scholarly journals Tailoring lattice strain in ultra-fine high-entropy alloys for active and stable methanol oxidation

Author(s):  
Dongdong Wang ◽  
Zhiwen Chen ◽  
Yu-Cheng Huang ◽  
Wei Li ◽  
Juan Wang ◽  
...  
Crystals ◽  
2021 ◽  
Vol 11 (11) ◽  
pp. 1413
Author(s):  
Subbarayan Sivasankaran ◽  
Fahad A. Al-Mufadi ◽  
Hany R. Ammar

The densification behavior of FeCrCuMnTi (HEA1), FeCrCuMnTiV (HEA2), and FeCrCuMnTiVZn (HEA3) equiatomic high-entropy alloys (HEAs) was explored using different uniaxial quasi-static controlled compaction (1 mm/min). These HEAs were synthesized by mechanical alloying (MA, speed: 300 rpm, BPR: 10:1, time: 25 h). Various phase formations, structural characteristics (crystallite size, lattice strain, and lattice constant), thermo-dynamic calculations, powder surface morphologies, detailed microstructural evolutions, and chemical compositions were examined using X-ray diffraction, high-resolution scanning electron microscopy, and high-resolution transmission electron microscopy. The XRD results revealed the formation of multiple solid solutions (FCC, BCC, and HCP) due to the variation in entropy, and the presence of high-strength elements (Cr, Ti, and V) in the developed HEA alloys. The synthesized powders were consolidated into bulk green samples with different compaction pressures starting from 25 to 1100 MPa under as-milled and milled under stress recovery conditions (150 °C, 1 h). The incorporation of V in the FeCrCuMnTi HEA resulted in improved densification due to a greater reduction in particle size, and high configurational entropy. Furthermore, the stress-recovered powder samples produced more relative density owing to the elimination of lattice strain. Several linear and non-linear compaction models were applied to predict densification behavior. The non-linear Cooper and Eaton model produced the highest regression coefficients compared to the other models.


2019 ◽  
Vol 44 (55) ◽  
pp. 29140-29149 ◽  
Author(s):  
Magnus Moe Nygård ◽  
Gustav Ek ◽  
Dennis Karlsson ◽  
Martin Sahlberg ◽  
Magnus H. Sørby ◽  
...  

2019 ◽  
Author(s):  
Jack Pedersen ◽  
Thomas Batchelor ◽  
Alexander Bagger ◽  
Jan Rossmeisl

Using the high-entropy alloys (HEAs) CoCuGaNiZn and AgAuCuPdPt as starting points we provide a framework for tuning the composition of disordered multi-metallic alloys to control the selectivity and activity of the reduction of carbon dioxide (CO2) to highly reduced compounds. By combining density functional theory (DFT) with supervised machine learning we predicted the CO and hydrogen (H) adsorption energies of all surface sites on the (111) surface of the two HEAs. This allowed an optimization for the HEA compositions with increased likelihood for sites with weak hydrogen adsorption{to suppress the formation of molecular hydrogen (H2) and with strong CO adsorption to favor the reduction of CO. This led to the discovery of several disordered alloy catalyst candidates for which selectivity towards highly reduced carbon compounds is expected, as well as insights into the rational design of disordered alloy catalysts for the CO2 and CO reduction reaction.


2020 ◽  
Vol 2020 (4) ◽  
pp. 16-22
Author(s):  
A.I. Ustinov ◽  
◽  
V.S. Skorodzievskii ◽  
S.A. Demchenkov ◽  
S.S. Polishchuk ◽  
...  

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