A5023385758- High-pressure geophysics and materials
- Boron and Carbon Nanomaterials Research
- Advanced ceramic materials synthesis
- Energetic Materials and Combustion
- Advanced materials and composites
- Inorganic Fluorides and Related Compounds
- Thermal and Kinetic Analysis
- MXene and MAX Phase Materials
- X-ray Diffraction in Crystallography
- Chemical Thermodynamics and Molecular Structure
- Crystallization and Solubility Studies
- Magnetic and transport properties of perovskites and related materials
- Gas Sensing Nanomaterials and Sensors
- Iron-based superconductors research
- Glass properties and applications
- Electronic and Structural Properties of Oxides
- Metal and Thin Film Mechanics
- Luminescence Properties of Advanced Materials
- Advanced Chemical Physics Studies
- Physics of Superconductivity and Magnetism
- Semiconductor materials and interfaces
- Microwave Dielectric Ceramics Synthesis
- Intermetallics and Advanced Alloy Properties
- Phase Equilibria and Thermodynamics
- Nonlinear Optical Materials Research
Southwest Jiaotong University
2013-2024
Sichuan University
2009-2010
We fabricate transparent MgAl2O4 nano-ceramics, which are composed of 40 nm grains, by sintering under high pressure and low temperatures. Analysis the grain size, differential strains, yield strength porosity obtained from transmission electron microscopy x-ray diffraction indicates that pores at boundary triple junctions can retard migration thus prevent growth. It is found relatively density for nano-ceramics produced low-temperature attributed mainly to large energy in exteriors. The...
Nanoindentation tests were performed on nanostructured transparent magnesium aluminate (MgAl2O4) ceramics to determine their mechanical properties. These carried out samples at different applied loads ranging from 300 9,000 μN. The elastic recovery for MgAl2O4 was derived the force-depth data. results reveal a remarkable enhancement in plastic deformation as load increases After nanoindetation tests, scanning probe microscope images show no cracking ceramics, which confirms absence of any...
The bond breaking of energetic materials under the action temperature and pressure has always been a key step in understanding explosive mechanism materials. In this work, we use mean square shift atoms theoretical position chemical bonds to give each insensitive high-energy materials, 1,1-diamino-2,2-dinitroethylene (α-FOX-7) 1,3,5-triamino-2,4,6-trinitrobenzene (TATB), at 0 30 GPa. calculation results show that sequence α-FOX-7 TATB selected range is N–H, N–O, C–NO2, C–NH2. At same time,...
We report here experimental results of yield strength and stress relaxation measurements transparent MgAl2O4 nano-ceramics at high pressure temperature. During compression ambient temperature, the differential strain deduced from peak broadening increased significantly with up to 2 GPa, no clear indication saturation. However, by then, warming sample above 400°C under 4 was obviously observed, all subsequent plastic deformation cycles are characterized again broadening. Our reveal a...
The structural, electronic and vibrational properties of solid carbon dioxide phases (I, II, III, IV) under high pressure are studied using first-principles calculations. calculated structural parameters in good agreement with the experimental values. third-order Birch-Murnaghan equation state is fitted, corresponding obtained. We obtained phase boundary points each plotted diagram dioxide. influence on band structure density states studied. four were detail, infrared Raman spectra It can be...
Herein, the pressure dependence of structural, mechanical, and electronic properties is investigated for Fe 2 Si, FeSi, 3 α‐FeSi , β‐FeSi 5 Si 11 in range 0–100 GPa based on density functional theory. The calculated lattice constants are good agreement with experimental results. order thermodynamic stability seven structures FeSi > Si. analyzed including states band structures. mechanical studied thoroughly: elastic obtained under different pressures; considered pressures evaluated by...
Based on the first-principles density-functional theory, structural, electronic, elastic and dielectric properties of RbLi 2 (NH[Formula: see text], LiH LiNH are calculated. We have analyzed bond information in detail, where atom Li crystal is represented ionic characteristics mostly. The small covalent behaviors also captured between others. with tiny bonds obviously beneficial to electrons for storage capacity transferring. mechanical three crystals reveal that has a strong resistance...
Abstract The experimental determination of the superconducting transition requires observation emergence a zero-resistance and perfect diamagnetism state. Based on close relationship between temperature ( <?CDATA $T_{\mathrm{c}}$ ?> ) electron density states (DOS), we take two typical materials Hg ZrTe 3 as samples calculate their DOS vs. under different pressures by using first-principle molecular dynamics simulations. According to analysis calculation results, main contributors that induce...
Abstract Due to the diversity of solid nitrogen structure, its phase transition has been a hot topic for many scientists. Herein, we first studied structural softening rhombohedral under pressure using first-principles calculations. Then, new criterion, Egret was proposed predicting whole process from beginning end nitrogen. Based on discussion acoustic phonons, concluded that starts k-point F along [-1, -1, 0] direction in a-axis, and velocity is slow. Also, use criterion by us predict...
Abstract In recent years, the important energetic material triaminoguanidinium nitrate (TAGN) has been widely used, and process of synthesizing TAGN become more perfect. However, there are relatively few theoretical studies on TAGN. This paper uses first-principles calculations to systematically study crystal structure, electronic, vibrational thermodynamic properties The calculation results show that calculated unit cell parameters consistent with values obtained through X-ray diffraction...