Mn+1AXn phases (M = early transition metal; A = group 13-16 element and X = C or N) have numerous advantageous metallic and ceramic properties constituting them appropriate for structural applications particularly where high thermal conductivity and operating temperature is necessary. These are key properties for materials considered for nuclear fuel cladding. Here, we employ density functional theory calculations to investigate the intrinsic defect processes of a range of new Ti3AC2 phases. We discuss the findings in comparison with the recent available experimental results. Based on the intrinsic defect reactions we discuss which compositions can be employed for nuclear fuel cladding and the storage of nuclear waste.
|Publication status||Published - Sep 2017|
|Event||EUROMAT 2017: EUROPEAN CONGRESS AND EXHIBITION ON ADVANCED MATERIALS AND PROCESSES - CONFERENCE CULTURAL CENTER "Thesaloniki Concert Hall", Thessaloniki, Greece|
Duration: 17 Sep 2017 → 22 Sep 2017
|Period||17/09/17 → 22/09/17|