First principles computation of composition dependent elastic constants of omega in titanium alloys: implications on mechanical behavior (open access)

First principles computation of composition dependent elastic constants of omega in titanium alloys: implications on mechanical behavior

Article on the poor mechanical properties of Ti alloys. The study shows that the elastic properties of the ω-phase can be systematically varied as a function of its composition to enhance both the ductility and strength of the Ti-alloy. Furthermore, that ω precipitates are not intrinsically embrittling and detrimental and that Ti-alloys can be created with both good ductility and strength by tailoring ω precipitates' composition instead of completely eliminating them.
Date: June 7, 2021
Creator: Salloom, Riyadh; Mantri, Srinivas Aditya; Banerjee, Rajarshi & Srinivasan, S. G.
System: The UNT Digital Library
Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry (open access)

Formation and Photoinduced Electron Transfer in Porphyrin- and Phthalocyanine-Bearing N-Doped Graphene Hybrids Synthesized by Click Chemistry

Article presents research where N-doped graphene (NG) has been covalently decorated with porphyrin and phthalocyanine moieties using click chemistry. Evidence of charge separation in these hybrids is secured from femtosecond transient absorption studies, acting NG as electron acceptor.
Date: March 7, 2022
Creator: Arellano, Luis M.; Gobeze, Habtom B.; Barrejón, Myriam; Parejo, Concepción; Álvarez, Julio C.; Gómez-Escalonilla, María J. et al.
System: The UNT Digital Library
Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution (open access)

Hydrogen bonding interactions of H2O and SiOH on a boroaluminosilicate glass corroded in aqueous solution

This article simulates hydrous species (H2O and Si-OH) on nano-porous alteration layers (gels) formed on a boroaluminosilicate glass called International Simple Glass corroded in aqueous solutions at pH 7 and pH 9, and initially saturated with soluble silicon-containing species were analyzed using linear and non-linear vibrational spectroscopy in combination with molecular dynamics simulations. The simulation and experimental results obtained in this study indicate that the water mobility in the gel formed at pH 9 could be slower than that in the gel formed at pH 7, and as a result, the leaching rate at pH 9 is slower than that at pH 7.
Date: January 7, 2020
Creator: Ngo, Dien; Liu, Hongshen; Chen, Zhe; Huseyin, Kaya; Zimudzi, Tawanda J.; Gin, Stéphane et al.
System: The UNT Digital Library