Ab-initio data for interatomic interactions in Zr-rich ZrX (X = Sc-Cu) alloys and stability of icosahedron-like Zr13-nCun (n = 3, 4) clusters in Zr70Cu30 metallic glass

Materials Transactions

Volumn 48, Issue 7, 2007, Pages 1734-1738

  Fujima, N ^a   Asato, M ^b   Tamura, R ^a   Hoshino, T ^a  

^a SHIZUOKA UNIVERSITY   (Japan)

^b TOKYO METROPOLITAN COLLEGE OF INDUSTRIAL TECHNOLOGY   (Japan)

Author keywords

Ab initio calculations; Alloy design; Defect, point defects; Electronic structure of metals; Site occupancy

Indexed keywords

ELECTRONIC STRUCTURE; GREEN'S FUNCTION; MOLECULAR INTERACTIONS; PHASE EQUILIBRIA; POINT DEFECTS; ZIRCONIUM ALLOYS;

ALLOY DESIGNS; INTERATOMIC INTERACTIONS; SITE OCCUPANCY;

METALLIC GLASS;

EID: 34548042980     PISSN: 13459678     EISSN: None     Source Type: Journal    
DOI: 10.2320/matertrans.MJ200743     Document Type: Conference Paper

References (18)

1. J. Saida, M. Imafuku, S. Sato, E. Matsubara and A. Inoue: J. of Metastable & NanoCrystalline Materials 24-25 (2005) 339.
2. K. Saksl, H. Franz, P. Jovari, K. Klementiev, E. Welter, A. Ehnes, J. Saida, A. Inoue and J. Z. Jiang: Appl. Phys. Lett. 83 (2003) 3924.
3. T. Hoshino, T. Mizuno, M. Asato and H. Fukushima: Mater. Trans. 42 (2001) 2501.
4. M. Asato, T. Mizuno, T. Hoshino and H. Sawada: Mater. Trans. 42 (2001) 2216.
5. T. Hoshino, M. Asato, S. Tanaka, F. Nakamura and N. Fujima: Intermetallics 14 (2006) 913.
6. M. Asato et al., in this conference.
7. T. Hoshino, M. Asato and N. Fujima: Intermetallics 14 (2006) 908.
8. R. Zeller: Phys. Rev. B 55 (1997) 9400.
9. R. Zeller, M. Asato, T. Hoshino, J. Zabloudil, P. Weinberger and P. H. Dederichs: Philos. Mag. B 78 (1998) 417.
10. I. Galanakis, P. H. Dederichs and N. Papanikolaou: Phys. Rev. B 66 (2002) 174429.
11. N.Papanikolaou, R. Zeller and P. H. Dederichs: Phys. Rev. B55 (1997) 4157.
12. T. Hoshino, N. Papanikolaou, R. Zeller, P. H. Dederichs, M. Asato, T. Asada and N. Stefanou: Comput. Mater. Sci. 14 (1999) 56.
13. T. Hoshino, M. Asato, N. Fujima and N. Papanikolaou: Transanction of Materials Research Society of Japan 30 (2004) 877.
14. ADF2005.01; G. te Velde and E. J. Baerends: Comput. Phys. 99 (1992) 84.
15. T. Hoshino, R. Zeller, P. H. Dederichs and M. Weinert: Euro. Phys. Lett. 24 (1993) 495.
16. T. Hoshino et al., in preparation.
17. S. Ogata, F. Shimizu, Ju Li, M. Wakeda and Y. Shibutani: Intermetallics 14 (2006) 1033.
18. Y. Mishin, M. J. Mehl, D. A. Papaconstantpoulous, A. F. Voter and J. D. Kress: Phys. Rev. B 63 (2001) 22410.