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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
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