Phase stability of magnesium-rare earth binary systems from first-principles calculations

Journal of Alloys and Compounds

Volumn 509, Issue 24, 2011, Pages 6899-6907

  Tao, Xiaoma ^a,b   Ouyang, Yifang ^a,b   Liu, Huashan ^b   Feng, Yuanping ^c   Du, Yong ^b   He, Yuehui ^b   Jin, Zhanpeng ^b  

^a GUANGXI UNIVERSITY   (China)

^b CENTRAL SOUTH UNIVERSITY   (China)

^c NATIONAL UNIVERSITY OF SINGAPORE   (Singapore)

Author keywords

Electronic structure; First principles; Mg RE alloys; Thermodynamic property

Indexed keywords

BINARY SYSTEMS; BULK MODULUS; COHESIVE PROPERTY; ENTHALPY OF FORMATION; EXPERIMENTAL DATA; FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; GENERALIZED GRADIENT APPROXIMATIONS; INTERMETALLIC COMPOUNDS; LANTHANIDES; MG-RE ALLOYS; TOTAL ENERGY;

DENSITY FUNCTIONAL THEORY; ELECTRONIC PROPERTIES; ELECTRONIC STRUCTURE; EUROPIUM; EUROPIUM COMPOUNDS; INTERMETALLICS; MAGNESIUM; PHASE STABILITY; SCANDIUM; SYSTEMS (METALLURGICAL); YTTERBIUM;

CALCULATIONS;

EID: 79956224687     PISSN: 09258388     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.jallcom.2011.03.177     Document Type: Article

References (41)

1. H.E. Friedrich, and B.L. Mordike Magnesium Technology (Metallurgy, Design Data, Applications) 2006 Springer Berlin
2. N. Stanford, and D. Phelan Acta Mater. 58 2010 3642
3. A. Datta, U.V. Waghmare, and U. Ramamurty Acta Mater. 56 2008 2531
4. Y.M. Zhu, A.J. Morton, and J.F. Nie Acta Mater. 58 2010 2936
5. J.X. Yi, B.Y. Tang, P. Chen, D.L. Li, L.M. Peng, and W.J. Ding J. Alloys Compd. 509 2011 669
6. A.K. Niessen, F.R. de Boer, R. Boom, P. de Chatel, W.C.M. Mattens, and A.R. Miedema Calphad 7 1983 51
7. Y.F. Ouyang, B.W. Zhang, S.Z. Liao, and Z.P. Jin Rare Met. Mater. Eng. 24 1995 32
8. W. Hu, H. Xu, X. Shu, X. Yuan, B. Gao, and B. Zhang J. Phys. D: Appl. Phys. 33 2000 711
9. A. Pisch, R. Schmid-Fetzer, G. Cacciamani, P. Riani, A. Saccone, and R. Ferro Z. Metallkd. 89 1988 474
10. O.B. Fabrichnaya, H.L. Lukas, G. Effenberg, and F. Aldinger Intermetallics 11 2003 1183
11. C. Guo, and Z. Du J. Alloys Compd. 385 2004 109
12. H. Zhang, Y. Wang, S. Shang, L.-Q. Chen, and Z.-K. Liu J Alloys Compd. 463 2008 294
13. C. Guo, and Z. Du J. Alloys Compd. 399 2005 183
14. S. Gorsse, C.R. Hutchinson, B. Chevalier, and J.F. Nie J. Alloys Compd. 392 2005 253
15. X.M. Tao, H. Wang, W.J. Zhu, H.S. Liu, Y.F. Ouyang, and Z.P. Jin Calphad 32 2008 462
16. G. Cacciamani, S. De Negri, A. Saccone, and R. Ferro Intermetallics 11 2003 1135
17. C. Guo, and Z. Du J. Alloys Compd. 422 2006 102
18. G. Cacciamani, A. Saccone, S. De Negri, and R. Ferro J. Phase Equilib. 23 2002 38
19. Z. Du, H. Liu, and G. Ling J. Alloys Compd. 373 2004 151
20. X. Zhang, D. Kevorkov, and M.O. Pekguleryuz J. Alloys Compd. 501 2010 366
21. X. Zhang, D. Kevorkov, and M.O. Pekguleryuz J. Alloys Compd. 475 2009 361
22. D.W. Zhou, P. Peng, and J.S. Liu J. Alloys Compd. 428 2007 316
23. H. Zhang, S. Shang, J.E. Saal, A. Saengdeejing, Y. Wang, L.Q. Chen, and Z.-K. Liu Intermetallics 17 2009 878
24. A. Berche, F. Marinelli, J. Rogez, and M.-C. Record Thermochim. Acta 499 2010 65
25. Y.F. Wang, W.B. Zhang, and Z.Z. Wang Comput. Mater. Sci. 41 2007 78
26. P. Chen, D.L. Li, J.-X. Yi, L. Wen, B.-Y. Tang, L.-M. Peng, and W.-J. Ding Solid State Sci. 11 2009 2156
27. P.E. Blöchl Phys. Rev. B 50 1994 17953
28. G. Kresse, and J. Joubert Phys. Rev. B 59 1999 1758
29. G. Kresse, and J. Furthmuller Phys. Rev. B 54 1996 11169
30. G. Kresse, and J. Furthmuller Comput. Mater. Sci. 6 1996 15
31. J.P. Perdew, and Y. Wang Phys. Rev. B 45 1992 13244
32. J.P. Perdew, J.A. Chevary, and S.H. Vosko Phys. Rev. B 46 1992 6671
33. H.J. Monkhorst, and J.D. Pack Phys. Rev. B 13 1972 5188
34. P. Vinet, J.H. Rose, J. Ferrante, and J.R. Smith J. Phys.: Condens. Matter 1 1989 1941
35. T.B. Massalski et al., Binary Alloy Phase Diagrams, ASM International, Materials Park, OH, 1995.
36. P. Villars, L.D. Calvert, Pearson's Handbook of Crystallographic Data for Intermetallic Phases, vol. 1-4, ASM International, Materials Park, OH, 1991.
37. W. Klemm, H. Kock, and W. Muhlpfordt Angew. Chem. Int. 3 1964 704
38. J.F. Smith, D. Bailey, D.B. Novotny, and J.E. Davison Acta Metall. 13 1965 558
39. I.N. Pyagai, E.Z. Khasanova, A.V. Vakhobov, and O.V. Zhikhareva Dokl. Akad. Nauk. Tadzh. SSR 33 1990 602
40. F. Bonhomme, and K. Yvon J. Alloys Compd. 232 1996 271
41. J.E. Pahlman, and J.F. Smith Metall. Trans. 3 1972 2423