Application of the Embedded-atom Method to Liquid Binary Cu-Ni Alloys

A simple analytic embedded-atom model of monoatoms that includes more than nearest neighbours has been extended to study properties of binary liquid Cu-Ni alloys, here the two-body potential between different species of atoms is taken as a function of the two-body potential for the pure metals with a unique form which yields alloy models with the same invariance to electron density transformations as monoatomic models. Faber-Ziman structure factors have been computed by molecular dynamics simulation on the base of this model. The results are in good agreement with experimental data given by Waseda, thus supporting the overall validity of the approach, especially for cross potential of Cu-Ni pair. Further, a detailed description of structure of binary liquid Cu-Ni alloys with different compositions have been performed using pair analysis and bond orientational order method etc., and then the chemical short range order has also been examined to reveal the structural characterization.

Determination of Fructose and Glucose Contents in Honey by Liquid Chromatography-refractive Index Detection Method and Direct Titration Method

In this study, fructose and glucose contents in honey were determined by liquid chromatography-refractive index detection method and alkaline copper tartrate solution-direct titration method. According to the results, there were great differences between determination results of reducing sugar contents by liquid chromatography-refractive index detection method and alkaline copper tartrate solution-direct titration method. Specifically, average determination results of reducing sugar contents by liquid chromatography-refractive index detection method were reduced by about 9.5% compared with alkaline copper tartrate solution-direct titra- tion method. Subsequently, determination results of reducing sugar contents by two methods were compared and analyzed. Liquid chromatography-refractive index detection method was used to determine fructose and glucose monomers in honey, but alkaline copper tartrate solution-direct titration method was used to determine reducing sugar composition in honey, which might lead to significantly different results. Due to small sample size and limited conditions, the determination results were not necessarily representative. Bee product acquisition and processing enterprises and relevant departments should pay much attention on these issues and fully consider the current situation of grass-roots units to develop scientific, rigorous, simple, universal, convenient, low-cost and practicable standards, thus ensuring the safety and reliability of food quality.

Optical simulation of in-plane-switching blue phase liquid crystal display using the finite-difference time-domain method

The finite-difference time-domain method is used to simulate the optical characteristics of an in-plane switching blue phase liquid crystal display.Compared with the matrix optic methods and the refractive method,the finite-difference timedomain method,which is used to directly solve Maxwell＇s equations,can consider the lateral variation of the refractive index and obtain an accurate convergence effect.The simulation results show that e-rays and o-rays bend in different directions when the in-plane switching blue phase liquid crystal display is driven by the operating voltage.The finitedifference time-domain method should be used when the distribution of the liquid crystal in the liquid crystal display has a large lateral change.

Dielectric Properties of (Ag_xNa_(1-x))(Nb_yTa_(1-y))O_3 System Prepared by Liquid Method

The dielectric properties of （AgxNa1-x）（NbyTa1-y）O3 were investigated, and its dielectric loss and capacitance were measured. The dielectric properties of nanometer （AgxNa1-x）（NbyTa1-y）O3 ceramic prepared by liquid method were better than that by conventional solid method. The average grain size of the nanometer powder（34 nm） obtained by citrate-gel method was small near 500 nm and homogeneous and the microstructure was dense and uniform. In addition, the sintering temperature had a great effect on properties. The dielectric properties of resultant samples were as follows： ε〉500, tgδ〈6 10^-4, αc〈 10 ppm/℃, ρv〉1 012Ω·cm.

Stability analysis of liquid filled spacecraft system with flexible attachment by using the energy–Casimir method

The stability of partly liquid filled spacecraft with flexible attachment was investigated in this paper. Liquid sloshing dynamics was simplified as the spring-mass model, and flexible attachment was modeled as the linear shearing beam. The dynamic equations and Hamiltonian of the coupled spacecraft system were given by analyzing the rigid body, liquid fuel, and flexible appendage. Nonlinear stability conditions of the coupled spacecraft system were derived by computing the variation of Casimir function which was added to the Hamiltonian. The stable region of the parameter space was given and validated by numerical computation. Related results suggest that the change of inertia matrix, the length of flexible attachment, spacecraft spinning rate, and filled ratio of liquid fuel tank have strong influence on the stability of the spacecraft system.

Study on fluid-structure interaction in liquid oxygen feeding pipe systems using finite volume method

The fluid-structure interaction may occur in space launch vehicles,which would lead to bad performance of vehicles,damage equipments on vehicles,or even affect astronauts＇ health.In this paper,analysis on dynamic behavior of liquid oxygen （LOX） feeding pipe system in a large scale launch vehicle is performed,with the effect of fluid-structure interaction （FSI） taken into consideration.The pipe system is simplified as a planar FSI model with Poisson coupling and junction coupling.Numerical tests on pipes between the tank and the pump are solved by the finite volume method.Results show that restrictions weaken the interaction between axial and lateral vibrations.The reasonable results regarding frequencies and modes indicate that the FSI affects substantially the dynamic analysis,and thus highlight the usefulness of the proposed model.This study would provide a reference to the pipe test,as well as facilitate further studies on oscillation suppression.

