Short-range order in face-centered cubic VCoNi alloys
Concentrated solid solutions including the class of high entropy alloys (HEAs) have attracted
enormous attention recently. Among these alloys a recently developed face-centered cubic …
enormous attention recently. Among these alloys a recently developed face-centered cubic …
[HTML][HTML] Ab initio vibrational free energies including anharmonicity for multicomponent alloys
The unique and unanticipated properties of multiple principal component alloys have
reinvigorated the field of alloy design and drawn strong interest across scientific disciplines …
reinvigorated the field of alloy design and drawn strong interest across scientific disciplines …
[HTML][HTML] A general and transferable deep learning framework for predicting phase formation in materials
Abstract Machine learning has been widely exploited in developing new materials.
However, challenges still exist: small dataset is common for most tasks; new datasets …
However, challenges still exist: small dataset is common for most tasks; new datasets …
Phase decomposition and strengthening in HfNbTaTiZr high entropy alloy from first-principles calculations
SM Chen, ZJ Ma, S Qiu, LJ Zhang, SZ Zhang, R Yang… - Acta Materialia, 2022 - Elsevier
Phase decomposition influences significantly the mechanical properties of high entropy
alloys (HEAs). Prediction of the phase decomposition of HEA is greatly hindered by the …
alloys (HEAs). Prediction of the phase decomposition of HEA is greatly hindered by the …
[HTML][HTML] Multi-scale investigation of short-range order and dislocation glide in MoNbTi and TaNbTi multi-principal element alloys
Refractory multi-principal element alloys (RMPEAs) are promising materials for high-
temperature structural applications. Here, we investigate the role of short-range ordering …
temperature structural applications. Here, we investigate the role of short-range ordering …
[HTML][HTML] Ab initio modeling of the energy landscape for screw dislocations in body-centered cubic high-entropy alloys
In traditional body-centered cubic (bcc) metals, the core properties of screw dislocations play
a critical role in plastic deformation at low temperatures. Recently, much attention has been …
a critical role in plastic deformation at low temperatures. Recently, much attention has been …
Interplay between magnetism and short-range order in medium-and high-entropy alloys: CrCoNi, CrFeCoNi, and CrMnFeCoNi
The impact of magnetism on predicted atomic short-range order in three medium-and high-
entropy alloys is studied using a first-principles all-electron Landau-type linear-response …
entropy alloys is studied using a first-principles all-electron Landau-type linear-response …
Short-range order and compositional phase stability in refractory high-entropy alloys via first-principles theory and atomistic modeling: NbMoTa, NbMoTaW, and …
CD Woodgate, JB Staunton - Physical Review Materials, 2023 - APS
Using an all-electron, first-principles, Landau-type theory, we study the nature of short-range
order and compositional phase stability in equiatomic refractory high-entropy alloys …
order and compositional phase stability in equiatomic refractory high-entropy alloys …
Monte Carlo simulation of order-disorder transition in refractory high entropy alloys: A data-driven approach
High entropy alloys (HEAs) are a series of novel materials that demonstrate many
exceptional mechanical properties. To understand the origin of these attractive properties, it …
exceptional mechanical properties. To understand the origin of these attractive properties, it …
[HTML][HTML] Frontiers in atomistic simulations of high entropy alloys
The field of atomistic simulations of multicomponent materials and high entropy alloys is
progressing rapidly, with challenging problems stimulating new creative solutions. In this …
progressing rapidly, with challenging problems stimulating new creative solutions. In this …