A5075642371- Metallic Glasses and Amorphous Alloys
- Material Dynamics and Properties
- Intermetallics and Advanced Alloy Properties
- Glass properties and applications
- Aluminum Alloys Composites Properties
- Thermodynamic and Structural Properties of Metals and Alloys
- Phase-change materials and chalcogenides
- Magnetic Properties of Alloys
- Magnetic and transport properties of perovskites and related materials
- Rare-earth and actinide compounds
- Quasicrystal Structures and Properties
- Magnesium Alloys: Properties and Applications
- Theoretical and Computational Physics
- Iron-based superconductors research
- Hydrogen Storage and Materials
- Advancements in Battery Materials
- Nuclear Materials and Properties
- Advanced materials and composites
- Metal Alloys Wear and Properties
- Advanced Battery Materials and Technologies
- Physics of Superconductivity and Magnetism
- Optical properties and cooling technologies in crystalline materials
- Nanoporous metals and alloys
- Intellectual Capital and Performance Analysis
- Advanced Chemical Physics Studies
Suzhou University of Science and Technology
2024
University of Science and Technology Beijing
2007-2017
Tianjin University
2013
Pennsylvania State University
2010
Chinese Academy of Sciences
2000
Gaps in our knowledge of phonon and thermodynamics still remain despite significant research efforts on cathode materials LiMPO4 (M = Mn, Fe, Co, Ni) for rechargeable Li-ion batteries. Here, we employ a mixed-space approach first-principles calculations to probe the lattice dynamics including LO–TO splitting (longitudinal transverse optical splitting), quantitative bonding strength between atoms, finite-temperature thermodynamic properties LiMPO4. In order take into account strong on-site...
The atomic arrangement of a model metallic glass Zr2Ni was studied by extended x-ray absorption fine structure and scattering experiments combined with reverse Monte Carlo simulation imposed an additional potential constraint. By approach to calculating the free volume (FV) on level, we have found connection between coordination number FV, then revealed that is essentially association ordered clusters FV. about 1.5nm consist densely packed core (i.e., icosahedral or fcc-type packing)...
A novel n-body potential for an Zr–Nb system was developed in the framework of embedded-atom method. All parameters constructed have been systematically evaluated by fitting to ground state properties obtained from experimental measurements and first-principles calculations pure elements some alloys. It is shown that most static thermodynamics Zr Nb can be well reproduced using present potential. Some calculation results based on model are even closer data than those previous models. The...
A long-standing issue of using molecular dynamics (MD) to simulate local atomic structures in nonequilibrium metals and alloys is the huge difference cooling rates used experimental studies theoretical calculations. In this study, a unique approach was introduced correct fast time steps involved MD This has demonstrated various medium-range ordered zones with imperfect packing, which are verified experimentally by high-resolution transmission electron microscopy its selected simulation...
Porous Zr-based bulk metallic glass (PMG) with unidirectional opening pores is prepared by electrochemical etching of tungsten wires the W/bulk (BMG) composites. The porosity and pore size can be controlled adjusting wires. PMG showed no measurable loss in thermal stability as compared to monolithic BMG water quenching more ductile softer than pore-free counterpart. specific surface area PMGs calculated 0.65, 3.96, for 20, 60, porosity, respectively.
Both experimental studies and molecular dynamics (MD) simulations reveal a unique atomic-scale growth mechanism during crystallization of an amorphous alloy Zr65Ni25Ti10. By using high-resolution transmission electron microscope incorporated with nanobeam diffraction technique, we have clearly seen imperfect ordered packing nano-ordered clusters (NOCs) size 1–2 nm embedded in this material. Under very large undercooling condition, NOCs essentially act as preexisting nuclei that can grow...