LOGIN TO YOUR ACCOUNT

Username
Password
Remember Me
Or use your Academic/Social account:

CREATE AN ACCOUNT

Or use your Academic/Social account:

Congratulations!

You have just completed your registration at OpenAire.

Before you can login to the site, you will need to activate your account. An e-mail will be sent to you with the proper instructions.

Important!

Please note that this site is currently undergoing Beta testing.
Any new content you create is not guaranteed to be present to the final version of the site upon release.

Thank you for your patience,
OpenAire Dev Team.

Close This Message

CREATE AN ACCOUNT

Name:
Username:
Password:
Verify Password:
E-mail:
Verify E-mail:
*All Fields Are Required.
Please Verify You Are Human:
fbtwitterlinkedinvimeoflicker grey 14rssslideshare1
Lu, Y.; Sun, T.; Zhang, Ping.; Zhang, P.; Zhang, D. -B.; Wentzcovitch, R. M. (2017)
Languages: English
Types: Preprint
Subjects: Condensed Matter - Materials Science

Classified by OpenAIRE into

arxiv: Condensed Matter::Materials Science, Condensed Matter::Superconductivity
Beryllium (Be) is an important material with wide applications ranging from aerospace components to X-ray equipments. Yet a precise understanding of its phase diagram remains elusive. We have investigated the phase stability of Be using a recently developed hybrid free energy computation method that accounts for anharmonic effects by invoking phonon quasiparticles. We find that the hcp to bcc transition occurs near the melting curve at 0
  • The results below are discovered through our pilot algorithms. Let us know how we are doing!

