Accelerating the design of compositionally complex materials via physics-informed artificial intelligence
The chemical space for designing materials is practically infinite. This makes disruptive
progress by traditional physics-based modeling alone challenging. Yet, training data for …
progress by traditional physics-based modeling alone challenging. Yet, training data for …
Single-phase high-entropy alloys–A critical update
W Steurer - Materials Characterization, 2020 - Elsevier
Maximization of the configurational entropy–this has been the magic formula promising
thousands or even millions of intermetallic multiple-principal-element solid solutions with …
thousands or even millions of intermetallic multiple-principal-element solid solutions with …
Using machine learning and feature engineering to characterize limited material datasets of high-entropy alloys
D Dai, T Xu, X Wei, G Ding, Y Xu, J Zhang… - Computational Materials …, 2020 - Elsevier
The prediction of the phase formation of high entropy alloys (HEAs) has attracted great
research interest recent years due to their superior structure and mechanical properties of …
research interest recent years due to their superior structure and mechanical properties of …
[HTML][HTML] Machine-learning informed prediction of high-entropy solid solution formation: Beyond the Hume-Rothery rules
The empirical rules for the prediction of solid solution formation proposed so far in the
literature usually have very compromised predictability. Some rules with seemingly good …
literature usually have very compromised predictability. Some rules with seemingly good …
[HTML][HTML] A map of single-phase high-entropy alloys
High-entropy alloys have exhibited unusual materials properties. The stability of equimolar
single-phase solid solution of five or more elements is supposedly rare and identifying the …
single-phase solid solution of five or more elements is supposedly rare and identifying the …
Machine learning paves the way for high entropy compounds exploration: challenges, progress, and outlook
Abstract Machine learning (ML) has emerged as a powerful tool in the research field of high
entropy compounds (HECs), which have gained worldwide attention due to their vast …
entropy compounds (HECs), which have gained worldwide attention due to their vast …
Modeling refractory high-entropy alloys with efficient machine-learned interatomic potentials: Defects and segregation
We develop a fast and accurate machine-learned interatomic potential for the Mo-Nb-Ta-VW
quinary system and use it to study segregation and defects in the body-centered-cubic …
quinary system and use it to study segregation and defects in the body-centered-cubic …
[HTML][HTML] Atomistic simulation of chemical short-range order in HfNbTaZr high entropy alloy based on a newly-developed interatomic potential
Chemical short-range order (CSRO) in high entropy alloys (HEAs) has attracted interests
recently and is believed to be capable for tuning their mechanical properties. However, the …
recently and is believed to be capable for tuning their mechanical properties. However, the …
Atomic-scale simulations in multi-component alloys and compounds: a review on advances in interatomic potential
F Wang, HH Wu, L Dong, G Pan, X Zhou… - Journal of Materials …, 2023 - Elsevier
Multi-component alloys have demonstrated excellent performance in various applications,
but the vast range of possible compositions and microstructures makes it challenging to …
but the vast range of possible compositions and microstructures makes it challenging to …
Hardness prediction of high entropy alloys with machine learning and material descriptors selection by improved genetic algorithm
S Li, S Li, D Liu, R Zou, Z Yang - Computational Materials Science, 2022 - Elsevier
With the coming of the age of artificial intelligence and big data, machine learning (ML) has
been showing powerful potentials for properties prediction of materials. For achieving …
been showing powerful potentials for properties prediction of materials. For achieving …