Elastic and thermo-physical properties of TiC, TiN, and their intermediate composition alloys using ab initio calculations

Journal of Alloys and Compounds

Volumn 528, Issue , 2012, Pages 20-27

  Kim, Jiwoong ^a   Kang, Shinhoo ^b  

^a Korea Institute of Geosceince and Mineral Resources   (South Korea)

^b Seoul National University   (South Korea)

Author keywords

Ceramics; Computer simulations; Elasticity; Heat capacity; Thermal expansion

Indexed keywords

AB INITIO CALCULATIONS; AB INITIO DENSITY FUNCTIONAL THEORIES (DFT); CERAMICS; DEBYE-GRUNEISEN MODEL; DFT CALCULATION; ELASTIC PROPERTIES; ELECTRONIC CONTRIBUTIONS; EXPERIMENTAL DATA; FINITE TEMPERATURES; THERMAL EXPANSION COEFFICIENTS; THERMO-PHYSICAL PROPERTY;

ALLOYS; CALCULATIONS; COMPUTER SIMULATION; DENSITY FUNCTIONAL THEORY; ELASTICITY; FRACTURE MECHANICS; THERMAL EXPANSION; TINNING; TITANIUM ALLOYS; TITANIUM CARBIDE; TITANIUM NITRIDE;

SPECIFIC HEAT;

EID: 84859919915     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2012.02.124     Document Type: Article

References (37)

1. E.K. Storms The Refractory Carbides 1967 Academic Press New York/London
2. L.E. Toth Transition Metal Carbides and Nitrides 1971 Academic Press New York/London
3. W.S. Williams J. Appl. Phys. 35 1964 1329
4. Y. Kumashiro, A. Itoh, T. Kinoshita, and M. Sobajima J. Mater. Sci. 12 1977 595 601
5. N.K. Sharma, W.S. Williams, and R.J. Gottschall Thin Solid Films 45 1977 265 273
6. C. Vahlas, B.D. Ladouce, P.Y. Chevalier, C. Bernard, and L. Bandenbulcke Thermochim. Acta 180 1991 23 27
7. A. Zaoui, B. Bouhafs, and P. Ruterana Mater. Chem. Phys. 91 2005 108 115
8. W. Lengauer, and K. Dreyer J. Alloys Compd. 338 2002 194 212
9. E. Bemporad, C. pecchio, S. Derossi, and F. Carassiti Surf. Coat. Technol. 146-147 2001 363 370
10. C. Morant, P. Prieto, A. Forn, J.A. Picas, E. Elizalde, and J.M. Sanz Surf. Coat. Technol. 180-181 2004 512 518
11. S. Kang Powder Metall. 40 1997 139 142
12. I. Jung, S. Kang, S. Jhi, and J. Ihm Acta Mater. 47 1999 3241 3245
13. G. Kresse, and J. Hafner Phys. Rev. B 49 1994 14251
14. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
15. T.H. Courtney Mechanical Behavior of Materials 2nd ed. 2000 McGraw-Hill New York pp. 57-61
16. K. Chen, and L. Zhao J. Phys. Chem. Solids 68 2007 1805
17. S.F. Pugh Philos. Mag. 45 1954 823
18. D.R. Gaskell Introduction to the Thermodynamics of Materials 4th ed. 2003 Taylor and Francis Group New York pp. 109-110
19. W. Wolf, and R. Podloucky Philos. Mag. 79 1999 839
20. E.G. Moroni, and T. Jarlborg Europhys. Lett. 33 1996 223 228
21. B.D. Cullity, and S.R. Stock Elements of X-ray Diffraction 3rd ed. 2001 Prentice-Hall New Jersey
22. W. Xu, J. Liu, and H. Zhu J. Mater. Sci. 46 2011 1161 1166
23. R. Ahuja, and O. Eriksson Phys. Rev. B 53 1996 3072
24. E.I. Isaev, Si I. Simak, I.A. Abrikosov, R. Ahuja, Y.K. Vekilov, M.I. Katsnelson, A.I. Lichtenstein, and B. Johansson J. Appl. Phys. 101 2007 123519
25. S. Park, J. Jung, S. Kang, B.W. Jeong, C.K. Lee, and J. Ihm J. Eur. Ceram. Soc. 30 2010 1519 1526
26. S. Jhi, and J. Ihm Phys. Rev. B 56 1997 13826
27. V. Richtet, A. Beger, J. Drobniewski, I. Endle, and E. Wolf Mater. Sci. Eng. A 209 1996 353
28. L. Karlsson, L. Hultman, M.P. Johansson, J.E. Sundgren, and H. Ljungcrantz Surf. Coat. Technol. 126 2000 1
29. W. Feng, S. Cui, H. Hu, G. Zhang, and Z. Lv Physica B 406 2011 3631 3635
30. A.F. Guillermet, J. Haglund, and G. Grimvall Phys. Rev. B 45 1992 11557
31. W. Weber Phys. Rev. B 8 1973 5082
32. V.P. Zhukov, V.A. Gubanov, O. Jepsen, N.E. Christensen, and O.K. Andersen J. Phys. Chem. Solids 49 1988 841
33. S. Jhi, J. Lhm, S.G. Luie, and M.L. Cohen Nature 399 1999 132
34. A.H. Cottrel Proceedings of the European Conference on Advanced Materials and Process Cambridge, 22 July 1991
35. C.L. Fu, and M.H. Yoo Philos. Mag. Lett. 62 1990 159
36. W. Huanrong, Y. Yifu, M. Guanghui, Q. Jingyu, and W. Weimin Chin. Sci. Bull. 46 2001 1002
37. K. Aigner, W. lengauer, D. Rafaja, and P. Ettmayer J. Alloys Compd. 215 1994 121