Design and High-Throughput Screening of High Entropy Alloys

2021 ◽  
Author(s):  
Yaqi Wu ◽  
Yong Zhang
Keyword(s):  
Solid Solution ◽  
High Throughput ◽  
High Throughput Screening ◽  
Enthalpy Of Mixing ◽  
The Self ◽  
High Entropy Alloys ◽  
Compositional Gradient ◽  
Multiple Targets ◽  
High Entropy ◽  
Ordered Phases

A balanced parameter was proposed to design the high entropy alloys (HEAs), which defined by average melting temperature Tm times entropy of mixing ΔSm over enthalpy of mixing ΔHm, Ω=TmΔSm/ΔHm, if Ω is larger than 1.1, we can predict that the entropy is high enough to overcome the enthalpy, and solid solution is likely to form rather than the intermetallic ordered phases. The composition can be further refined by using high-throughput screening by preparing the compositional gradient films. Multiple targets co-sputtering is usually used to prepare the films, and physical masking can separate the samples independently, chemical masking can also applied if possible. One example is the self-sharpening screening by using nanoindentations, the serration behaviors may related to the self-sharpening compositions.

High-throughput solid solution strengthening characterization in high entropy alloys

2019 ◽  
Vol 167 ◽  
pp. 1-11 ◽  
Author(s):  
Francisco Gil Coury ◽  
Paul Wilson ◽  
Kester D. Clarke ◽  
Michael J. Kaufman ◽  
Amy J. Clarke
Keyword(s):  
Solid Solution ◽  
High Throughput ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Solid Solution Strengthening ◽  
Solution Strengthening

scholarly journals High-throughput design of high-performance lightweight high-entropy alloys

2021 ◽  
Vol 12 (1) ◽  
Author(s):  
Rui Feng ◽  
Chuan Zhang ◽  
Michael C. Gao ◽  
Zongrui Pei ◽  
Fan Zhang ◽  
...  
Keyword(s):  
High Temperature ◽  
High Throughput ◽  
High Throughput Screening ◽  
Elevated Temperatures ◽  
Alloy System ◽  
Computational Method ◽  
High Entropy Alloy ◽  
High Entropy Alloys ◽  
Theoretical Understanding ◽  
High Entropy

AbstractDeveloping affordable and light high-temperature materials alternative to Ni-base superalloys has significantly increased the efforts in designing advanced ferritic superalloys. However, currently developed ferritic superalloys still exhibit low high-temperature strengths, which limits their usage. Here we use a CALPHAD-based high-throughput computational method to design light, strong, and low-cost high-entropy alloys for elevated-temperature applications. Through the high-throughput screening, precipitation-strengthened lightweight high-entropy alloys are discovered from thousands of initial compositions, which exhibit enhanced strengths compared to other counterparts at room and elevated temperatures. The experimental and theoretical understanding of both successful and failed cases in their strengthening mechanisms and order-disorder transitions further improves the accuracy of the thermodynamic database of the discovered alloy system. This study shows that integrating high-throughput screening, multiscale modeling, and experimental validation proves to be efficient and useful in accelerating the discovery of advanced precipitation-strengthened structural materials tuned by the high-entropy alloy concept.

Exploring additive manufacturing as a high-throughput screening tool for multiphase high entropy alloys

2020 ◽  
pp. 101598
Author(s):  
Jonathan W. Pegues ◽  
Michael A. Melia ◽  
Raymond Puckett ◽  
Shaun R. Whetten ◽  
Nicolas Argibay ◽  
...  
Keyword(s):  
Additive Manufacturing ◽  
High Throughput ◽  
High Throughput Screening ◽  
Screening Tool ◽  
High Entropy Alloys ◽  
High Entropy

Friction stir gradient alloying: A novel solid-state high throughput screening technique for high entropy alloys

2020 ◽  
Vol 23 ◽  
pp. 100869 ◽  
Author(s):  
Shivakant Shukla ◽  
Tianhao Wang ◽  
Michael Frank ◽  
Priyanshi Agrawal ◽  
Subhasis Sinha ◽  
...  
Keyword(s):  
Solid State ◽  
High Throughput ◽  
High Throughput Screening ◽  
High Entropy Alloys ◽  
Screening Technique ◽  
High Entropy ◽  
Friction Stir

