Elastic and thermodynamic properties of the Ni-B system studied by first-principles calculations and experimental measurements

Calphad: Computer Coupling of Phase Diagrams and Thermochemistry

Volumn 34, Issue 2, 2010, Pages 245-251

  Kong, Yi ^a   Xiong, Wei ^a,b   Guo, Haibo ^c   Sun, Weihua ^a   Du, Yong ^a   Zhou, Yichun ^d  

^a CENTRAL SOUTH UNIVERSITY   (China)

^b ROYAL INSTITUTE OF TECHNOLOGY   (Sweden)

^c The Department of Mechanical Engineering   (United States)

^d XIANGTAN UNIVERSITY   (China)

Author keywords

Elastic constants; First principles; Ni B; Thermodynamic data

Indexed keywords

CONSTANT PRESSURES; ELASTIC PARAMETERS; EXCITED ELECTRONS; EXPERIMENTAL DATA; EXPERIMENTAL MEASUREMENTS; FINITE TEMPERATURES; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GROUND-STATE ENERGIES; MOLAR HEAT CAPACITIES; NI-B; NI-B SYSTEM; THEORETICAL PREDICTION; THERMODYNAMIC DATA; VIA FIRST;

ELASTIC CONSTANTS; THERMOANALYSIS; THERMODYNAMIC PROPERTIES;

LATTICE VIBRATIONS;

EID: 77955662257     PISSN: 03645916     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.calphad.2010.04.001     Document Type: Article

References (41)

1. M. Anik, E. Korpe, and E. Sen Surf. Coat. Technol. 202 2008 1718
2. Z.J. Wu, S.H. Ge, M.H. Zhang, W. Li, S.C. Mu, and K.Y. Tao J. Phys. Chem. C 111 2007 8587
3. J.W. Choi, G.H. Hwang, W.K. Han, and S.G. Kang Appl. Surf. Sci. 253 2006 2171
4. Q.L. Rao, G. Bi, Q.H. Lu, H.W. Wang, and X.I. Fan Appl. Surf. Sci. 240 2005 28
5. Y.W. Riddle, and T.O. Bailer JOM 57 2005 40
6. T.B. Massalski Binary Alloy Phase Diagrams 2nd ed. 1996 ASM International
7. B. Idzikowski, and A. Szajek J. Optoelectron. Adv. M. 5 1 2003 239
8. K.I. Portnoi, V.M. Chubarov, V.M. Romashov, M.K. Levinskaya, and S.E. Salibekov Dokl. Akad. Nauk. SSSR 169 5 1966 1104
9. K.I. Portnoi, V.M. Romashov, V.M. Chubarov, M.K. Levinskaya, and S.E. Salibekov Porosh. Metall. (Kiev) 7 2 1967 15
10. A.S. Sobolev, and T.F. Fedorov Izv. Akad. Nauk. SSSR Met. 3 4 1967 723
11. K.H. Lee, D. Chang, and S.C. Kwon Electrochim. Acta 50 2005 4538
12. O.S. Gorelkin, A.S. Dubrovin, O.D. Kolesnikova, and N.A. Chirkov Zh. Fiz. Khim. 46 1972 754
13. S. Omori, Y. Hashimoto, and F. Oyob Funmatsu. Yak. 20 1973 80
14. S. Sato, and O.J. Kleppa Metal. Trans. B 13 1982 251
15. S.V. Meschel, and O.J. Kleppa J. Chem. Phys. 90 1993 349
16. P.E. Blochl Phys. Rev. B 50 1994 17953
17. G. Kresse, and D. Joubert Phys. Rev. B 59 1999 1758
18. G. Kresse, and J. Hafner Phys. Rev. B 47 1993 558
19. J.P. Perdew, J.A. Chevary, S.H. Vosko, K.A. Jackson, M.R. Pederson, D.J. Singh, and C. Fiolhais Phys. Rev. B 46 1992 6671
20. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1976 5188
21. J.F. Nye Physical Properties of Crystals: Their Representation by Tensors and Matrices 1985 Oxford University Press Oxford
22. S. Baroni, A.D. Corso, S. Gironcoli, P. Giannozzi, C. Cavazzoni, G. Ballabio, S. Scandolo, G. chiarotti, P. Focher, A. Pasquarello, K. Laasonen, A. Trave, R. Car, N. Marzari, and A. Kokalj http://www.pwscf.org/
23. Y. Wang, D.Q. Chen, and X.W. Zhang Phys. Rev. Lett. 84 2000 3220
24. N.W. Ashcraft, N.D. Mermin, Solid State Physics, New York, 1976.
25. A. van de Walle CALPHAD 33 2009 266 278
26. S. Rundqvist Acta. Chem. Scand. 13 1959 1193
27. 1 radiation at 40 kV and 300 mA.
28. B.F. Decker, and J.S. Kasper Acta Crystallogr. 12 1959 503
29. P. Blum J. Phys. Radium. 13 1952 430
30. E.E. Havinga, H. Damsma, and P. Hokkeling J. Less. Common Met. 27 1972 169
31. R. Gumeniuk, H. Borrmann, and A. Leithe-Jasper Z. Kristallogr. NCS 221 2006 425
32. S. Rundavist, and S. Pramatus Acta Chem. Scand. 21 1967 191
33. C. Kittel Introduction to Solid State Physics 5th ed. 1976 Wiley New York
34. C. Mailhiot, J.B. Grant, and A.K. McMahan Phys. Rev. B 42 1990 9033
35. R.J. Nelmes, J.S. Loveday, D.R. Allan, J.M. Besson, G. Hamel, P. Grima, and S. Hull Phys. Rev. B 47 1993 7668
36. T. Lundstrm Proc 12th ISSB'96, Baden, Austria, 1996 J. Solid State Chem. 133 1997
37. V.N. Naumov, V.V. Nogteva, I.E. Paukov, and G.V. Tsagareishvili Zh. Fiz. Khim. 71 1997 1596
38. P.J.M. Monteiro Cem. Concr. Res. 25 8 1995 1605
39. M.J.P. Musgrave Crystal Acoustics 1970 Holden-Day San Francisco
40. A.T. Dinsdale CALPHAD 15 1991 317
41. W.H. Sun, Y. Du, Y. Kong, H.H. Xu, W. Xiong, and S.H. Liu Int. J. Mat. Res. 10 2009 1