Papers by Author: Yan Sheng Yin

Abstract: Ti3Al inter-metallic compounds were successfully prepared via high energy ball milling and the subsequently heat treatment. Near full dense (TiB2, TiCx)/B4C matrix composites were fabricated by the addition of Ti3Al. The maximum values of hardness, flexural strength and fracture toughness are HRA 94.1, 580.34MPa and 8.07MPa•m1/2 respectively for 20wt% Ti3Al content. Furthermore, the microstructures of the composites were analyzed by XRD, SEM and energy spectrum methods.

Abstract: The complex {1,1’-[ o-phenylenebis (nitrilomethylidyne) ] di-2-naphtholato} copper(II) was optimized by the DFT method at B3LYP/LANL2DZ level, and the frontier molecular orbitals, natural bond orbitals, nonlinear optical properties and Mülliken charge population of the optimized complex were exploited and analyzed. The calculated results show that the complex has stable structure and it keeps some potential applications in optic materials field.

Abstract: The lattice parameters, five independent elastic constants and the bulk modulus B on the applied pressure of hexagonal boron nitride (h-BN) are calculated by using a first-principles pseudopotential method. The calculation results are in good agreement with the experimental and theoretical values. It is found that the most stable structure of h-BN corresponds to the axial ratio c/a of about 2.652.

Abstract: Theoretical study on the electronic structure of small FemAln(m+n=6) clusters has been carried out at the BPW91 level, and the electronic structures, binding energy and vertical ionization potential of clusters were evaluated. For the stable clusters, the iron atoms gather together and form a maximum of Fe-Fe bonds, and the aluminum atoms locate around Fe core with a maximum of Fe-Al bonds. The binding energy and vertical ionization potential show that the Fe5Al, Fe4Al2 and Fe3Al3 clusters have higher stability, which results provide insight into the properties of iron-aluminides can be obtained from a finite size cluster model.

Abstract: The microbially influenced corrosion of copper by marine bacterium Vibrio natriegens (V. natriegens) was investigated using surface analysis (atomic force microscopy (AFM) and electrochemical impedance spectroscopy (EIS). AFM images corroborated the results from the EIS models which show biofilm attachment over time. The electrochemical results showed that the corrosion of copper was accelerated in the presence of V. natriegens based on the decrease in the resistance of the charge transfer resistance (Rct) obtained from EIS.

Abstract: Sol-gel TiO2 thin films undoped and doped with Ag-ions have been formed on 304ss by dip-coating method respectively. The Ag/TiO2 films are compact and have anatase phase with stable crystal structure and have a thickness of 50 nm approximately. The bactericidal rate of the Ag/TiO2 film against sulfate-reducing bacteria (SRB) strains reaches 97.1% when doping Ag+ with a percentage of 3%. The analysis of potentiodynamic polarization curves illustrates Ag/TiO2 film decreases the corrosion rate obviously.

Abstract: Molecular simulations of the interfacial properties of (1) a composite with an epoxy(EP) matrix and a carbon nanotube(CNT)/carbon fiber(CF) multi-scale reinforcement and (2) a traditional CF/EP composite were performed employing Materials Studio 4.0 software. Results indicate that the interfacial atom concentration of material 1 is higher that that of material 2 by interfacial molecular structure analysis, and there are many benzene rings in both material 1 and material 2 which are parallel to the crystal layers of CF. The contact layer thickness of material 1 and material 2 is 0.25 and 0.10 nm, respectively. The concentration distribution calculation of EP molecules in the interface shows that the most concentrated part of EP in material 2 appears in the carry-forward area of the contact layer, while it is more close to the contact layer in material 1.

Abstract: A comparative study of the corrosion behavior of the copper-nickel-tin alloy in a nutrient–rich simulated seawater-based nutrient-rich medium in the presence and the absence of the marine bacteria was carried out by electrochemical experiments, microscopic methods. Comparing to the corresponding control samples, the electrochemical data demonstrated that the presence of the bacteria accelerated the corrosion of the alloy. Scanning electron microscopy (SEM) images revealed the occurrence of micro-pitting and intergranular corrosion underneath the biofilm on the alloy surface.

Abstract: Hollow carbon spheres containing Fe3N nanocrystals (Fe3N/HCSs) are synthesized by ferrocene and ammonium chloride in high pressure argon at 500 °C. The structure, morphology and properties of the products are characterized by X-ray diffraction (XRD), field-emission scanning electron microscopy (SEM), transmission electron microscopy (TEM), thermogravimetric analysis (TG) and vibrating sample magnetometry (VSM). The hollow carbon spheres have diameters of 1-10 µm and shell thickness of hundreds of nanometers. The dimensions of the acicular Fe3N nanocrystals have diameters of ca. 100 nm and lengths of 600-800 nm. The weight percent of Fe3N nanocrystals in Fe3N/HCSs is about 37.8%. The saturation magnetization value of the hollow carbon spheres containing Fe3N nanocrystals is 10.61 emu/g.

Abstract: Nanocrystalline titania porous films were prepared on ITO and glass substrates by polyethylene glycol（PEG）-assisted sol-gel method using Ti(C4H9COO)4 as precursor, ethanol as solvent and NH(C2H2OH)2 as chelating agent and PEG 2000as a template. When the amount of polyethylene glycol is within the range of 0～2. 0g/L ,. The characteristics and microstructure of films as well as the chemical and physical changes taken place during so-gel and heat treatments were analyzed by XRD, SEM and Emission spectra. The Cyclic voltammetry which measurements the films by illumination with a high pressure mercury lamp are employed to analyze photoelectrochemical property the porous titania thin films. The effects of precursor concentration and PEG 2000 contention the characteristic of films were discussed. The Cyclic voltammetry experiment under UV light irradiation indicated that the pores in the TiO2 thin films enhanced its photoelectrochemical activity; the size of the pores thin films obviously affected the photo-current exchanged rate of titania films.