High-Throughput Solid Solution Strengthening Characterization in High Entropy Alloys

2018 ◽  
Author(s):  
Francisco Gil Coury ◽  
Paul Wilson ◽  
Kester D. Clarke ◽  
Michael J. Kaufman ◽  
Amy J. Clarke
Keyword(s):  
Solid Solution ◽  
High Throughput ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Solid Solution Strengthening ◽  
Solution Strengthening

Lattice distortion as an estimator of solid solution strengthening in high-entropy alloys

2021 ◽  
pp. 110877
Author(s):  
Ankit Roy ◽  
Praveen Sreeramagiri ◽  
Tomas Babuska ◽  
Brandon Krick ◽  
Pratik K. Ray ◽  
...  
Keyword(s):  
Solid Solution ◽  
Lattice Distortion ◽  
High Entropy Alloys ◽  
High Entropy ◽  
Solid Solution Strengthening ◽  
Solution Strengthening

Machine learning-enabled identification of new medium to high entropy alloys with solid solution phases

2021 ◽  
Vol 197 ◽  
pp. 110623
Author(s):  
Ujjawal Kumar Jaiswal ◽  
Yegi Vamsi Krishna ◽  
M.R. Rahul ◽  
Gandham Phanikumar
Keyword(s):  
Machine Learning ◽  
Solid Solution ◽  
High Entropy Alloys ◽  
High Entropy

A new infinite solid solution strategy to design eutectic high entropy alloys with B2 and BCC structure

2021 ◽  
Vol 199 ◽  
pp. 113886
Author(s):  
Xicong Ye ◽  
Jinyan Xiong ◽  
Xin Wu ◽  
Chang Liu ◽  
Dong Xu ◽  
...  
Keyword(s):  
Solid Solution ◽  
High Entropy Alloys ◽  
Solution Strategy ◽  
High Entropy ◽  
Bcc Structure

scholarly journals Searching novel complex solid solution electrocatalysts in unconventional element combinations

Nano Research ◽  
2021 ◽  
Author(s):  
Olga A. Krysiak ◽  
Simon Schumacher ◽  
Alan Savan ◽  
Wolfgang Schuhmann ◽  
Alfred Ludwig ◽  
...  
Keyword(s):  
High Throughput ◽  
High Throughput Screening ◽  
Active Sites ◽  
Search Space ◽  
Reduction Reaction ◽  
Film Material ◽  
X Ray ◽  
High Entropy ◽  
Catalyst Composition ◽  
Scanning Transmission

AbstractDespite outstanding accomplishments in catalyst discovery, finding new, more efficient, environmentally neutral, and noble metal-free catalysts remains challenging and unsolved. Recently, complex solid solutions consisting of at least five different elements and often named as high-entropy alloys have emerged as a new class of electrocatalysts for a variety of reactions. The multicomponent combinations of elements facilitate tuning of active sites and catalytic properties. Predicting optimal catalyst composition remains difficult, making testing of a very high number of them indispensable. We present the high-throughput screening of the electrochemical activity of thin film material libraries prepared by combinatorial co-sputtering of metals which are commonly used in catalysis (Pd, Cu, Ni) combined with metals which are not commonly used in catalysis (Ti, Hf, Zr). Introducing unusual elements in the search space allows discovery of catalytic activity for hitherto unknown compositions. Material libraries with very similar composition spreads can show different activities vs. composition trends for different reactions. In order to address the inherent challenge of the huge combinatorial material space and the inability to predict active electrocatalyst compositions, we developed a high-throughput process based on co-sputtered material libraries, and performed high-throughput characterization using energy dispersive X-ray spectroscopy (EDS), scanning transmission electron microscopy (SEM), X-ray diffraction (XRD) and conductivity measurements followed by electrochemical screening by means of a scanning droplet cell. The results show surprising material compositions with increased activity for the oxygen reduction reaction and the hydrogen evolution reaction. Such data are important input data for future data-driven materials prediction.

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