A5100361459- Metallic Glasses and Amorphous Alloys
- Material Dynamics and Properties
- Theoretical and Computational Physics
- Glass properties and applications
- nanoparticles nucleation surface interactions
- Microstructure and mechanical properties
- High-pressure geophysics and materials
- Solidification and crystal growth phenomena
- Chemical Thermodynamics and Molecular Structure
- Metal and Thin Film Mechanics
- Metallurgical Processes and Thermodynamics
- Thermodynamic and Structural Properties of Metals and Alloys
- Aluminum Alloy Microstructure Properties
- Catalytic Cross-Coupling Reactions
- Phase-change materials and chalcogenides
- Ion-surface interactions and analysis
- Laser-Ablation Synthesis of Nanoparticles
- Phase Equilibria and Thermodynamics
- High-Temperature Coating Behaviors
- Boron and Carbon Nanomaterials Research
- Magnetic properties of thin films
- High Entropy Alloys Studies
- X-ray Diffraction in Crystallography
- Mineralogy and Gemology Studies
- 2D Materials and Applications
Georgia Institute of Technology
2016-2025
Peking University
2010-2025
Guangxi Academy of Sciences
2025
The People's Hospital of Guangxi Zhuang Autonomous Region
2025
Peking University Third Hospital
2022-2025
Cixian People's Hospital
2025
Northeast Agricultural University
2020-2024
Irvine University
2024
University of California, Irvine
2024
Tsinghua University
2011-2023
We present a simple approach to calculate the solid-liquid interfacial free energy. This new method is based on classical nucleation theory. Using molecular dynamics simulation, we employ spherical crystal nuclei embedded in supercooled liquids create an ideal model of homogeneous nucleation. The energy extracted by fitting relation between critical nucleus size and reciprocal undercooling temperature. orientationally averaged found be 0.302±0.002 (in standard LJ unit). temperature...
An efficient oxidative Mannich reaction between tertiary amines and unmodified methyl ketones has been developed, using copper salts as the catalyst O(2) oxidant.
We present a general scheme to calculate the second-, third-, and fourth-order elastic constants of single crystals with arbitrary symmetry by employing ab initio density-functional theory. The method utilizes series homogeneous deformation strains applied crystalline system obtain internal energy-strain relations. From nonlinear least-squares fitting, we from coefficients fitted polynomials energy functions. this first four fcc metal crystals, Cu, Al, Au, Ag. calculated are compared...
The shear bands in a model amorphous CuZr metallic glass are examined using atomistic simulations. localized zones characterized at atomic scales by the nearest-neighbor bond rotation angle, length, volume, and potential energy. It is shown that band indeed region with liquidlike structure different thermomechanical properties. Shear formation could be result from both local heating free volume generation. variation of properties temperature strain rate also briefly reported.
A pyridylideneamide ligand with variable donor properties owing to a pronounced zwitterionic and neutral diene-type resonance structure was used as dynamic at Cp* iridium center facilitate water oxidation catalysis, reaction that requires the stabilization of variety different states is key for developing an efficient solar fuel device. The imparts high activity (nearly three-fold increase turnover frequency compared benchmark systems), exceptionally numbers, which indicate robust catalytic...
Voronoi tessellation has been used widely to approximate and model various cellular structures stochastic patterns appearing in nature. In this work, we present an extended version of the method that partitions space with certain constraints commonly encountered either experimental measurements or theoretical models, such as cell volume size distribution. The new is implemented using inverse Monte Carlo method. We calculate topological statistical properties tessellated cells several systems...
Quinazoline and its derivatives have drawn much attention in the development of potential antitumor agents. Here, we synthesized a series 1,2,3-triazole quinazoline at C6 position evaluated for their cytotoxic activity various human cancer cell lines. We found that compound 5a was most to HCT-116 cells (IC50, 0.36 μM). Target profiling directly binds both autophagy-associated protein SQSTM1/P62 E3 ligase RNF168, promoting interaction. Consistently, treatment induces decrease RNF168-mediated...
Shear band dominated strong strain localization is known for causing brittleness in metallic glasses. By pre-patterning glassy regions with different mechanical properties the geometry of a honeycomb lattice, we show that can be alleviated or even eradicated. The underlying mechanisms this new design composite structural heterogeneity relate to microstructure parameters such as width and patterned regions. optimal toughness achieved through redistributing heterogeneous components local shear...
Abstract Hydrogen embrittlement in metals seriously threatens the safe and durable operation of hydrogen energy. Developing efficient robust barriers is a viable solution to solve this issue but remains significant challenge. An amorphous (ErAlCrZrTi)O high‐entropy nanofilm successfully fabricated via sol‐gel on steel identified as highly barrier. At 270 nm thickness, achieves ultra‐low permeability 1.35 × 10 −15 mol m −1 s Pa −0.5 , enhancing resistance by 2738 times at 500 °C compared with...
Radiotherapy (RT) is a primary treatment for breast cancer, but its effectiveness often compromised by hypoxia and intrinsic resistance mechanisms. The F-box protein JFK overexpressed in cancer associated with reduced radiosensitivity, specific inhibitors are currently unavailable. Herein, we developed spherical nanoparticles (SNP-JC) designed to co-deliver small interfering RNA targeting catalase the tumor, aiming silence alleviate overcome RT resistance. Positron emission tomography...