A theoretical investigation and synthesis of layered ternary carbide system U-Al-C

This article presents the theoretical predictions and experimental synthesis of the uranium-containing layered ternary carbides UAl 3 C 3 and U 2 Al 3 C 4 . The electronic structures and mechanical properties of UAl 3 C 3 and U 2 Al 3 C 4 have been investigated by first-principles computations. The chemical bonding characteristics of UAl 3 C 3 and U 2 Al 3 C 4 have been compared to those of nanolaminated ternary carbides and strong interactions have been found between uranium and carbon atoms. Furthermore, UAl 3 C 3 and U 2 Al 3 C 4 powders have been fabricated by the solid state reaction method and the crystal structures of UAl 3 C 3 and U 2 Al 3 C 4 have been determined by X-ray diffraction (XRD). Based on the present results, the layered ternary carbides UAl 3 C 3 and U 2 Al 3 C 4 may provide an expansion of the derivative MAX phase (layered compounds) family as well as a new option for nuclear fuels.