Superhard bulk high-entropy carbides with enhanced toughness via metastable in-situ particles
Despite the extremely high hardness of recently proposed high-entropy carbides (HECs),
the low fracture toughness limits their applications in harsh mechanical environment. Here …
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
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 …
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
High-entropy alloys (HEAs) have attracted great attention for many biomedical applications.
However, the nature of interatomic interactions in this class of complex multicomponent …
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
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 …
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 …
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 …
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
Zirconium carbide (ZrC) and hafnium carbide (HfC) have been identified as ultrahigh
temperature ceramics with excellent thermal conductivity performance. The temperature …
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 …
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
The electronic structure, interatomic bonding, and mechanical properties of two supercell
models of Ni-based superalloys are calculated using ab initio density functional theory …
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 …
(LaPrSmY) 0.5 O2-y used as catalysts for synthesis of dimethyl carbonate (DMC) from …