A5083509135- X-ray Diffraction in Crystallography
- Crystallization and Solubility Studies
- Material Dynamics and Properties
- Metallic Glasses and Amorphous Alloys
- nanoparticles nucleation surface interactions
- High-Temperature Coating Behaviors
- High Entropy Alloys Studies
- High-pressure geophysics and materials
- High Temperature Alloys and Creep
- Theoretical and Computational Physics
- Crystallography and molecular interactions
- Intermetallics and Advanced Alloy Properties
- Microstructure and mechanical properties
- Metal and Thin Film Mechanics
- Material Properties and Applications
- Ion-surface interactions and analysis
- Nuclear Materials and Properties
- Structural Behavior of Reinforced Concrete
- MXene and MAX Phase Materials
- 2D Materials and Applications
- Advanced Materials Characterization Techniques
- Robotics and Sensor-Based Localization
- Solidification and crystal growth phenomena
- Chalcogenide Semiconductor Thin Films
- Solid-state spectroscopy and crystallography
Hunan Institute of Science and Technology
2020-2024
The First Affiliated Hospital, Sun Yat-sen University
2024
Sun Yat-sen University
2024
Xihua University
2023-2024
South China University of Technology
2024
Hunan University
2016-2020
Changsha University
2018-2020
Existing semi-empirical formulas for predicting punching shear capacity in FRP bar reinforced concrete flat slabs without reinforcement often prove inaccurate and unstable. This is primarily due to limited modeling data, inadequate consideration of key variables neglect complex nonlinear relationships. To address these challenges, this study delves into the utilization advanced machine learning (ML) algorithms offer precise dependable estimates such structural components. The initially...
The structural evolution of tantalum during rapid cooling was investigated extensively, and its strong GFA originates from the intrinsic topologically close-packed structures that are ubiquitous in metallic melts possible essential units glasses.
At present, chips urgently need breakthrough development in the power consumption and integration. The chip integrates billions or even tens of electronic components, such as field effect transistor, diode so on. Therefore, research new low-power components with smaller size is an effective method to reduce improve In this paper, ferroelectric transistor (Fe-FET) based on two-dimensional heterostructuresα-In2Se3/ZnSe proposed. Based first principle, program will analyze stability band...
A two-dimensional AlP 3 /Cs Bi 2 I 6 Cl van der Waals heterostructure with a tunable band structure was designed and studied.
The solidification of pure aluminum has been studied by a large-scale molecular dynamic simulation. potential energy, position D, height H, and width W the first peak valley PDF curves, local structures were investigated. It was found that FCC-crystallization ability Al is so strong still crystal regions exist in amorphized solid. As temperature decreases, besides counter-intuitive increase Dp (D peak), Hp increases monotonically; Wp, Dv, Hv decrease only Wv decreases then increases. They...
Molecular dynamics (MD) simulations have been performed to study the effects of pressure (P) on crystallization tantalum (Ta) under different pressures from [0, 100] GPa. The average potential energy atoms in system, pair distribution function and largest standard cluster analysis (LSCA) employed analyze structure evolution. It was found that solidified state at 100 K changes complex crystal (β-Ta) through body-centered cubic (bcc) (α-Ta) hexagonal close-packed (hcp) with increasing...
High-entropy alloys (HEAs) and medium-entropy (MEAs) have attracted a great deal of attention for developing nuclear materials because their excellent irradiation tolerance. Herein, formation evolution radiation-induced defects in NiCoFe MEA pure Ni are investigated compared using molecular dynamics simulation. It is observed that the defect recombination rate ternary higher than Ni, which mainly because, process cascade collision, energy dissipated through atom displacement decreases with...
In the present paper, we have developed a modified analytic embedded atom method potential for chromium. To solve problem of negative Cauchy relation body-centered cubic metal at zero Kelvin temperature, modification term is added to total energy. Compared with available interatomic potentials, one easier be extended because its form. The fitted or input parameters are all well reproduced, and properties beyond fitting range (such as relation, melting point self-interstitial formation...
An interatomic potential for the Ni–Mo binary alloy focusing on irradiation has been constructed with modified analysis embedded atom method. The newly developed (Ni–Ni and Mo–Mo) potentials cross-interactions are fitted to ab initio results experimental data, including defect energies, formation energies of three stable phases. properties used fitting accurately reproduced by present both pure elements systems. Those beyond ranges also well predicted, demonstrating its excellent...
The primary microstructures in metallic liquids (or supercooled liquids) play a decisive role determining the final solidification pathway (crystallization or amorphization). However, question of which specific critical has attracted widespread attention from scholars. Some previous theoretical and experimental studies have suggested that icosahedron (ICO) clusters ICO short-range order) possess lower energy than crystals, high abundance can increase nucleation barrier, promoting amorphous...
With the discovery of two-dimensional (2D) ferroelectric materials such as CuInP
The short-range repulsive interactions of any force field must be modified to applicable for high energy atomic collisions because extremely far from equilibrium state when used in molecular dynamics (MD) simulations. In this work, the interaction a reactive (ReaxFF), describing Fe–Ni–Al alloy system, is well by adding tabulated function form based on Ziegler–Biersack–Littmark (ZBL) potential. covers three ranges, including short range, smooth and primordial range. range totally predominated...