Abstract
The ductility and hardness behaviour of NbxTi1−xN (x = 0, .25, .5, .75 and 1) ternary alloy has been studied. Bulk modulus, Young’s modulus, shear modulus, Poisson’s ratio and anisotropy energy have been calculated. Analysis of G/B and Cauchy’s pressure shows that TiN is brittle in nature in good agreement with other theoretical results. Systematic addition of Nb with TiN shows that Nb.75Ti.25N is ductile. The charge density plot shows weak directional contours that enclose Ti and N due to the ductile behaviour of the alloy, namely Nb.75Ti.25N. The estimated hardness of Nb.75Ti.25N is 19.78 GPa, which is 70 % of hardness value of TiN (29.4 GPa) and thus addition of niobium enhances the ductility of TiN. The Debye temperature of the present alloy system is also reported.
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References
L E Toth Transition Metal Carbides and Nitrides (New York: Academic press) (1971)
H O Pierson Hand Book of Refractory Carbides and Nitrides—Properties, Characteristics, Processing and Applications (USA: NOYES Publication) p 8 (1996)
R Ahuja, O Eriksson, J M Wills and B Johansson Phys. Rev. B 53 6 (1996)
P Ojha, M Aynyas and S P Sanyal J. Phys. Chem. Solids 68 148 (2007)
Z Dridi, B Bouhafs, P Ruterana and H Aourag J. Phys. Condens. Matter 14 10237 (2002)
M G Brik and C G Ma Comput. Mater. Sci. 51 380 (2012)
K Liu, X Lin Zhou, H Hua Chen and L Yulu Physica B 407 3617 (2012)
Y Yang, H Lu, C Yu and J M Chen J. Alloys Compd. 485 542 (2009)
A J Wang et al. Comput. Mater. Sci. 48 705 (2010)
A E Santana, A Karimi, V H Derflinger and A Schutze Mat. Sci. Eng. A 406 11 (2005)
P Blaha, K Schwarz, G K H Madsen, D Kausnicka and J Luitz WIEN2K An Augmented plane wave + local orbitals program for calculating crystal properties (Austria: K. Schwarz Technical universitat, WIEN) (2001)
J P Perdew, K Burke and M Ernzerhof Phys. Rev. Lett. 77 386 (1996)
J Yang and F Gao Phys. B 407 3527 (2012)
P Soni, G Pagare and S P Sanyal J. Phys. Chem. Solids 72 810 (2011)
P Carkova, P Karen and L Dobiasova Cryst. Res. Technol. 21 735 (1986)
T Amriou, B Bouhafs, H Aourag, B Khelifa, S Bresson and C Mathieu Phys. B 325 46 (2003)
A Zaoui, S Kacimi, A Boukortt and B Bouhafs Phys. B 405 153 (2010)
V P Zhukov, V A Gubanov, O Jepsen, N E Christensen and O K Andersen J. Phys. Chem. Solids 49 841 (1988)
A Zaoui, B Bouhafs and P Ruterana Mater. Chem. Phys. 91 108 (2005)
W Feng, S Cui, H Hu, G Zhang and Z Lv Phys. B 406 3631 (2011)
W Chen and J Z Jiang J. Alloys Compd. 499 243 (2010)
X J Chen et al. Proc. Natl. Acad. Sci. USA 102 3198 (2005)
B Wang, Y Liu, Y Liu and J W Ye Phys. B 407 2542 (2012)
K Chen, L R Zhao, J Rodgers and J S Tse J. Phys. D Appl. Phys. 36 2725 (2003)
J O Kim, J D Achenbach, P B Mirkarimi, M Shinn and S A Barnett J. Appl. Phys. 721 805 (1992)
W Weber Phys. Rev. B 8 5082 (1973)
E I Isaev et al. J. Appl. Phys. 101 123519 (2007)
R A Andrievskii, I I Spivak Strength of Refractory Compounds and Materials Based on Them: Handbook (Chelyabinsk: Metallurgiya) (1989)
D G Clerc and H M Ledbetter J. Phys. Chem. Solids 59 1071 (1998)
S F Pugh Philos. Mag. 45 823 (1954)
D Pettifor Mater. Sci. Technol. 8 345 (1992)
S H Jhi, J Ihm, S G Louie and M L Cohen Nature 399 132 (1999)
E Sayed Yousef, A El-Adawy and N El-KheshKhany Solid State Commun. 139 108 (2006)
V Tvergaard and J W Hutchinson J. Am. Ceram. Soc. 71 157 (1988)
J B Levine, S H Tolbert and R B Kaner Adv. Funct. Mater. 19 3519 (2009)
Z Wang, X Kuang, X Huang, P Lu and A Mao Euro. Phys. Lett. 92 56002 (2010)
J Kim and S Kang J. Alloys and Compd. 528 20 (2012)
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Arockiasamy, M.L.S., Sundareswari, M. & Rajagopalan, M. Ductility behaviour of cubic titanium niobium nitride ternary alloy: a first-principles study. Indian J Phys 90, 149–154 (2016). https://doi.org/10.1007/s12648-015-0736-2
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DOI: https://doi.org/10.1007/s12648-015-0736-2