solid solutions.[4] Ta4HfC5 was manufactured by Goodfellow company as a 45 µm powder[5] at a price of $9,540/kg (99.0% purity).[6]

In 2015 atomistic simulations predicted that a Hf-C-N material could have a melting point exceeding Ta4Hf1C5 by 200 K.[7] This has yet to be verified by experimental evidence.

Structure

Individual tantalum and hafnium carbides have a rocksalt cubic lattice structure. They are usually carbon deficient and have nominal formulas TaCx and HfCx, with x = 0.7–1.0 for Ta and x = 0.56–1.0 for Hf. The same structure is also observed for at least some of their solid solutions.[1] The density calculated from X-ray diffraction data is 13.6 g/cm3 for Ta0.5Hf0.5C.[8][9] Hexagonal NiAs-type structure (space group P63/mmc, No. 194, Pearson symbol hP4) with a density of 14.76 g/cm3 was reported for Ta0.9Hf0.1C0.5.[8]

References
  1. Lavrentyev, A; Gabrelian, B; Vorzhev, V; Nikiforov, I; Khyzhun, O; Rehr, J (2008). "Electronic structure of cubic HfxTa1–xCy carbides from X-ray spectroscopy studies and cluster self-consistent calculations". Journal of Alloys and Compounds. 462 (1–2): 4–10. doi:10.1016/j.jallcom.2007.08.018.
  2. Lide, D. R., ed. (2005). CRC Handbook of Chemistry and Physics (86th ed.). Boca Raton (FL): CRC Press. ISBN 0-8493-0486-5.
  3. Andrievskii, R. A.; Strel'nikova, N. S.; Poltoratskii, N. I.; Kharkhardin, E. D.; Smirnov, V. S. (1967). "Melting point in systems ZrC-HfC, TaC-ZrC, TaC-HfC". Soviet Powder Metallurgy and Metal Ceramics. 6 (1): 65–67. doi:10.1007/BF00773385. ISSN 0038-5735. S2CID 135950231.
  4. Deadmore, D. L. (1965). "Vaporization of Tantalum Carbide-Hafnium Carbide Solid Solutions". Journal of the American Ceramic Society. 48 (7): 357–359. doi:10.1111/j.1151-2916.1965.tb14760.x.
  5. Goodfellow catalogue, February 2009, p. 102
  6. NIAC 7600-039 FINAL REPORT, NASA Institute for Advanced Concepts – A Realistic Interstellar Explorer, 14 October 2003, p. 55
  7. Hong, Qi-Jun; van de Walle, Axel (2015). "Prediction of the material with highest known melting point from ab initio molecular dynamics calculations". Physical Review B. 92 (2). doi:10.1103/PhysRevB.92.020104. ISSN 1098-0121.
  8. Rudy, E.; Nowotny, H. (1963). "Untersuchungen im System Hafnium-Tantal-Kohlenstoff". Monatshefte für Chemie. 94 (3): 507–517. doi:10.1007/BF00903490.
  9. Rudy, E.; Nowotny, H.; Benesovsky, F.; Kieffer, R.; Neckel, A. (1960). "Über Hafniumkarbid enthaltende Karbidsysteme". Monatshefte für Chemie. 91: 176–187. doi:10.1007/BF00903181.

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