Samsonnikov O. Structure of two- and three-componental melts of aluminium with 3d-metalls

The dissertation is devoted to research of two and three-componential metallic melts with use of reconstruction of three-dimensional structural models by RMC method with use of experimental curves of structure factor and to the subsequent analysis of the received models by a statistical - geometrical Voronoy-Delauney method. The complex analysis of the received data for Al-(Ni,Co), Al-Ni-(Co,Fe) melts was carried out. Prominent feature of the received curves of structure factor is presence of prepeak on curves. It is shown, that existence of prepeak is caused by the ordered arrangement of atoms of transitive metals in clusters. By the example of liquid metals (Na, K, Al) comparison of two basic methods of modeling - a method of RMC and molecular dynamics was carried out. It is shown, that for alkaline metals both methods gives results which are well coordinated among themselves and to experimental data. For liquid aluminum the coordination is a little bit worse, but divergences are not so significant and do not allow to speak about an incorrectness of any of these methods in modeling of it's structure.