    • [1] J. F. Cannon, J. Phys. Chem. Ref. Data, 3, 781 (1974).
    • [2] K. Persson, M. Ekman, V. Ozolinsˇ, Phys. Rev. B, 61, 11221 (2000).
    • [3] D. A. Young, Phase Diagrams of the Elements, University of California, 1991.
    • [4] A. J. Martin and A. Moore, J. Less-Common Met. 1, 85 (1959).
    • [5] A. Abey, LLNL Report No. UCRL-53567, 1984 (unpublished).
    • [6] M. Francois and M. Contre, in Proceedings of the Conference internationale sur la metallurgie du beryllium, Grenoble, (Presses Universitaires de France, Paris, 1965).
    • [7] W. J. Evans, M. J. Lipp, H. Cynn, C. S. Yoo, M. Somayazulu, D. H¨ausermann, G. Shen and V. Prakapenka, Phys. Rev. B 72, 094113 (2005).
    • [8] L. C. Ming and M. H. Manghnani, J. Phys. F: Met. Phys. 14, L1 (1984).
    • [9] V. Vijayakumar, B. K. Godwal, Y. K. Vohra, S. K. Sikka, and R. Chidambaram, J. Phys. F: Met. Phys. 14, L65 (1984).
    • [10] A. R. Marder, Science 142, 664 (1963).
    • [11] K. Nakano, Y. Akahama, and H. Kawamura, J. Phys.: Condens. Matter. 14, 10569 (2002).
    • [12] N. Velisavljevic, G. N. Chesnut, Y. K. Vohra, S. T. Weir, V. Malba, and J. Akella, Phys. Rev. B 65, 172107 (2002).
    • [13] A. Lazicki, A. Dewaele, P. Loubeyre, and M. Mezouar, Phys. Rev. B 86, 174118 (2012).
    • [14] S. H. Glenzer, G. Gregori, R.W. Lee, F. J. Rogers, S.W. Pollaine, and O. L. Landen, Phys. Rev. Lett. 90, 175002 (2003).
    • [15] S. H. Glenzer, O. L. Landen, P. Neumayer et al., Phys. Rev. Lett. 98, 065002 (2007).
    • [16] H. J. Lee, P. Neumayer, J. Castor et al., Phys. Rev. Lett. 102, 115001 (2009).
    • [17] I. Vobornik, J. Fujii, M. Hochstrasser et al., Phys. Rev. Lett. 99, 166403 (2007)
    • [18] S. W. Haan et al., Phys. Plasmas 18, 051001 (2011).
    • [19] D. Swift, D. Paisley, and M. Knudon, AIP Conf. Proc. 706, 119 (2003).
    • [20] K. L. Wilson, R. A Causey, W. L. Hsu, B. E. Mills, M. F. Smith, and J. B. Whitley, J. Vac. Sci. Technol. A 8, 1750 (1990).
    • [21] D. S. Clark, S.W. Haan, and J. D. Salmonson, Phys. Plasmas 15, 056305 (2008).
    • [22] D. C. Wilson, P. A. Bradley, N. M. Hoffman et al., Phys. Plasmas 5, 1953 (1998); J. L. Kline, S. A. Yi, A. N. Simakov et al., Phys. Plasmas 23, 056310 (2015).
    • [23] G. Robert and A. Sollier, J. Phys. IV France 134, 257 (2006).
    • [24] G. Robert, P. Legrand, and S. Bernard, Phys. Rev. B 82, 104118 (2010).
    • [25] F. Luo, L.-C. Cai, X.-R. Chen, F.-Q. Jing, and D. Alf´e, J. Appl. Phys. 111, 053503 (2012).
    • [26] L. X. Benedict, T. Ogitsu, A. Trave, C. J. Wu, P. A. Sterne, and E. Schwegler, Phys. Rev. B 79, 064106 (2009).
    • [27] G. V. Sin′ko and N. A. Smirnov, Phys. Rev. B 71, 214108 (2005).
    • [28] K. K´adas, L. Vitos, R. Ahuja, B. Johansson, and J. Koll´ar, Phys. Rev. B 76, 235109 (2007).
    • [29] K. K´adas, L. Vitos, B. Johansson, and J. Koll´ar, Phys. Rev. B 75, 035132 (2007).
    • [30] D.-B. Zhang, T. Sun, and R. M. Wentzcovitch, Phys. Rev. Lett. 112, 058501 (2014).
    • [31] T. Sun, D.-B. Zhang, and R. M. Wentzcovitch, Phys. Rev. B 89, 094109 (2014).
    • [32] T. Sun, X. Shen, and P. B. Allen, Phys. Rev. B 82, 224304 (2010).
    • [33] A. J. C. Ladd, B. Moran, and W. G. Hoover, Phys. Rev. B 34, 5058 (1986).
    • [34] J. D. Althof, P. B. Allen, R.. M. Wentzcovitch, and J. A. Moriarty, Phys. Rev. B 48, 13253 (1993).
    • [35] S. Baroni, S. D. Gironcoli, A. D. Corso, and P. Giannozzi, Rev. Mod. Phys. 73, 515 (2001); Giannozzi, et al., J. Phys. Condens. Matter 21, 395502 (2009).
    • [36] P. E. Bl¨ochl, Phys. Rev. B 50, 17953 (1994).
    • [37] G. Kresse, J. Furthm¨oller, Phys. Rev. B 54, 11169 (1999).
    • [38] G. Kresse and J. Hafner, Phys. Rev. B 49, 14251 (1994).
    • [39] J. P. Perdew, K. Burke, M. Ernzerhof, ¯Phys. Rev. B 77, 3865 (1996).
    • [40] A. Togo and I. Tanaka, Scr. Mater., 108, 1 (2015).
    • [41] S. Nos´e, J. Chem. Phys. 81, 511 (1984); W.G. Hoover, ¯ Phys. Rev. A 31, 1695 (1985).
    • [42] A. A.Maradudin and A. E. Fein, Phys. Rev. 128, 2589 (1962).
    • [43] G. Grimvall, B. Magyari-Kop¨e, Vidvuds Ozolin¸ˇs, and K. A. Persson, Rev. Mod. Phys. 84, 945 (2012).
    • [44] R. M. Wentzcovitch and M. L. Cohen, Phys. Rev. B, 37, 5571 (1988).
    • [45] R. M. Wentzcovitch, Phys. Rev. B 50, 10358 (1994).
    • [46] D. C. Wallace, Thermodynamics of Crystals (Wiley, New York, 1972).
    • [47] N. D. Mermin, Phys. Rev. 137, A1441 (1965).
    • [48] R. M. Wentzcovitch, J. L. Martins, and P. B. Allen, Phys. Rev. B 45, 11372 (1992).
  • No related research data.
  • No similar publications.

Share - Bookmark

Funded by projects

Cite this article

Collected from