Anisotropic elastic and thermal properties of titanium borides by first-principles calculations

Journal of Alloys and Compounds

Volumn 579, Issue , 2013, Pages 457-467

  Sun, Liang ^a   Gao, Yimin ^a   Xiao, Bing ^b   Li, Yefei ^a   Wang, Guoliang ^a  

^a XI'AN JIAOTONG UNIVERSITY   (China)

^b Tulane University   (United States)

Author keywords

Elastic behavior; Heat capacity; Thermal expansion; Titanium borides

Indexed keywords

ANISOTROPY; BORIDES; CALCULATIONS; DENSITY FUNCTIONAL THEORY; ELASTIC MODULI; EXPANSION; SPECIFIC HEAT; TEMPERATURE; TEMPERATURE DISTRIBUTION; TITANIUM;

ANISOTROPIC ELASTIC PROPERTIES; ELASTIC BEHAVIOR; FIRST-PRINCIPLES CALCULATION; INCREASING TEMPERATURES; TEMPERATURE DEPENDENCE; THERMAL EXPANSION COEFFICIENTS; TITANIUM BORIDE; VOLUMETRIC COEFFICIENTS;

THERMAL EXPANSION;

EID: 84884224411     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2013.06.119     Document Type: Article

References (63)

1. V.I. Matkovich, Boron and Refractory Borides, Springer Verlag, New York, 1977.
2. R.G. Munro, J. Res. Natl. Inst. Stand. Technol. 105 2000 709.
3. A.L. Greer, A.M. Buma, A. Tronche, P.V. Evans, D.J. Bristow, Acta Mater. 48 2000 2823.
4. H.Y. Yan, Q. Wei, S.M. Chang, P. Guo, Trans. Nonferrous Met. Soc. China 21 2011 1627.
5. J.L. Murray, P.K. Liao, K.E. Spear, Bull. Alloy Phase Diagrams 7 1986 550.
6. K.E. Spear, P. Mcdowell, F. Mcmahon, J. Am. Ceram. Soc. 69 1986 C4.
7. X. Ma, C. Li, Z. Du, W. Zhang, J. Alloys Comp. 370 2004 149.
8. B.F. Decker, R. Kasper, Acta Cryst. 7 1954 77.
9. W.P. Pearson, Handbook of Lattice Spacings and Structures of Metals and Alloys, vol. 2, Pergamon, New York, 1967.
10. B. Mouffok, H. Feraoun, H. Aourag, Mater. Lett. 60 2006 1433.
11. Y.F. Li, K. Matsuura, M. Ohno, Y.M. Gao, J. Yu, Powder Metall. 55 2012 162.
12. M.S. Jensen, M. Einarsrud, T. Grande, J. Am. Ceram. Soc. 90 2007 1339.
13. W. Kohn, L.J. Sham, Phys. Rev. 140 1965 1133.
14. M.D. Segall, P.J.D. Lindan, M.J. Probert, C.J. Pickard, S.J. Clark, M.C. Payne, J. Phys. Condens. Matter 14 2002 2717.
15. J.P. Perdew, K. Burke, Y. Wang, Phys. Rev. B 54 1996 16533.
16. H.J. Monkhorst, J.D. Pack, Phys. Rev. B 13 1976 5188.
17. S. Baroni, S.D. Gironcoli, A.D. Corso, P. Giannozzi, Rev. Mod. Phys. 73 2001 515.
18. C. Lee, X. Gonze, Phys. Rev. B 51 1995 8610.
19. Y. Wang, Z.K. Liu, L.Q. Chen, Acta Mater. 52 2004 2665.
20. G. Kern, G. Kresse, J. Hafner, Phys. Rev. B 59 1999 8551.
21. J. Feng, B. Xiao, C.L. Wan, Z.X. Qu, Z.C. Huang, J.C. Chen, Acta Mater. 59 2011 1742.
22. N.L. Okamoto, M. Kusakari, K. Tanaka, H. Inui, S. Otani, Acta Mater. 58 2010 76.
23. D.H. Chung, W.R. Buessem, J. Appl. Phys. 38 1967 2010.
24. D.H. Chung, W.R. Buessem, J. Appl. Phys. 38 1967 2535.
25. S.K.R. Patil, S.V. Khare, B.R. Tuttle, J.K. Bording, S. Kodambaka, Phys. Rev. B 73 2006 104118.
26. Z.J. Wu, E.J. Zhao, H.P. Xiang, X.F. Hao, X.J. Liu, J. Meng, Phys. Rev. B 76 2007 054115.
27. J.Y. Liang, Y.C. Che, Thermodynamical data for inorganic compounds, Northeastern.
