Machine learning for alloys
Alloy modelling has a history of machine-learning-like approaches, preceding the tide of
data-science-inspired work. The dawn of computational databases has made the integration …
data-science-inspired work. The dawn of computational databases has made the integration …
Machine-learning and high-throughput studies for high-entropy materials
The combination of multiple-principal element materials, known as high-entropy materials
(HEMs), expands the multi-dimensional compositional space to gigantic stoichiometry. It is …
(HEMs), expands the multi-dimensional compositional space to gigantic stoichiometry. It is …
Atomistic simulations of dislocation mobility in refractory high-entropy alloys and the effect of chemical short-range order
Refractory high-entropy alloys (RHEAs) are designed for high elevated-temperature
strength, with both edge and screw dislocations playing an important role for plastic …
strength, with both edge and screw dislocations playing an important role for plastic …
Revealing the deformation mechanisms of< 110> symmetric tilt grain boundaries in CoCrNi medium-entropy alloy
D Hua, Q Zhou, Y Shi, S Li, K Hua, H Wang, S Li… - International Journal of …, 2023 - Elsevier
The synergy of multiple deformation mechanisms responsible for the excellent mechanical
properties attracts an increasing interest in CoCrNi medium entropy alloy (MEA). In this …
properties attracts an increasing interest in CoCrNi medium entropy alloy (MEA). In this …
Thermodynamics and kinetics of the cathode–electrolyte interface in all-solid-state Li–S batteries
Lithium–sulfur batteries (LSBs) are among the most promising energy storage technologies
due to the low cost and high abundance of S. However, the issue of polysulfide shuttling with …
due to the low cost and high abundance of S. However, the issue of polysulfide shuttling with …
Short-range ordering alters the dislocation nucleation and propagation in refractory high-entropy alloys
The role of short-range ordering (SRO) in the dislocation kinetics in refractory high-entropy
alloys (RHEAs) remains controversial. On one hand, it was shown by simulations that the …
alloys (RHEAs) remains controversial. On one hand, it was shown by simulations that the …
A perspective on corrosion of multi-principal element alloys
Metallic alloys are critical to essentially all advanced technologies and engineered systems.
The well-documented impact of corrosion (and oxidation) of alloys, remains a significant …
The well-documented impact of corrosion (and oxidation) of alloys, remains a significant …
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 …
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 …
Effect of nitrogen on mechanical properties of CoCrFeMnNi high entropy alloy at room and cryogenic temperatures
M Klimova, D Shaysultanov, A Semenyuk… - Journal of alloys and …, 2020 - Elsevier
Specimens of a CoCrFeMnNi high entropy alloy with different content of nitrogen (0.5–2.0
at.%) were prepared by induction melting. Microstructure and tensile mechanical behavior of …
at.%) were prepared by induction melting. Microstructure and tensile mechanical behavior of …