elfab90

Great, okay thank you very much!

Hi guys, I am currently learning how to use molecular dynamics software as part of my Masters and I am trying to model the crystal structures of the different phases for a Copper and Zirconium alloy. I already know what phases are present in this alloy, however I have no information regarding the crystal structure of each phase and the coordinates of the atoms within this structure. For instance, I already that the CuZr phase corresponds to a B2 and a B1 crystal structure, however I don't have any information regarding the rest of the phases. Would any of you know where to get this information? These are the different phases, which I have taken from a phase diagram: Cu9Zr2 Cu51Zr14 Cu8Zr3 Cu2Zr Cu10Zr7 CuZr Cu5Zr8 CuZr2 I highly appreciate your help. Many thanks! Fabian