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Abstract The resistance to oxidizing environments exhibited by some M n+1 AX n (MAX) phases stems from the formation of stable and protective oxide layers at high operating temperatures. The MAX phases are hexagonally arranged layered nitrides or carbides with general formula M n +1 AX n , n = 1, 2, 3, where M is early transition elements, A is A block elements, and X is C/N. Previous attempts to model and assess oxide phase stability in these systems has been limited in scope due to higher computational costs. To address the issue, we developed a machine-learning driven high-throughput frameworkmore »for the fast assessment of phase stability and oxygen reactivity of 211 chemistry MAX phase M 2 AX. The proposed scheme combines a sure independence screening sparsifying operator-based machine-learning model in combination with grand-canonical linear programming to assess temperature-dependent Gibbs free energies, reaction products, and elemental chemical activity during the oxidation of MAX phases. The thermodynamic stability, and chemical activity of constituent elements of Ti 2 AlC with respect to oxygen were fully assessed to understand the high-temperature oxidation behavior. The predictions are in good agreement with oxidation experiments performed on Ti 2 AlC. We were also able to explain the metastability of Ti 2 SiC, which could not be synthesized experimentally due to higher stability of competing phases. For generality of the proposed approach, we discuss the oxidation mechanism of Cr 2 AlC. The insights of oxidation behavior will enable more efficient design and accelerated discovery of MAX phases with maintained performance in oxidizing environments at high temperatures.« less
Free, publicly-accessible full text available December 1, 2022
Subedi, Sujata; Arce, Gabriel A.; Hassan, Marwa M.; Huang, Oscar; Radovic, Miladin; Hossain, Zahid(
, Transportation Research Record: Journal of the Transportation Research Board)
This study characterized and evaluated the use of reclaimed fly ash (RFA) and reclaimed ground bottom ash (GBA) as alternative sources of supplementary cementitious materials (SCMs) for the production of concrete mixtures. Conventional Class F fly ash (FA) was also evaluated for comparison. The effects of SCM content on fresh and hardened properties of concrete were investigated by replacing 10%, 20%, and 30% of cement by mass. Characterization results showed that all three ashes met ASTM C618 chemical requirements (i.e., sum of SiO 2 + Al 2 O 3 + Fe 2 O 3 , CaO, SO 3 , moisture content, andmore »loss of ignition) and 7- and 28-days strength activity index (SAI) requirements for Class F FA. In addition, RFA exhibited slightly higher SAI at 28 days of curing, followed by GBA and FA. In relation to fresh concrete properties, FA increased the concrete slump compared with the control mixture, whereas RFA and GBA decreased the concrete slump. However, GBA produced more significant slump decrements than RFA, which was attributed to the irregular angular particles of GBA. Generally, all the coal ashes produced decrements in air content compared with the control mixture. Comparatively, among the three ashes, GBA exhibited the highest 28- and 90-days compressive strength and surface resistivity (SR) at all cement replacement levels. Furthermore, at 90 days of curing, RFA and GBA concrete mixtures outperformed the FA concrete mixtures in relation to compressive strength and SR. Consequently, both RFA and GBA are promising SCMs for concrete materials.« less
