Effects of mechanical and electronic properties for B2 FeAl modified by several kinds of point defects: First-principles study

Elastic, fracture and deformation behavior of B2 FeAl intermetallics modified by ternary additions as well as Al/Fe vacancy defects and anti-sites have been investigated based on density functional theory (DFT). Formation enthalpy indicates that ternary additions Sc, Y, Mo and W have a preference for Al site. While Fe site is more easily replaced by ternary Cu and Zn. Moreover, vacancy and antisite defects can be stable in FeAl. Pugh criteria ([Formula: see text] ratio), Poisson’s ratio [Formula: see text] and Cauchy pressure show that Sc, Y, Mo, W and Al vacancy (Al anti-site by Fe atom) can effectively improve the ductility of FeAl. Dislocation emission and micro-cracks propagation show that the improved ductility is due to the promoted dislocation emission but suppressed micro-cracks propagation. Bonding analyses reveal that the improved ductility is mainly own to the weakened the covalent interactions and strengthened the metallic interactions.

The effect of Co and Sn on Zr-Nb alloys for high temperature application

Zirconium has attracted a lot of attention recently due to its distinctive properties that make it suitable for extensive applications in the nuclear power and chemical industry. Zirconium and its alloys are undergoing long-term development as promising materials for the nuclear industry and power engineering. Recently, advanced Zr-based alloys are aimed for service in more severe operating conditions such as higher burn-up, increased operation temperature, and high-PH operation. In this work we observe the temperature dependence of Zr50Nb50, Zr78Nb22, Zr78Nb19Co3 and Zr50Nb49Sn1. It was observed that ternary additions with small atomic percentages of Co and Sn have significant impact on Zr-Nb alloy; and their elastic properties showed a possible enhancement on high temperature applications and physical strength.

Air Oxidation Behavior of Two Ti-Base Alloys Synthesized by HIP

The oxidation behavior of Ti-5Al-2.5Sn and Ti-6Al-4V produced by hot isostatic pressing (HIP) has been studied at 650–850°C in air for 24 h. The oxidation kinetics of both alloys followed the parabolic law with good approximation, except for Ti-5Al-2.5Sn oxidized at 850°C. Multi-layered scales formed on both alloys at 750°C and 850°C. Ternary additions of Sn and V accounted for the different morphology of the scales formed on these two alloys. In addition, the oxidation behavior of HIP alloys is compared with that of the corresponding cast alloys and the scaling mechanism is discussed.