First-principles calculations of twin-boundary and stacking-fault energies in magnesium

Scripta Materialia

Volumn 62, Issue 9, 2010, Pages 646-649

  Wang, Y ^a   Chen, L Q ^a   Liu, Z K ^a   Mathaudhu, S N ^b  

^a PENNSYLVANIA STATE UNIVERSITY   (United States)

^b U S ARMY RESEARCH LABORATORY   (United States)

Author keywords

First principles calculation; Interfaces; Magnesium; Twinning

Indexed keywords

FIRST-PRINCIPLES; FIRST-PRINCIPLES CALCULATION; INTERFACES; MIRROR REFLECTIONS; STACKING FAULT ENERGIES; SUPER CELL; SUPERCELL APPROACH; TWIN BOUNDARIES;

INTERFACIAL ENERGY; MAGNESIUM; MIRRORS; PHASE INTERFACES;

STACKING FAULTS;

EID: 77049100700     PISSN: 13596462     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.scriptamat.2010.01.014     Document Type: Article

References (21)

1. Serra A., Bacon D.J., and Pond R.C. Acta Metall. 36 (1988) 3183
2. Christian J.W., and Mahajan S. Prog. Mater. Sci. 39 (1995) 1
3. deDiego N., and Bacon D.J. Model. Simul. Mater. Sci. Eng. 3 (1995) 797
4. Hu W.Y., Zhang B.W., Huang B.Y., Gao F., and Bacon D.J. J. Phys. Condes. Matter 13 (2001) 1193
5. Capolungo L., and Beyerlein I.J. Phys. Rev. B 78 (2008) 024117
6. Sastry D.H., Prasad Y.V.R., and Vasu K.I. Scripta Mater. 3 (1969) 927
7. Couret A., and Caillard D. Acta Metall. 33 (1985) 1455
8. Fleischer R.L. Scripta Mater. 20 (1986) 223
9. Liu Z.K. J. Phase Equilib. Diffus. 30 (2009) 517
10. Chetty N., and Weinert M. Phys. Rev. B 56 (1997) 10844
11. Morris J.R., Ye Y.Y., and Yoo M.H. Philos. Mag. 85 (2005) 233
12. Smith A.E. Surf. Sci. 601 (2007) 5762
13. Uesugi T., Kohyama M., Kohzu M., and Higashi K. Mater. Sci. Forum 419 4 (2003) 225
14. Yoo M.H., Morris J.R., Ho K.M., and Agnew S.R. Metall. Mater. Trans. A Phys. Metall. Mater. Sci. 33 (2002) 813
15. Vanderbilt D. Phys. Rev. B 41 (1990) 7892
16. Perdew J.P., Chevary J.A., Vosko S.H., Jackson K.A., Pederson M.R., Singh D.J., and Fiolhais C. Phys. Rev. B 46 (1992) 6671
17. Kresse G., and Furthmuller J. Phys. Rev. B 54 (1996) 11169
18. Kresse G., and Joubert D. Phys. Rev. B 59 (1999) 1758
19. Gonze X., Rignanese G.M., Verstraete M., Beuken J.M., Pouillon Y., Caracas R., Jollet F., Torrent M., Zerah G., Mikami M., Ghosez P., Veithen M., Raty J.Y., Olevanov V., Bruneval F., Reining L., Godby R., Onida G., Hamann D.R., and Allan D.C. Z. Kristall. 220 (2005) 558
20. Ceperley D.M., and Alder B.J. Phys. Rev. Lett. 45 (1980) 566
21. Payne M.C., Teter M.P., Allan D.C., Arias T.A., and Joannopoulos J.D. Rev. Mod. Phys. 64 (1992) 1045