A5101789969- High Entropy Alloys Studies
- High-Temperature Coating Behaviors
- Nuclear Materials and Properties
- High Temperature Alloys and Creep
- Crystal Structures and Properties
- Advanced Materials Characterization Techniques
- Fusion materials and technologies
- Metal and Thin Film Mechanics
- Additive Manufacturing Materials and Processes
- Solid State Laser Technologies
- Luminescence Properties of Advanced Materials
- Advanced materials and composites
- Solid-state spectroscopy and crystallography
- Photorefractive and Nonlinear Optics
- Intermetallics and Advanced Alloy Properties
- High-pressure geophysics and materials
- Heat Transfer and Boiling Studies
- Hydrogen embrittlement and corrosion behaviors in metals
- Topic Modeling
- Aluminum Alloy Microstructure Properties
- Crystallization and Solubility Studies
- Machine Learning in Materials Science
- Metallurgical and Alloy Processes
- Nuclear reactor physics and engineering
- Electrocatalysts for Energy Conversion
City University of Hong Kong
2021-2024
Qufu Normal University
2023-2024
Chinese Academy of Sciences
2013-2019
Abstract High-entropy ceramics (HECs) have shown great application potential under demanding conditions, such as high stresses and temperatures. However, the immense phase space poses challenges for rational design of new high-performance HECs. In this work, we develop machine-learning (ML) models to discover high-entropy ceramic carbides (HECCs). Built upon attributes HECCs their constituent precursors, our ML demonstrate a prediction accuracy (0.982). Using well-trained models, evaluate...
Metallic materials are mostly susceptible to hydrogen embrittlement (HE), which severely deteriorates their mechanical properties and causes catastrophic failures with poor ductility. In this study, we found that such a long-standing HE problem can be effectively eliminated in the Fex(CrCoNi)1-x face-centered-cubic (fcc) high-entropy alloys (HEAs) by triggering localized segregation of Cr at grain boundaries (GBs). It was revealed increasing Fe concentration from 2.5 25 at. % leads...
Short-range order (SRO) is an important structural characteristic in multiprincipal element alloys (MPEAs) that plays a crucial role their superior mechanical and physical properties. The development of SRO usually tangled with evolution associated diffusion-induced atomic transport, making it challenging to accurately determine the diffusion coefficients MPEAs based on conventional modeling techniques. In this study, we combine machine learning kinetic Monte Carlo compute self-diffusion...
High-entropy alloys (HEAs) are a new class of metallic materials that demonstrate potentially very useful functional and structural properties. Sluggish diffusion, one the core effects responsible for their exotic properties, has been intensively debated. Here, we combination machine learning (ML) kinetic Monte Carlo (kMC) can uncover complicated links between rough potential energy landscape (PEL) atomic transport in HEAs. The ML model accurately represents local environment dependence PEL,...
Ordered L12 γ' Ni3Al intermetallics are essential strengthening components to maintain the high strength of Ni-based superalloys and recently developed entropy alloys at elevated temperatures. Under service conditions, structural disorder is usually encountered in these intermetallics, resulting significant loss their functionality. Thus, retaining degree order vital for long-term reliability serviceability. In this study, atomistic simulations rate equation analysis employed highlight a...
Abstract It is extremely challenging to accomplish second‐harmonic generation (SHG) in the whole mid‐infrared (MIR) region for oxide crystals due their short IR absorption cutoff wavelengths. Herein, a new MIR nonlinear optical (NLO) crystal of K 4 ZnV 5 O 15 Cl (KZVC) designed and synthesized by aliovalent substitution [V III ] with [Zn II Cl] based on 2 (VO)(V 7 ) matrix. KZVC features an ordered 2D [ZnV ∞ layered structure comprising [ZnO / [VO square pyramids tetrahedron as functional...
Multi-principal element alloys (MPEAs), including high entropy alloys, show exceptional mechanical properties and corrosion resistance. These unusual are mostly attributed to their particular diffusion behaviors, such as sluggish diffusion. However, this phenomenon is still controversial. Although state-of-the-art simulations report that the percolation effect plays a crucial role in triggering binary whether correlation could be generalized broad class of MPEAs unknown. In work, we combine...
Novel bismuth selenite iodate oxide BiSeIO6 was synthesized in a mild hydrothermal condition. crystallized the polar space group Pna21 of an orthorhombic system. The crystal structure features three-dimensional framework composed three types lone pair cations with distorted BiO7 polyhedra, SeO3 pyramids, and IO3 pyramids one structure. Interestingly, exhibits strong phase-matchable second-harmonic generation (SHG) ∼6 times that KH2PO4 (KDP). Dipole moment analysis shows all local acentric...
Abstract Developing high-performance multicomponent ceramics, which are promising in solving challenges posed by emerging technologies, shows grand difficulties because of the immense compositional space and complex local distortions. In this work, an accurate machine learning (ML) model built upon ab initio database is developed to predict mechanical properties structural distortions transition metal carbides (MTMCs). The MTMCs thoroughly explored well-trained model. Combined with...