| Issue |
Europhys. Lett.
Volume 54, Number 4, May 2001
|
|
|---|---|---|
| Page(s) | 482 - 487 | |
| Section | Condensed matter: structural, mechanical and thermal properties | |
| DOI | https://doi.org/10.1209/epl/i2001-00271-3 | |
| Published online | 01 December 2003 | |
Static atomic displacements in 
-rich -
1
Eidgenössische Technische Hochschule Zürich, Institut für
Angewandte Physik CH-8093 Zürich, Switzerland
2
ENEA, Casaccia Research Centre, HPCN Project P.O. Box 2400,
I-00100 Roma, Italy and Istituto Nazionale di Fisica della Materia (INFM) - Italy
Received:
29
May
2000
Accepted:
12
March
2001
Short-range order and static atomic displacement parameters,
previously determined from diffuse neutron scattering for
-8.9
equilibrated at 775
and quenched to room temperature, were used to study lattice
relaxation effects in molecular-dynamics simulations. An
occupation of average lattice sites with and
atoms compatible with the short-range ordered state was taken as
the starting situation. Displacement parameters obtained from the
relaxation simulations and from diffuse neutron scattering show
general similarity in magnitude and dependence on distance. Also,
the species dependence of the displacement parameters known from
diffuse X-ray scattering investigations is reproduced in
magnitude.
PACS: 61.50.Ah – Theory of crystal structure, crystal symmetry, calculations and modeling / 61.66.Dk – Alloys
© EDP Sciences, 2001
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