Matches in SemOpenAlex for { <https://semopenalex.org/work/W125451504> ?p ?o ?g. }
Showing items 1 to 81 of
81
with 100 items per page.
- W125451504 abstract "Structure, phase transition, and elasticity of the equiatomic TiZr alloy are investigated by using first-principles density-functional theory. Our calculated lattice parameters and equation of state for α and ω phases are in good agreement with experiments. Phase transition sequence of α→ω→β is also calculated to coincide with experiments. Elastic constants results of α and ω phases indicate that they are mechanically stable at zero pressure and at some typical finite pressures. For cubic β phase, it is mechanically unstable at zero pressure and the critical pressure for mechanical stability is predicted to equal to 2.19 GPa. Through analyzing the pressure behaviors of the elasticities, we find that the moduli, elastic sound velocities, and Debye temperature all increase with pressure for three phases of TiZr alloy. The relatively large B/G values illustrate that it is rather ductile and its ductility is more predominant than that of element Zr, especially in β phase. Pressure dependent results show that elastic wave velocities and Debye temperature have abrupt increase behaviors upon the α→ω transition at around 10 GPa and exhibit abrupt decrease feature upon the ω→β transition at higher pressure. Through Mulliken population analysis, we illustrate that the increase of the d -band occupancy will stabilize the cubic β phase." @default.
- W125451504 created "2016-06-24" @default.
- W125451504 creator A5029977105 @default.
- W125451504 creator A5032062559 @default.
- W125451504 creator A5055151897 @default.
- W125451504 date "2010-09-16" @default.
- W125451504 modified "2023-09-27" @default.
- W125451504 title "First-principles calculations of phase transition and elasticity for TiZr alloy" @default.
- W125451504 hasPublicationYear "2010" @default.
- W125451504 type Work @default.
- W125451504 sameAs 125451504 @default.
- W125451504 citedByCount "0" @default.
- W125451504 crossrefType "posted-content" @default.
- W125451504 hasAuthorship W125451504A5029977105 @default.
- W125451504 hasAuthorship W125451504A5032062559 @default.
- W125451504 hasAuthorship W125451504A5055151897 @default.
- W125451504 hasConcept C121332964 @default.
- W125451504 hasConcept C121854251 @default.
- W125451504 hasConcept C144024400 @default.
- W125451504 hasConcept C149288129 @default.
- W125451504 hasConcept C149912024 @default.
- W125451504 hasConcept C149923435 @default.
- W125451504 hasConcept C159985019 @default.
- W125451504 hasConcept C178790620 @default.
- W125451504 hasConcept C185592680 @default.
- W125451504 hasConcept C191897082 @default.
- W125451504 hasConcept C192562407 @default.
- W125451504 hasConcept C25376523 @default.
- W125451504 hasConcept C26873012 @default.
- W125451504 hasConcept C2776512210 @default.
- W125451504 hasConcept C2780026712 @default.
- W125451504 hasConcept C2908647359 @default.
- W125451504 hasConcept C40899509 @default.
- W125451504 hasConcept C44280652 @default.
- W125451504 hasConcept C97355855 @default.
- W125451504 hasConceptScore W125451504C121332964 @default.
- W125451504 hasConceptScore W125451504C121854251 @default.
- W125451504 hasConceptScore W125451504C144024400 @default.
- W125451504 hasConceptScore W125451504C149288129 @default.
- W125451504 hasConceptScore W125451504C149912024 @default.
- W125451504 hasConceptScore W125451504C149923435 @default.
- W125451504 hasConceptScore W125451504C159985019 @default.
- W125451504 hasConceptScore W125451504C178790620 @default.
- W125451504 hasConceptScore W125451504C185592680 @default.
- W125451504 hasConceptScore W125451504C191897082 @default.
- W125451504 hasConceptScore W125451504C192562407 @default.
- W125451504 hasConceptScore W125451504C25376523 @default.
- W125451504 hasConceptScore W125451504C26873012 @default.
- W125451504 hasConceptScore W125451504C2776512210 @default.
- W125451504 hasConceptScore W125451504C2780026712 @default.
- W125451504 hasConceptScore W125451504C2908647359 @default.
- W125451504 hasConceptScore W125451504C40899509 @default.
- W125451504 hasConceptScore W125451504C44280652 @default.
- W125451504 hasConceptScore W125451504C97355855 @default.
- W125451504 hasLocation W1254515041 @default.
- W125451504 hasOpenAccess W125451504 @default.
- W125451504 hasPrimaryLocation W1254515041 @default.
- W125451504 hasRelatedWork W1980511562 @default.
- W125451504 hasRelatedWork W1984401468 @default.
- W125451504 hasRelatedWork W1998290403 @default.
- W125451504 hasRelatedWork W2001189719 @default.
- W125451504 hasRelatedWork W2010501264 @default.
- W125451504 hasRelatedWork W2016356019 @default.
- W125451504 hasRelatedWork W2019111343 @default.
- W125451504 hasRelatedWork W2027542066 @default.
- W125451504 hasRelatedWork W2033311808 @default.
- W125451504 hasRelatedWork W2057175902 @default.
- W125451504 hasRelatedWork W2057868911 @default.
- W125451504 hasRelatedWork W2059889591 @default.
- W125451504 hasRelatedWork W2071620491 @default.
- W125451504 hasRelatedWork W2083127751 @default.
- W125451504 hasRelatedWork W2089518301 @default.
- W125451504 hasRelatedWork W2091270550 @default.
- W125451504 hasRelatedWork W2327745631 @default.
- W125451504 hasRelatedWork W3025953231 @default.
- W125451504 hasRelatedWork W3135463861 @default.
- W125451504 hasRelatedWork W2528950698 @default.
- W125451504 isParatext "false" @default.
- W125451504 isRetracted "false" @default.
- W125451504 magId "125451504" @default.
- W125451504 workType "article" @default.