D. Lebolloch et al., CONCENTRATION VARIATION OF THE EFFECTIVE PAIR INTERACTIONS MEASURED ON THE PT-V SYSTEM - EVALUATION OF THE GAMMA-EXPANSION METHOD, Computational materials science, 8(1-2), 1997, pp. 24-32
We present a detailed study of interactions in two alloys, Pt3V and Pt
8V, and preliminary results on Pt4V. In situ neutron scattering experi
ments were performed in order to measure the short range order paramet
ers in the disordered phase for the two concentrations. We will show t
he drastic effect of the concentration on the short range order (SRO),
particularly in Pt8V, where the diffuse intensity maxima do not peak
at special points of the fee lattice. Using inverse Monte Carlo (IMC)
simulations and the gamma expansion method (GEM), two sets of effectiv
e pair interactions (EPI) were deduced from the experimental SRO param
eters within the Ising model. Surprisingly, despite quite different SR
O patterns, the EPI seem nearly concentration independent. We will sho
w, using MC simulation, that the two very different diffuse intensity
maps are well reproduced with the same interaction set, The concentrat
ion independence of the EPI allowed us to describe also properties of
the ordered states and more generally the whole phase diagram. In part
icular, wt predict the existence, at very low temperature, of a new ph
ase of stoichiometry A(5)B which has never been observed until now.