28. K.B. Panda, K.S.R. Chandran, Comput. Mater. Sci. 35 2006 134.
29. V. Milman, M.C. Warren, J. Phys. Condens. Matter 13 2001 5585.
30. R. Kumar, M.C. Mishra, B.K. Sharma, V. Sharma, J.E. Lowther, V. Vyas, G. Sharma, Comput. Mater. Sci. 61 2012 150.
31. A.L. Ivanovskii, Prog. Mater Sci. 57 2012 184.
32. K.B. Panda, K.S.R. Chandran, Acta Mater. 54 2006 1641.
33. H.Y. Wang, F.Y. Xue, H. Zhao, D.J. Li, Adv. Mater. Res. 40 2011 150.
34. X. Zhang, X. Luo, J. Li, P. Hu, J. Han, Scr. Mater. 62 2010 625.
35. M. Mizuno, I. Tanaka, H. Adachi, Phys. Rev. B 59 1999 15033.
36. G. Volunakis, L. Tsetseris, S. Logothetidis, Mater. Sci. Eng. B 176 2011 484.
37. J.H. Jang, I.G. Kim, H.K.D.H. Bhadeshia, Comput. Mater. Sci. 44 2009 1319.
38. J.J. Gilman, B.W. Roberts, J. Appl. Phys. 32 1961 1405.
39. D.L. Price, B.R. Cooper, Phys. Rev. B 39 1989 4945.
40. Y.F. Li, Y.M. Gao, B. Xiao, T. Min, Y. Yang, S.Q. Ma, D.W. Yi, J. Alloys Comp. 509 2011 5242.
41. Y.F. Li, Y.M. Gao, B. Xiao, T. Min, Z.J. Fan, S.Q. Ma, L.L. Xu, J. Alloys Comp. 502 2010 28.
42. Y.C. Liang, W.L. Guo, Z. Fang, Acta Phys. Sin. 56 2007 4847.
43. B.D. Fulcher, X.Y. Cur, B. Delley, C. Stampfl, Phys. Rev. B 85 2012 184106.
44. X.Q. Chen, H.Y. Niu, D.Z. Li, Y.Y. Li, Intermetallics 19 2011 1275.
45. G.N. Greaves, A.L. Greer, R.S. Lakes, T. Rouxel, Nat. Mater. 10 2011 823.
46. K. Brugger, J. Appl. Phys. 36 1965 768.
47. O.L. Anderson, J. Phys. Chem. Solids 24 1963 909.
48. B. Post, F. Wglaser, D. Moskowitz, Acta Metall. 2 1954 20.
49. S.I. Ranganathan, M. Ostoja-Starzewski, Phys. Rev. Lett. 101 2008 055504.
50. D.H. Chung, W.R. Buessem, Anisotropy in Single Crystal Refractory Compounds, Plenum Press, New York, 1968.
51. P. Ravindran, L. Fast, P.A. Korzhavyi, B. Johansson, J. Wills, O. Eriksson, J. Appl. Phys. 84 1998 4891.
52. G. Grimvall, Thermophysical Properties of Materials, Elsevier, Amsterdam, 1999.
53. C. Kittel, Introduction to Solid State Physics, John Wiley and Sons, New York, 1997.
54. A.V. Kityk, A.V. Zadorozhna, Y.I. Shchur, I.Y. Martynyuk-Lototska, Ya. Burak, O.G. Vlokh, Aust. J. Phys. 51 1998 943.
55. K.S.R. Chandran, K.B. Panda, S.S. Sahay, JOM 56 2004 42.
56. F. Cverna, ASM Ready Reference: Thermal properties of Metals, ASM International, Materials Park, Ohio, 2002.
57. G.S. Upadhyaya, Nature and Properties of Refractory Carbides, Nova Science Publishers, New York, 1996.
58. A.S. Kurlov, A. Leenaers, S.V.D. Berghe, M. Scibetta, H. Schrottner, A.A. Rempel, Rev. Adv. Mater. Sci. 27 2011 165.
59. Y.F. Li, Y.M. Gao, Wear 268 2010 511.
60. M.W. Chase, NIST-JANAF Thermochemical Tables, fourth ed., American Institute of Physics for the National Institute of Standards and Technology, New York, 1998.
61. V.T. Witusiewicz, A.A. Bondar, U. Hecht, S. Rex, T.Y. Velikanova, J. Alloys Comp. 448 2008 185.
62. S.E. Lofland, J.D. Hettinger, T. Meehan, P. Finkel, M.W. Barsoum, G. Hug, Phys. Rev. B 74 2006 174501.
63. J.F. Nye, Physical Properties of Crystals, Oxford University Press, Oxford, 1985.