Static atomic displacements in Ni-rich Ni-Al

Short-range order and static atomic displacement parameters, previously det ermined rom di use neutron scattering for Ni-8.9 at.% Al equilibrated at 77 5 K and quenched to room temperature, were used to study lattice relaxation effects in molecular-dynamics simulations. An occupation of average lattic e sites with Ni and Al atoms compatible with the short-range ordered state was taken as the starting situation. Displacement parameters obtained from the relaxation simulations and rom di use neutron scattering show general s imilarity in magnitude and dependence on distance. Also, the species depend ence of the displacement parameters known rom diffuse X-ray scattering inve stigations is reproduced in magnitude.