Superhard bulk high-entropy carbides with enhanced toughness via metastable in-situ particles

J Hu, Q Yang, S Zhu, Y Zhang, D Yan, K Gan… - Nature …, 2023 - nature.com
Despite the extremely high hardness of recently proposed high-entropy carbides (HECs),
the low fracture toughness limits their applications in harsh mechanical environment. Here …

Towards quantum-chemical level calculations of SARS-CoV-2 spike protein variants of concern by first principles density functional theory

WY Ching, P Adhikari, B Jawad, R Podgornik - Biomedicines, 2023 - mdpi.com
The spike protein (S-protein) is a crucial part of the severe acute respiratory syndrome
coronavirus 2 (SARS-CoV-2), with its many domains responsible for binding, fusion, and …

Porosity modeling in a TiNbTaZrMo high-entropy alloy for biomedical applications

S San, P Adhikari, R Sakidja, J Brechtl, PK Liaw… - RSC …, 2023 - pubs.rsc.org
High-entropy alloys (HEAs) have attracted great attention for many biomedical applications.
However, the nature of interatomic interactions in this class of complex multicomponent …

Effect of Delta and Omicron mutations on the RBD-SD1 domain of the spike protein in SARS-CoV-2 and the Omicron mutations on RBD-ACE2 interface complex

WY Ching, P Adhikari, B Jawad… - International Journal of …, 2022 - mdpi.com
The receptor-binding domain (RBD) is the essential part in the Spike-protein (S-protein) of
SARS-CoV-2 virus that directly binds to the human ACE2 receptor, making it a key target for …

Unveiling the role of carbon vacancies in microstructure evolution and mechanical properties of high-entropy carbides

J Hu, Y Zhang, D Yan, Z Li - Journal of the European Ceramic Society, 2025 - Elsevier
We unveil the role of carbon vacancies and propose to tailor its concentration for enhancing
mechanical performance in high-entropy carbides (HECs). This is demonstrated by …

High entropy carbide (ZrNbTiCr) C ceramic composite coating with fine grains fabricated by plasma spraying

W Sun, Y Yang, Y Wang - Surface and Coatings Technology, 2024 - Elsevier
Despite the high hardness of high-entropy carbides, their applications are limited by their
low fracture toughness. This study reports the successful preparation of two high-entropy …

Temperature‐dependent elastic and thermodynamic properties of ZrC, HfC, and their solid solutions (Zr0.5Hf0.5)C

J Jiang, Z Shi, Arramel, J Zhang… - Journal of the American …, 2023 - Wiley Online Library
Zirconium carbide (ZrC) and hafnium carbide (HfC) have been identified as ultrahigh
temperature ceramics with excellent thermal conductivity performance. The temperature …

Tuning interfacial wettability in high‐entropy cemented carbides for enhanced mechanical performance

J Hu, Q Yang, W Wu, Y Zhang… - Journal of the American …, 2024 - Wiley Online Library
This study investigated three newly developed high‐entropy cemented carbides (HECCs)
with high‐entropy carbides (HECs) as the hard phase and Co as the binder. Accordingly, the …

Ab Initio Simulation of Structure and Properties in Ni-Based Superalloys: Haynes282 and Inconel740

WY Ching, S San, C Zhou, R Sakidja - Materials, 2023 - mdpi.com
The electronic structure, interatomic bonding, and mechanical properties of two supercell
models of Ni-based superalloys are calculated using ab initio density functional theory …

Direct synthesis of dimethyl carbonate from methanol and carbon dioxide catalyzed by cerium-based high-entropy oxides

Y Gu, Q Cheng, X Li, S Zhang, Z Wang, Y Wang - Catalysis Letters, 2024 - Springer
Fluorite high entropy oxides (HEOs) were synthesized by anchoring method and Ce0. 5
(LaPrSmY) 0.5 O2-y used as catalysts for synthesis of dimethyl carbonate (DMC) from …