EPJ Web of Conferences
Volume 15, 2011LAM14 - XIV Liquid and Amorphous Metals Conference
|Number of page(s)||3|
|Section||Liquid metals and alloys|
|Published online||18 May 2011|
Multi-Scale Study of the Static Structure of Liquid Li70-Bi30 Alloy
Laboratoire de Physique des Milieux Denses, Université
Paul Verlaine – Metz, 57078
Metz Cedex 3,
2 Institut Laue Langevin, 38042 Grenoble Cedex 9, France
3 Physique des Milieux Denses, IMPMC, CNRS-UMR7590, Université Pierre et Marie Curie, 75252 Paris, France
4 Institute of Physics, Slovak Academy of Sciences, 84511 Bratislava, Slovakia
a Corresponding author:
A multi-scale approach is applied to study the static structure of Li70-Bi30 liquid alloy. In order to describe the interatomic interactions in this non-simple metal, we make a set of three empirical pair potentials fit ab-initio computations of the forces and energy in this system. Large scale classical simulations are performed using these fitted potentials from which the partial and total structures are computed. These results are validated by comparison with new experimental neutron data. The partial structure clearly indicates heterocoordination, which is consistent with a marked ionic nature of the bonding, in agreement with earlier electrical resistivity measurements.
© Owned by the authors, published by EDP Sciences, 2011
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