Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic study aided by machine learning potentials
Multi-principal-component alloys have attracted great interest as a novel paradigm in alloy
design, with often unique properties and a vast compositional space auspicious for materials …
design, with often unique properties and a vast compositional space auspicious for materials …
A machine learning interatomic potential for high entropy alloys
High entropy alloys (HEAs) possess a vast compositional space, providing exciting
prospects for tailoring material properties yet also presenting challenges in their rational …
prospects for tailoring material properties yet also presenting challenges in their rational …
[HTML][HTML] High-throughput calculations for high-entropy alloys: a brief review
High-entropy alloys (HEAs) open up new doors for their novel design principles and
excellent properties. In order to explore the huge compositional and microstructural spaces …
excellent properties. In order to explore the huge compositional and microstructural spaces …
Machine learning for high-entropy alloys: Progress, challenges and opportunities
High-entropy alloys (HEAs) have attracted extensive interest due to their exceptional
mechanical properties and the vast compositional space for new HEAs. However …
mechanical properties and the vast compositional space for new HEAs. However …
[HTML][HTML] First-principles-based prediction of yield strength in the RhIrPdPtNiCu high-entropy alloy
High-entropy alloys are random alloys with five or more components, often near equi-
composition, that often exhibit excellent mechanical properties. Guiding the design of new …
composition, that often exhibit excellent mechanical properties. Guiding the design of new …
[HTML][HTML] Impact of lattice relaxations on phase transitions in a high-entropy alloy studied by machine-learning potentials
Recently, high-entropy alloys (HEAs) have attracted wide attention due to their extraordinary
materials properties. A main challenge in identifying new HEAs is the lack of efficient …
materials properties. A main challenge in identifying new HEAs is the lack of efficient …
Database development and Calphad calculations for high entropy alloys: Challenges, strategies, and tips
The development of a reliable multicomponent thermodynamic database for high entropy
alloys (HEAs) is a daunting task and it faces new challenges comparing to the development …
alloys (HEAs) is a daunting task and it faces new challenges comparing to the development …
[HTML][HTML] Computationally-driven engineering of sublattice ordering in a hexagonal AlHfScTiZr high entropy alloy
Multi-principle element alloys have enormous potential, but their exploration suffers from the
tremendously large range of configurations. In the last decade such alloys have been …
tremendously large range of configurations. In the last decade such alloys have been …
[HTML][HTML] Ab initio phase stabilities and mechanical properties of multicomponent alloys: A comprehensive review for high entropy alloys and compositionally complex …
Multicomponent alloys with multiple principal elements including high entropy alloys (HEAs)
and compositionally complex alloys (CCAs) are attracting rapidly growing attention. The …
and compositionally complex alloys (CCAs) are attracting rapidly growing attention. The …
Unveiling the thermodynamic driving forces for high entropy alloys formation through big data ab initio analysis
The fundamental thermodynamic driving forces beyond the existence of high entropy alloys
(HEAs) are still not firmly understood. Here, using thermodynamic modeling combining ab …
(HEAs) are still not firmly understood. Here, using thermodynamic modeling combining ab …