3 papers
cond-mat.mtrl-sci2026
Thermoelastic Properties Of The Ti2AlC MAX Phase: An Ab Initio Study
Bill Clintone Oyomo, Leah Wairimu Mungai, Geoffrey Arusei +4
MAX phases are used on an industrial scale in the transportation, armour, and furnace development sectors, among others. However, data on the dynamical properties of these material…
cond-mat.mtrl-sci2026
Unraveling the effects of anionic vacancies and temperature on mechanical properties of NbC and NbN: Insights from Quantum Mechanical Study
P. W. Muchiri, K. K. Korir, N. W. Makau +2
Transition metal carbides and nitrides (TMCNs), such as niobium carbide (NbC) and niobium nitride (NbN), are of great technological interest due to their exceptional hardness, high…
cond-mat.mtrl-sci2025
On the Automation of High Throughput Modeling of Adsorption In Porous Zeolitic Imidazolate Frameworks
Michael O. Atambo, Korir Kiptiemoi
The zeolitic imidazolate frameworks (ZIF) have emerged as a promising candidate for catalysis, carbon-dioxide (CO) capture and storage as well as flue gas separation due to t…