Effects of alloying elements and temperature on the elastic properties of dilute Ni-base superalloys from first-principles calculations

Journal of Applied Physics

Volumn 112, Issue 5, 2012, Pages

  Shang, S L ^a   Kim, D E ^a   Zacherl, C L ^a   Wang, Y ^a   Du, Y ^b   Liu, Z K ^a  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b CENTRAL SOUTH UNIVERSITY   (China)

Author keywords

[No Author keywords available]

Indexed keywords

ELASTIC ANISOTROPY; ELASTIC PROPERTIES; EXPERIMENTAL DATA; FINITE TEMPERATURES; FIRST-PRINCIPLES CALCULATION; ISENTROPIC; NI-BASE SUPERALLOYS; QUASISTATIC APPROACH; SPHERICAL DISTRIBUTION;

ALLOYING; CALCULATIONS; ELASTIC MODULI; ELASTICITY; HAFNIUM; IRIDIUM; MANGANESE; OSMIUM; PALLADIUM; PLATINUM; RHODIUM; SCANDIUM; SUPERALLOYS; ZIRCONIUM;

ALLOYING ELEMENTS;

EID: 84866351683     PISSN: 00218979     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.4749406     Document Type: Conference Paper

References (42)

1. R. C. Reed, The Superalloys: Fundamentals and Applications (Cambridge University Press, Cambridge, 2006).
2. R. C. Reed, T. Tao, and N. Warnken, Acta Mater. 57, 5898 (2009). 10.1016/j.actamat.2009.08.018
3. G. Simmons and H. Wang, Single Crystal Elastic Constants and Calculated Aggregate Properties (MIT, Cambridge, MA, 1971).
4. S. L. Shang, A. Saengdeejing, Z. G. Mei, D. E. Kim, H. Zhang, S. Ganeshan, Y. Wang, and Z. K. Liu, Comput. Mater. Sci. 48, 813 (2010). 10.1016/j.commatsci.2010.03.041
5. J. F. Nye, Physical Properties of Crystals: Their Representation by Tensors and Matrices (Oxford University Press, New York, 1985).
6. R. A. Cowley, Phys. Rev. B 13, 4877 (1976). 10.1103/PhysRevB.13.4877
7. S. F. Pugh, Philos. Mag. 45, 823 (1954).
8. J. R. Rice and R. Thomson, Philos. Mag. 29, 73 (1974). 10.1080/14786437408213555
9. X. Q. Chen, H. Y. Niu, D. Z. Li, and Y. Y. Li, Intermetallics 19, 1275 (2011). 10.1016/j.intermet.2011.03.026
10. D. Kim, S. L. Shang, and Z. K. Liu, Comput. Mater. Sci. 47, 254 (2009). 10.1016/j.commatsci.2009.07.014
11. K. Chen and M. Bielawski, Surf. Coat. Tech. 203, 598 (2008). 10.1016/j.surfcoat.2008.05.040
12. Z. Guo, A. P. Miodownik, N. Saunders, and J. P. Schille, Script. Mater. 54, 2175 (2006). 10.1016/j.scriptamat.2006.02.036
13. H. Pottebohm, G. Neite, and E. Nembach, Mater. Sci. Eng. 60, 189 (1983). 10.1016/0025-5416(83)90001-0
14. S. G. Epstein and O. N. Carlson, Acta Metall. 13, 487 (1965). 10.1016/0001-6160(65)90098-2
15. S. L. Shang, H. Zhang, Y. Wang, and Z. K. Liu, J. Phys.-Condes. Matter 22, 375403 (2010). 10.1088/0953-8984/22/37/375403
16. Y. Wang, J. J. Wang, H. Zhang, V. R. Manga, S. L. Shang, L. Q. Chen, and Z. K. Liu, J. Phys.-Condes. Matter 22, 225404 (2010). 10.1088/0953-8984/22/22/ 225404
