First-principle density-functional calculations coupled with the USPEX evolutionary phase-search
algorithm are employed to calculate the convex hull of the Mo-N binary system. Eight …

… The purpose of this study is to evaluate the mechanical properties, the tetragonal phase
stability in autoclave conditions, and biocompatibility of a newly developed (Y,Nb)-ZrO2/Al2O3 …

… , but poor ductility and phase stability have been remaining the key issues for their application.
In this paper, the phase compositions, phase stability and mechanical properties of Al x (…

… related properties of various metal systems to a high accuracy. The present study is therefore
dedicated to investigate the structural stability, mechanical property, high-pressure phase …

… alloys, their phase stability and various physical properties quantitatively. … , phase diagrams,
site occupancy of alloying elements, formation of various defects and mechanical properties …

… In Section 3, we present results of phase stability for Nb 4 AlC 3 polymorphs. The electronic
structure analysis of α-Nb 4 AlC 3 is presented in Section 4. The equation of state and …

… The effects of niobium and oxygen content on the mechanical properties, phase stability and
elastic deformation behavior of Ti-Nb-TaZr-O alloys were investigated by employing tensile …

… Based on these results we analyze phase stability as a function of structure type, composition,
and temperature. The stress-strain relation under tensile strain is computed and analyzed, …

… the stability of all relevant phases, in particular the phase stability. The diverse tungsten
borides with different stoichiometric compositions motivated us to explore their relative stability at …

… For high temperature and long use, materials are required to have good phase stability and
good mechanical properties such as ductility and strength. The aim of this study is to inves— …