Abstract
The elastic properties of Ni x W1−x alloys up to x = 0.1875 have been determined from first principles calculations. We have used stress–strain relationships to calculate the C ij elastic coefficients and the Voigt–Reuss–Hill approximations to determine the bulk and shear moduli of polycrystals. The W alloying increases the compression modulus while the shear modulus remains almost constant. Furthermore, the W alloying has a minor effect on the elastic anisotropy and, therefore, on its contribution to the indentation modulus.
References
W Ehrfeld, V Hessel, H Löwe, C Schulz, and L Weber: Microsystem Techno., 1999, vol. 5, pp. 105–12.
N Tsyntsaru, H Cesiulis, M Donten, J Sort, E Pellicer, and E J Podlaha-Murphy: Surf. Eng. App. Electrochem., 2012, vol. 48, pp. 491–520.
E Slavcheva, W Mokwa, and U Schnakenberg: Electrochimica Acta, 2005, vol. 50, pp. 5573–80.
A Kawashima, E Akiyama, H Habazaki, and K Hashimoto: Mater. Sci. Eng. A, 1997, vol. 226-228, pp. 905–09.
N Atanassov, K Gencheva, and M Bratoeva: Plating Surf. Finishing, 1997, vol. 84, pp. 67–71.
E Navarro-Flores, Z Chong, and S Omanovic: J. Mol. Catalysis A: Chem., 2005, vol. 226, pp. 179–97.
A Damian and S Omanovic: J. Power Sources, 2006, vol. 158, pp. 464–76.
C A Schuh, T G Nieh, and H Iwasaki: Acta Mater., 2003, vol. 51, pp. 431–43.
A Godon, J Creus, S Cohendoz, E Conforto, X Feaugas, P Girault, and C Savall: Scripta Mater, 2010, vol. 62, pp. 403–06.
N Shakibi Nia, C Savall, J Creus, J Bourgon, P Girault, A Metsue, S Cohendoz, and X Feaugas: Mater. Sci. Eng. A, 2016, vol. 678, pp. 204–14.
L Zhu, O Younes, N Ashkenasy, Y Shacham-Diamand, and E Gileadi: App. Surf. Sci., 2002, vol. 200, pp. 1–14.
H Wang, S Yao, and S Matsumura: Surf. Coat. Technol., 2002, vol. 157, pp. 166–70.
A S M A Haseeb, U Albers, and K Bade: Wear, 2008, vol. 264, pp. 106–12.
N Sunwang, P Wangyao, and Y Boonyongmaneerat: Surf. Coat. Technol., 2011, vol. 206, pp. 1096–1101.
K Chen, L Zhao, P C Patnaik, and J S Tse: Superalloys 2004, 2004, pp. 753–58.
N Schindzielorz, K Nowak, S B Maisel, and S Müller: Acta Mater., 2014, vol. 75, pp. 307–15.
P Hohenberg and W Kohn: Phys. Rev., 1964, vol. 136, pp. B864–71.
W Kohn and L J Sham: Phys. Rev., 1965, vol. 140, pp. A1133–38.
P Giannozzi, S Baroni, N Bonini, M Calandra, R Car, C Cavazzoni, D Ceresoli, G L Chiarotti, M Cococcioni, I Dabo, A Dal Corso, S Fabris, G Fratesi, S de Gironcoli, R Gebauer, U Gerstmann, C Gougoussis, A Kokalj, M Lazzeri, L Martin-Samos, N Marzari, F Mauri, R Mazzarello, S Paolini, A Pasquarello, L Paulatto, C Sbraccia, S Scandolo, G Sclauzero, A P Seitsonen, A Smogunov, P Umari, and R M Wentzcovitch: J Phys: Cond. Matt, 2009, vol. 21, p. 395502.
A Rappe, K Rabe, E Kaxiras, and J Joannopoulos: Phys. Rev. B, 1990, vol. 41, pp. 1227–30.
J P Perdew, K Burke, and M Ernzerhof: Phys. Rev. Lett., 1996, vol. 77, pp. 3865–68.
A J Hatt, B C Melot, and S Narasimhan: Phys. Rev. B, 2010, vol. 82, p. 134418.
A Metsue, A Oudriss, J Bouhattate, and X Feaugas: J Chem Phys, 2014, vol. 140, p. 104705.
F Abe and T Tanabe: Z. Metall., 1985, vol. 76, pp. 420–25.
R Cury: Etude métallurgique des alliages Ni-W et Ni-W-Cr: relation ordre à courte distance et durcissement, PhD Paris VII University, 2007.
B B Karki, L Stixrude, and R M Wentzcovitch: Rev. Geophys., 2001, vol. 39, pp. 507–34.
A Metsue and T Tsuchiya: Phys Chem Minerals, 2011, vol. 39, pp. 177–87.
J F Nye: Physical Properties of Crystals—Their Representation by Tensors and Matrices. Oxford Science Publications, Oxford, 1964.
A G Every and A K McCurdy: Second and Higher Order Elastic Constants, in Landolt-Börnstein-group III. Springer, Berlin, 1992, 29a: 14.
S Hirsekorn: Textures and Microstructures, 1990, vol. 12, pp. 1–14.
D Mainprice: Comp. Geosci., 1990, vol. 16, pp. 385–93.
J J Vlassak and W D Nix: J. Mech. Phys. Solids, 1994, vol. 42, pp. 1223–45.
C A Brookes, J B O’Neill, and B A W Redfern: Proc. Royal Society A: Math., Phys. Eng. Sci., 1971, vol. 322, pp. 73–88.
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Metsue, A., Feaugas, X. Elasticity of Ni x W1−x (x ≤ 0.1875) Alloys from First Principles Calculations. Metall Mater Trans A 48, 5223–5227 (2017). https://doi.org/10.1007/s11661-017-4332-2
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DOI: https://doi.org/10.1007/s11661-017-4332-2