A5050829850- Metal and Thin Film Mechanics
- Advanced materials and composites
- Intermetallics and Advanced Alloy Properties
- Nuclear Materials and Properties
- Fusion materials and technologies
- Microstructure and mechanical properties
- Boron and Carbon Nanomaterials Research
- Hydrogen Storage and Materials
- MXene and MAX Phase Materials
- Aluminum Alloys Composites Properties
- High Temperature Alloys and Creep
- Superconductivity in MgB2 and Alloys
- Magnetic properties of thin films
- Microstructure and Mechanical Properties of Steels
- Advanced Chemical Physics Studies
- Hydrogen embrittlement and corrosion behaviors in metals
- Copper Interconnects and Reliability
- Metallurgical and Alloy Processes
- Advanced ceramic materials synthesis
- Catalytic Processes in Materials Science
- Ammonia Synthesis and Nitrogen Reduction
- Aluminum Alloy Microstructure Properties
- Magnetic Properties of Alloys
- Rare-earth and actinide compounds
- Metallic Glasses and Amorphous Alloys
Central South University
2015-2024
Jinan University
2020
Nanchang Hangkong University
2014-2016
Changsha University
2016
State Key Laboratory of Powder Metallurgy
2008-2014
Northwest Institute For Non-Ferrous Metal Research
2008
The University of Texas at Arlington
2006
Tsinghua University
2002-2004
Delft University of Technology
1989-1992
Kunming University
1988
Titanium hydrides TiHx (x = 1, 1.25, 1.5, 1.75, and 2) with the cubic fluorite-type (face-centered cubic, δ phase) face-centered-tetragonal (ε phase, c/a < 1; γ > 1) structures were systematically investigated compared through first-principles calculation. The H location of was carefully determined by comparing calculated properties experimental results. Moreover, mechanical ε phases found to play an important role in brittle/ductile behavior phases. In addition, thermodynamic quantities...
The temperature-dependent thermodynamic and mechanical properties of TiC are systematically investigated by means a combination density-functional theory, quasi-harmonic approximation, thermal electronic excitation. It is found that the Debye model should be pertinent to reflect TiC, elastic decease almost linearly with increase temperature. Calculations also reveal possesses pronounced directional pseudogap across Fermi level, mainly due strong hybridization Ti 3d C 2p states. Moreover,...
An embedded-atom potential for the equilibrium immiscible Cu-Ta system is constructed with an important aid of first principles calculation, which provides some physical properties two nonequilibrium CuTa and ${\mathrm{Cu}}_{3}\mathrm{Ta}$ alloy phases fitting potential. Applying potential, molecular dynamics simulations a Cu-based solid solution model reveal that when Ta solute atoms exceed critical value 30 at. % in Cu, enthalpy elevated up to high level, thus triggering...
The Fe-W system is systematically investigated through a combined use of first-principles calculation, cluster expansion, special quasirandom structures, and experiments. It revealed that the ferromagnetic state BCC solid solution has lower heat formation than its nonmagnetic within entire composition range, intermetallic λ-Fe2W μ-Fe7W6 phases are energetically favorable with negative heats formation. Calculations also show much coefficient thermal expansion mechanical mixture, descending...
Ab initio calculation and Boltzmann transport equation have been integrated to find the fundamental influences of trigonal transformation on band structures thermoelectric performances antimony. Calculations reveal that antimony could keep its semimetal feature within c/a range 2.27–2.82 two transitions under are revealed for first time. Moreover, has a significant influence antimony, Seebeck coefficients electrons holes reach peaks at points 2.72 2.57, respectively. The calculated results...
Sc as one of the most important microalloying elements in advanced Al alloys has gained tremendous attentions recent years. The newly identified Sc-rich clusters demonstrate new strengthening effect and thus entail a comprehensive understanding on their phase relationship. In this work, various transitions binary Al-Sc system are systematically investigated by first-principles calculation together with cluster expansion. results show transition from FCC to HCP bypass BCC structure function...