17. S. L. Shang, Y. Wang, and Z. K. Liu, Appl. Phys. Lett. 90, 101909 (2007). 10.1063/1.2711762
18. S. L. Shang, G. Sheng, Y. Wang, L. Q. Chen, and Z. K. Liu, Phys. Rev. B 80, 052102 (2009). 10.1103/PhysRevB.80.052102
19. S. I. Ranganathan and M. Ostoja-Starzewski, Phys. Rev. Lett. 101, 055504 (2008). 10.1103/PhysRevLett.101.055504
20. S. L. Shang, Y. Wang, D. E. Kim, and Z. K. Liu, Comput. Mater. Sci. 47, 1040 (2010). 10.1016/j.commatsci.2009.12.006
21. Y. Wang, Z. K. Liu, and L. Q. Chen, Acta Mater. 52, 2665 (2004). 10.1016/j.actamat.2004.02.014
22. S. L. Shang, Y. Wang, and Z. K. Liu, Phys. Rev. B 75, 024302 (2007). 10.1103/PhysRevB.75.024302
23. R. Arroyave, D. Shin, and Z. K. Liu, Acta Mater. 53, 1809 (2005). 10.1016/j.actamat.2004.12.030
24. D. E. Kim, S. L. Shang, and Z. K. Liu, Acta Mater. 60, 1846 (2012). 10.1016/j.actamat.2011.12.005
25. Z. G. Mei, S. L. Shang, Y. Wang, and Z. K. Liu, Phys. Rev. B 80, 104116 (2009). 10.1103/PhysRevB.80.104116
26. S. L. Shang, J. Wang, Y. Wang, Y. Du, and Z. K. Liu, Comput. Mater. Sci. 50, 2096 (2011). 10.1016/j.commatsci.2011.02.015
27. J. E. Saal, Y. Wang, S. L. Shang, and Z. K. Liu, Inorg. Chem. 49, 10291 (2010). 10.1021/ic100835a
28. V. L. Moruzzi, J. F. Janak, and K. Schwarz, Phys. Rev. B 37, 790 (1988). 10.1103/PhysRevB.37.790
29. G. F. Davies, J. Phys. Chem. Solids 35, 1513 (1974). 10.1016/S0022- 3697(74)80279-9
30. G. Kresse and J. Furthmuller, Phys. Rev. B 54, 11169 (1996). 10.1103/PhysRevB.54.11169
31. G. Kresse and D. Joubert, Phys. Rev. B 59, 1758 (1999). 10.1103/PhysRevB.59.1758
32. J. P. Perdew and Y. Wang, Phys. Rev. B 45, 13244 (1992). 10.1103/PhysRevB.45.13244
33. M. Methfessel and A. T. Paxton, Phys. Rev. B 40, 3616 (1989). 10.1103/PhysRevB.40.3616
34. P. E. Blöchl, Phys. Rev. B 50, 17953 (1994). 10.1103/PhysRevB.50. 17953
35. P. Villars and L. D. Calvert, Pearsons Handbook of Crystallographic Data for Intermetallic Phases (ASTM International, Newbury, OH, 1991).
36. S. L. Shang, Y. Wang, D. E. Kim, C. L. Zacherl, Y. Du, and Z. K. Liu, Phys. Rev. B 83, 144204 (2011). 10.1103/PhysRevB.83.144204
37. S. L. Shang, W. Y. Wang, Y. Wang, Y. Du, J. X. Zhang, A. D. Patel, and Z. K. Liu, J. Phys.-Condes. Matter 24, 155402 (2012). 10.1088/0953-8984/24/15/ 155402
38. S. L. Shang, C. L. Zacherl, H. Z. Fang, Y. Wang, Y. Du, and Z. K. Liu (in press).
39. S. L. Shang, Y. Wang, R. Arroyave, and Z. K. Liu, Phys. Rev. B 75, 092101 (2007). 10.1103/PhysRevB.75.092101
40. P. N. H. Nakashima, A. E. Smith, J. Etheridge, and B. C. Muddle, Science 331, 1583 (2011). 10.1126/science.1198543
41. S. Ogata, J. Li, and S. Yip, Science 298, 807 (2002). 10.1126/science.1076652
42. Z. K. Liu, H. Zhang, S. Ganeshan, Y. Wang, and S. N. Mathaudhu, Script. Mater. 63, 686 (2010). 10.1016/j.scriptamat.2010.03.049