Influence of short-range order on diffusion in multiprincipal element alloys from long-time atomistic simulations

B Xu, S Ma, S Huang, J Zhang, Y **ong, H Fu… - Physical Review …, 2023 - APS
Short-range order (SRO) is an important structural characteristic in multiprincipal element
alloys (MPEAs) that plays a crucial role in their superior mechanical and physical properties …

Exploring high entropy alloys: A review on thermodynamic design and computational modeling strategies for advanced materials applications

PI Odetola, BJ Babalola, AE Afolabi, US Anamu… - Heliyon, 2024 - cell.com
In the quest for materials that can withstand the rigors of modern engineering applications,
high-entropy alloys (HEAs) have emerged as a frontier in material science owing to their …

Machine learning based on-the-fly kinetic Monte Carlo simulations of sluggish diffusion in Ni-Fe concentrated alloys

W Huang, XM Bai - Journal of Alloys and Compounds, 2023 - Elsevier
Defect diffusion in concentrated alloys plays a key role on governing their unique
mechanical and physical properties. In such alloys, defect diffusion depends on its complex …

A Review of Cluster Dynamics in Studying Radiation Damage: Dominant Factors and Practical Implications

Y **ong, S Huang, J Zhang, S Ma, B Xu, H Fu, X **ang… - JOM, 2024 - Springer
Radiation damage to structural materials is a pivotal concern impacting the safety and
stability of nuclear energy systems. The microstructure alterations induced by irradiation …

Rigorous computation of short-range order unifies its controversial effects in complex concentrated alloys

Z Pei, X Zhang, M Eisenbach, PK Liaw - Acta Materialia, 2025 - Elsevier
Direct experimental observations of chemical short-range order (SRO) in complex
concentrated alloys (CCAs) have triggered high interest. However, the reported effects of …

Investigating the synergistic benefits of Al on Cr (III) in the passive films of FeCoNi-Cr-Al CCAs in sulfuric acid

D Sur, NC Smith, PF Connors, WH Blades, ML Taheri… - Electrochimica …, 2025 - Elsevier
The synergistic effects of Al on Cr (III) passivation in a family of (FeCoNi) 100-xy Cr x Al y
(at.%) complex concentrated alloys (CCAs), where x=(0, 4, 10, 13, 16) and y=(0, 3, 6, 9, 13) …

Interplay between thermal vacancy and short-range order in complex concentrated alloys

A Manzoor, Y Zhang - Journal of Alloys and Compounds, 2024 - Elsevier
This work investigates the interplay between thermal vacancy and short-range order (SRO)
in complex concentrated alloys (CCAs) for the purposes of accurately predicting SRO …

Mechanism of sluggish diffusion under rough energy landscape

B Xu, J Zhang, Y **ong, S Ma, Y Osetsky… - Cell Reports Physical …, 2023 - cell.com
High-entropy alloys (HEAs) are a new class of metallic materials that demonstrate potentially
very useful functional and structural properties. Sluggish diffusion, one of the core effects …

High-throughput machine learning-Kinetic Monte Carlo framework for diffusion studies in Equiatomic and Non-equiatomic FeNiCrCoCu high-entropy alloys

W Huang, D Farkas, XM Bai - Materialia, 2023 - Elsevier
Sluggish diffusion is postulated as an underlying mechanism for many unique properties in
high-entropy alloys (HEAs). However, its existence remains a subject of debate. Due to the …

Effect of local chemical order on monovacancy diffusion in CoNiCrFe high-entropy alloy

SA Ibrahim, T Shi, Y Zhou, J Li, C Zhang… - Journal of Nuclear …, 2024 - Elsevier
High-entropy alloys (HEAs) are promising materials for nuclear applications. Understanding
the influence of local chemical order (LCO) on defect diffusion and evolution in these alloys …