Thermodynamics up to the melting point in a TaVCrW high entropy alloy: Systematic study aided by machine learning potentials

Y Zhou, P Srinivasan, F Körmann, B Grabowski… - Physical Review B, 2022 - APS
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 …

Influence of chemistry and temperature on mechanical behavior and deformation mechanisms of refractory high-entropy alloys: an integrated simulation-modeling …

J Li, S Ren, B Liu, PK Liaw, Q Fang - Acta Mechanica Sinica, 2024 - Springer
The equiatomic refractory high-entropy alloys (RHEAs) exhibit the excellent performance at
high temperatures, breaking through the upper limits of operating temperatures in the …

Cluster-model-embedded first-principles study on structural stability of body-centered-cubic-based Ti-Zr-Hf-Nb refractory high-entropy alloys

J Yuan, Y Liu, Z Li, M Wang, Q Wang… - Journal of Phase Equilibria …, 2021 - Springer
Refractory high-entropy alloys (RHEAs) with body-centered-cubic (BCC) structure are a new
class of alloy materials and have great potential for high temperature applications. The …

[HTML][HTML] Influence of grain size on mechanical properties of a refractory high entropy alloy under uniaxial tension

O Deluigi, F Valencia, DR Tramontina, N Amigo… - Crystals, 2023 - mdpi.com
There is a growing interest in High Entropy Alloys (HEAs) due to their outstanding
mechanical properties. Most simulation studies have focused on face-centered cubic (fcc) …

[HTML][HTML] Atomistic clustering-ordering and high-strain deformation of an Al0.1CrCoFeNi high-entropy alloy

A Sharma, P Singh, DD Johnson, PK Liaw… - Scientific reports, 2016 - nature.com
Computational investigations of structural, chemical, and deformation behavior in high-
entropy alloys (HEAs), which possess notable mechanical strength, have been limited due …

[HTML][HTML] Effect of Zr addition on the local structure and mechanical properties of Ti–Ta–Nb–Zr refractory high-entropy alloys

G Ji, Z Zhou, F Meng, X Yang, R Sheng, J Qiao… - Journal of Materials …, 2022 - Elsevier
Solid solution strengthening is the major strengthening mechanism that accounts for the
high strength of single-phase body-centered cubic (BCC) refractory high-entropy alloys …

Computational exploration of biomedical HfNbTaTiZr and Hf0. 5Nb0. 5Ta0. 5Ti1. 5Zr refractory high-entropy alloys

U Bhandari, H Ghadimi, C Zhang, F Gao… - Materials Research …, 2021 - iopscience.iop.org
Refractory high entropy alloys (RHEAs) have been proven to be a potential candidate in the
biomedical field due to their balanced mechanical properties and biocompatible …

Ab initio study of AlxMoNbTiV high-entropy alloys

P Cao, X Ni, F Tian, LK Varga… - Journal of Physics …, 2015 - iopscience.iop.org
Abstract The Al x MoNbTiV (x= 0–1.5) high-entropy alloys (HEAs) adopt a single solid-
solution phase, having the body centered cubic (bcc) crystal structure. Here we employ the …

Structural stability and mechanical properties of B2 ordered refractory AlNbTiVZr high entropy alloys

S Qiu, SM Chen, N Naihua, J Zhou, QM Hu… - Journal of Alloys and …, 2021 - Elsevier
Local chemical ordering influences significantly the mechanical properties of refractory high
entropy alloys. In this work, the effects of local chemical ordering on the structural stability …

Sparse random Fourier features based interatomic potentials for high entropy alloys

G Dhaliwal, A Anand, PB Nair, CV Singh - arXiv preprint arXiv:2302.06844, 2023 - arxiv.org
Computational modeling of high entropy alloys (HEA) is challenging given the scalability
issues of Density functional theory (DFT) and the non-availability of Interatomic potentials …