Hostname: page-component-7bb8b95d7b-l4ctd Total loading time: 0 Render date: 2024-10-07T00:10:33.251Z Has data issue: false hasContentIssue false
  • English
  • Français

Order-Disorder Transformation in Cu3AAu: A Molecular Dynamics Study

Published online by Cambridge University Press:  01 January 1992

Fabrizio Cleri ,
Giorgio Mazzone  and
Vittorio Rosato Enea
Fabrizio Cleri
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
Giorgio Mazzone
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
Vittorio Rosato Enea
Affiliation:
Divisione Scienza dei Materiali, C.R.E. Casaccia, CP2400, 00100 ROMA A.D. (Italy)
Get access

Abstract

The order-disorder transformation in CU3Au has been investigated using a combined Molecular Dynamics and Cluster Variation Method approach. Free energy minimization has been performed using the Natural Iteration technique. The calculated temperature dependence of enthalpy, lattice dynamics, short-range and long-range order parameters have been successfully compared with experimental data.

Type
Research Article
Information
MRS Online Proceedings Library (OPL) , Volume 291: Symposium O – Materials Theory and Modeling , 1992 , 531
Copyright
Copyright © Materials Research Society 1993

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

REFERENCES

[1] Cleri, F.,Mazzone, G. and Rosato, V., to be publishedGoogle Scholar
[2] Kikuchi, R., Phys.Rev. 81 (1951) 988 Google Scholar
[3] Kikuchi, R., J. Chem.Phys., 60 (1974) 1071 Google Scholar
[4] Rosato, V., Guillope, M. and Legrand, B., Phil.Mag.A 59 (1989) 321 Google Scholar
[5] Cleri, F. and Rosato, V., submitted to Phys.Rev.BGoogle Scholar
[6] Callen, H.B., Harrison, S.E. and Kriesman, C.J., Phys.Rev. 103 (1956) 851 Google Scholar
[7] Hultgren, R. et al. , Selected Values of the Thermodynmic Properties of Binary Alloys, American Society for Metals, Metals Park, Ohio, vol.2, 1973 Google Scholar
[8] Pearson, W.B., “A Handbook of Lattice Spacings and Structure MetAls and Alloys”. Pergamon Press, 1958 Google Scholar
[9] Maradudin, A.A., Montroll, E.W., Weiss, G.H., Ipatova, I.P., “Theory of Lattice Dynamics in Harmonic Approximation” Solid State Physics Supplement, vol.3, 2nd Edition, Academic Press 1971 Google Scholar
[10] Wojtowicz, P.J. and Kirkwood, J.G., J.Chem.Phys. 33 (1960) 1299 Google Scholar
[11] Keating, D.T. and Warren, B.E., J.Appl.Phys. 22 (1951) 286 Google Scholar
[12] Betteridge, W., J.Inst.Meth. 75 (1949) 559 Google Scholar
[13] Peierls, R., Proc.Roy.Soc., A154 (1936) 207 Google Scholar
[14] Dienes, G.J., Acta Met. 8 (1958) 278 Google Scholar