Hostname: page-component-8448b6f56d-gtxcr Total loading time: 0 Render date: 2024-04-19T01:47:19.868Z Has data issue: false hasContentIssue false
  • English
  • Français

γ-Brass Crystallization in a Simple Monotomic Liquid

Published online by Cambridge University Press:  17 March 2011

Fredrik H.M. Zetterling ,
Mikhail Dzugutov  and
Sven Lidin
Fredrik H.M. Zetterling
Affiliation:
Department of Inogranic Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockhlom, Sweden
Mikhail Dzugutov
Affiliation:
Department of Inogranic Chemistry, Arrhenius Laboratory, Stockholm University, SE-106 91 Stockhlom, Sweden
Sven Lidin
Affiliation:
Department of Numerical Analysis and Computer Science, Royal Institute of Technology, SE-100 44 Stockholm, Sweden
Get access

Abstract

We present a molecular dynamics simulation investigating the crystallization pattern of a simple monatomic liquid model which utilize an interatomic interaction potential. The shape of the potential imitates effective interionic interaction in metallic systems. The potentials is constructed to favour icosahedral arrangement in the first coordination shell. We observe that, the system forms a thermodynamically stable solid phase exhibiting cubic symmetry. Its diffraction pattern can be identified as that of γ-brass phase, a terahedrally packed crystalline structure with 52 atoms in the unit cell. We conclude that the monatomic version of γ-brass structure generated in this simultion can be regarded as a new archetype for the γ-base structures observed in many intemetllic compounds.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 643: Symposium K – Quasicrystals-Preparation, Properties, and Applications , 2000 , K9.5
Copyright
Copyright © Materials Research Society 2001

Access options

Get access to the full version of this content by using one of the access options below. (Log in options will check for institutional or personal access. Content may require purchase if you do not have access.)

References

1. Shoemaker, D.P. and Showmaker, C.B., in: Aperidicity and Order: Introduction to Quasicrystals, edited by Jaric, M.V., Academic Press (1988)Google Scholar
2. Bradley, A.J. Gregory, C.H., Philosophical Magazine 12 143 (1931)Google Scholar
3. Westman, S., Acta Chemica Scandinavica 19 1411 (1965)Google Scholar
4. Bradley, A.J. and Lu, S.S., Zeitschrift für Kristallagraphie, Kristallgeometrie, Kristallphusik und Kristallchemie, A96 20 (1937)Google Scholar
5. Gladyshevskii, E.L., Oleksiv, G.I, and Kripyakevick, P.L., Soviet Physics, Crystallography, 9 261 (1964)Google Scholar
6. Koster, A.S., Schoone, J.C., Acta Crystallografia B37 1905 (1981)Google Scholar
7. Dzugutov, M. Phys. Rev A 46, R2984 (1992)Google Scholar
8. Dzugutov, M. Phys. Lett., 70 pp. 2924–2927 (1993)Google Scholar
9. Simdyankin, S.L., Taraskin, S.N., Dzygytiv, M. and Elliott, S.R., Phys. Rev. B, 62 6(2000)Google Scholar
10. Roth, J. and Denton, A.R., Phys. Rev. E, 61, pp. 6845–6855 (2000)Google Scholar
11. Daams, L.L.C., Villars, P., and Van Vucht, J.H.N., Atlas Strucuture Types for Intermetallic Phases, pp. 6680–6682, (ASM International, Materials Park, OH, 1991)Google Scholar