Ab-initio study of C and N point defects in the C14-Fe2Nb phase

• Main Authors: Ladines, Alvin Noe C., Drautz, R., Hammerschmidt, T.
• Format: text
• Published: Animo Repository 2017
• Subjects: Niobium alloys; Aluminum alloys; Binary systems (Metallurgy); Zirconium alloys; Point defects; Physics
• Online Access: https://animorepository.dlsu.edu.ph/faculty_research/3740; https://animorepository.dlsu.edu.ph/context/faculty_research/article/4742/type/native/viewcontent/j.jallcom.2016.10.030
• Institution: De La Salle University

Nb-alloying of steels can lead to the formation of topologically close-packed (TCP) phases, particularly Fe2Nb Laves and Fe7Nb6μ phases. The stability of these TCP phases is strongly affected by the presence of light elements like C and N. We calculate the solution energy of C and N in C14-Fe2Nb usi...