A5062868232- High Entropy Alloys Studies
- High-Temperature Coating Behaviors
- Magnesium Alloys: Properties and Applications
- Microstructure and mechanical properties
- Metal and Thin Film Mechanics
- Aluminum Alloys Composites Properties
- Ferroelectric and Piezoelectric Materials
- Additive Manufacturing Materials and Processes
- Aluminum Alloy Microstructure Properties
- Electronic and Structural Properties of Oxides
- Acoustic Wave Resonator Technologies
- Magnetic and transport properties of perovskites and related materials
- Machine Learning in Materials Science
- nanoparticles nucleation surface interactions
- Hydrogen embrittlement and corrosion behaviors in metals
- Electromagnetic Effects on Materials
- Advanced Materials Characterization Techniques
- Cellular and Composite Structures
- Acoustic Wave Phenomena Research
- Surface and Thin Film Phenomena
- Solidification and crystal growth phenomena
- Nonlocal and gradient elasticity in micro/nano structures
- Material Properties and Failure Mechanisms
- Topology Optimization in Engineering
- Thermal properties of materials
Zhejiang University
2010-2025
Zhejiang Institute of Mechanical and Electrical Engineering
2023
Institute of Mechanics
2022-2023
École Polytechnique Fédérale de Lausanne
2016-2021
Beijing University of Technology
2021
CIC nanoGUNE
2015
Nanjing University of Aeronautics and Astronautics
2010
Pure magnesium exhibits poor ductility owing to pyramidal [Formula: see text] dislocation transformations immobile structures, making this lowest-density structural metal unusable for many applications where it could enhance energy efficiency. We show why can be made ductile by specific dilute solute additions, which increase the cross-slip and multiplication rates levels much faster than deleterious transformation, enabling both favorable texture during processing continued plastic...
Abstract The face-centered cubic medium-entropy alloy NiCoCr has received considerable attention for its good mechanical properties, uncertain stacking fault energy, etc, some of which have been attributed to chemical short-range order (SRO). Here, we examine the yield strength and misfit volumes determine whether SRO measurably influenced properties. Polycrystalline strengths show no systematic trend with different processing conditions. Measured in are consistent those random binaries....
Abstract High-entropy alloys are random with five or more components, often near equi-composition, that exhibit excellent mechanical properties. Guiding the design of new materials across wide composition space requires an ability to compute necessary underlying material parameters via ab initio methods. Here, density functional theory is used elemental misfit volumes, alloy lattice constant, elastic constants, and stable stacking fault energy in fcc noble metal RhIrPdPtNiCu. These...
Recent experiments show that the CoCrFeNiPd high-entropy alloy (HEA) is significantly stronger than CoCrFeNi and with nanoscale composition fluctuations beyond those expected for random alloys. These were suggested to be responsible strengthening. Here, a recent parameter-free theory initial yield strength in fcc alloys shown predict of good agreement experiments. The strengthening due mainly large misfit volume Pd CoCrFeNi, indicating effects non-random are secondary. Analyses variations...
Interatomic potentials are essential for studying fundamental mechanisms of deformation and failure in metals alloys because the relevant defects (dislocations, cracks, etc.) far above scales accessible to first-principles studies. Existing non-fcc nearly all are, however, not sufficiently quantitative many crucial phenomena. Here machine learning Behler-Parrinello neural-network framework is used create a broadly applicable potential pure hcp magnesium (Mg). Lightweight Mg its...
Materials usually fracture before reaching their ideal strength limits. Meanwhile, materials with high generally have poor ductility, and vice versa. For example, gold the conventional face-centered cubic (FCC) phase is highly ductile while yield (~102 MPa) significantly lower than its theoretical limit. Here, through engineering, we show that defect-free single-crystalline nanoflakes hexagonal close-packed (HCP) can exhibit a of 6.0 GPa, which beyond limit FCC counterpart. The lattice...
Hydrogen atoms have a wide variety of effects on the mechanical performance metals, and underlying mechanisms associated with plastic flow embrittlement remain to be discovered or validated. Here, reduction in stress (softening) due hydrogen solute-strengthened previously proposed by Sofronis et al. is demonstrated at atomistic level. Glide an edge dislocation through field solutes nickel matrix, both absence presence H bound solutes, modelled. The 'solutes' here are represented vacancies,...
In the polar catastrophe scenario, discontinuity accounts for driving force of formation a two-dimensional electron gas (2DEG) at interface between and non-polar insulators. this paper, we substitute usual, non-ferroelectric, material with ferroelectric thin film use polarization as source discontinuity. We ab initio simulations to systematically investigate stability, properties free-carrier gases formed in PbTiO$_3$/SrTiO$_3$ heterostructures under realistic mechanical electrical boundary...
After the discovery of a 2D electron gas at interface between LaAlO${}_{3}$ and SrTiO${}_{3}$, great effort has been devoted to investigation possible routes manipulate this system in order exploit its interesting properties practical applications. In work authors use Landau model show that similar 2-dimensional may spontaneously form ferroelectric interfaces. Unlike case LaAlO${}_{3}$/SrTiO${}_{3}$ interface, can be tuned nonvolatile way with application an electric field through coupling...
Prismatic slip in magnesium at temperatures T≲150 K occurs ∼ 100 MPa independent of temperature, and jerky flow due to large prismatic dislocation glide distances is observed; this athermal regime not understood. In contrast, the behavior T≳150 understood be governed by a thermally-activated double-cross-slip stable basal screw through an unstable or weakly metastable prism configuration back screw. Here, range neural network potentials (NNPs) that are very similar for many properties Mg...
We predict the existence of radial polarizations in single-layer-thick BaTiO3 nanotubes via ab initio calculations. The electric polarization is confirmed and calculated by a reliable method based on electrostatic potential analysis. And found proportional to strain gradient, which induced bending deformation. effective transverse flexoelectric coefficient possesses an order −1 nC/m.
Theoretical investigations in earlier literatures have shown that there is no critical thickness for ferroelectricity existing the free-standing PbTiO3 ultrathin films. In this work, we report origin of vanishing by comparing properties and BaTiO3 films based on ab initio investigations. Attributing to covalency Pb-O bond, spontaneous strain gradient appears films, which breaks inversion symmetry makes ferroelectric polarizations be sustained.
Multiferroic tunnel junctions (MFTJs) are usually composed of two ferromagnetic electrodes and an ultrathin layer ferroelectric barrier, with many physical properties sensitive to the interfacial details. In Fe/BaTiO${}_{3}$ heterostructures, types atomic configurations were observed successively in previously reported experiments. this work, we consider MFTJs which differ only structure via ab initio studies. Various systematically investigated reveal interface effect. Due existence...
Recent experiments show that the CoCrFeNiPd high-entropy alloy (HEA) is significantly stronger than CoCrFeNi and with nanoscale composition fluctuations beyond those expected for random alloys. These were suggested to be responsible strengthening. Here, a recent parameter-free theory initial yield strength in fcc alloys shown predict of good agreement experiments. The strengthening due mainly large misfit volume Pd CoCrFeNi, indicating effects non-random are secondary. Analyses variations...