PEG-combined liquid phase synthesis and electrochemical properties of carbon-coated Li_3V_2(PO_4)_3

The carbon-coated monoclinic Li3V2(PO4)3(LVP) cathode materials were successfully synthesized by liquid phase method using PEG as reducing agent and carbon source. The effects of relative molecular mass of PEG on the properties of Li3V2(PO4)3/C were evaluated by X-ray diffraction(XRD), scanning electron microscope(SEM) and electrochemical performance tests. The SEM images show that smaller size particles are obtained by adding larger and smaller PEGs. The electrochemical cycling of Li3V2(PO4)3/C prepared by both PEG200 and PEG20 k has a high initial discharge capacity of 131.1 mA·h/g at 0.1C during 3.0-4.2 V, and delivers a reversible discharge capacity of 123.6 m A·h/g over 30 cycles, which is better than that of other samples. The improvement in electrochemical performance is caused by its improved lithium ion diffusion coefficient for the macroporous morphology, which is verified by cyclic voltammetry(CV) and electrochemical impedance spectroscopy(EIS).

Application of nanotechnology in a silver/graphite contact material and optimization of its physical and mechanical properties

By applying nanotechnology, a new type of silver/graphite (AgC) electricalcontact was fabricated and characterized. The AgC coating powders were obtained through high-energyball milling and reducer liquid spraying-coating method. The as-prepared powders were examined bytransmission electron microscope (TEM), scanning electron microscope (SEM), and X-ray diffraction(XRD). The results show that the thickness of graphite flakes milled for 10 h is about 50-60 nm andthe AgC coating powders exhibit flocculent structure with quite fine and homogeneous internalmicropores. XRD implies that the average crystalline size of silver in coating powders is about 50nm. The mechanical and physical properties of this newly developed AgC contact made from theabove-mentioned nanocrystalline powders by traditional powder metallurgy technique were measured.Compared with its counterparts made from other techniques, the properties of this new AgC contacthave been optimized. High surface energy and high-energy interfaces of the nanocrystalline AgCcoating powders provide powerful driving force for sintering densification. Moreover, the flocculentstructure of the powders is also an important factor to acquire fine density ratio.

CO_2 hydrogenation to methanol over Cu/Zn/Al/Zr catalysts prepared by liquid reduction

Cu/Zn/Al/Zr catalysts containing Cu in three valence states(Cu2+,Cu+and Cu0)were prepared usinga liquid reduction method and subsequently calcined at different temperatures.The effects of thecalcination temperature on the catalyst structure,interactions among components,reducibility anddispersion of Cu species,surface properties and exposed Cu surface area were systematically investigated.These materials were also applied to the synthesis of methanol via the hydrogenation ofCO2.The results show that a large exposed Cu surface area promotes catalytic CO2conversion andthat there is a close correlation between the Cu+/Cu0ratio and the selectivity for methanol.A calcinationtemperature of573K was found to produce a Cu/Zn/Al/Zr catalyst exhibiting the maximumactivity during the synthesis of methanol.

Preparation of Nano-TiO_2 by Liquid Hydrolysis and Characterization of Its Antibacterial Activity

The nano-TiO_2 particles were prepared by liquid hydrolysis method and characterized using XRD. Its antibacterial activity against two representative bacterial, Escherichia eoli and Staphylococcus aureus, was also studied. The experimental results showed that the nano-TiO_2 caleinated at 600-700℃ contained the obvious anatase phase and exerted exeeUent antibacterial activity. The feature of antibacterial activity of nano- TiO_2 was non-strains specificity and exerted best antibacterial activity at concentration of 0.8 g/L.

Analysis of Sucrose Esters with Long Acyl Chain by Coupling of HPLC-ELSD with ESI-MS System

The analysis of sucrose esters with long acyl chain by improved high performance liquid chromatographic method with evaporative light scattering detection （HPLC-ELSD） and electrospray ionization mass spectrum （ESI-MS） is investigated. The improved HPLC-ELSD method for the separation and quantitation of commercial and synthesized sucrose esters is described. Samples are analyzed by means of a reversed-phase （RP） HPLC using a Hypersil C8 column （250 mm× 4.6 mm, 5 μm particle size） with methanol-tetrahydrofuran （vo）ume ratio of 90 ： 10） and water under gradientcondition as the mobile phase, in which the flow rate is 1.0 ml·min^-1 and the column temperature is set at 40℃. This procedure provides a complete separation and determination ot monoester, diester, triester and higher esters with different acyl chain lengths in each fraction by a single run, in combination with the ESI-MS technology. With this method, it is possible to determine the approximate compositions of monoto polyesters in one analysis and quantitate pure positional isomers precisely using an external standard method. It is found that the method of ESI-MS coupling with HPLC system for the analysis of sucrose esters is straight forward, rapid and inexpensive, and can be readily applied in synthesis, purification and structure studies.

TiO_2 thin film photocatalyst

It is well known that the photocatalytic activity of TiO_2 thin filmsstrongly depends on the preparing methods and post-treatment conditions, since they have a decisiveinfluence on the chemical and physical properties of TiO_2 thin films. Therefore, it is necessary toelucidate the influence of the preparation process and post-treatment conditions on thephoto-catalytic activity and surface microstructures of the films. This review deals with thepreparation of TiO_2 thin film photo-catalysts by wet-chemical methods (such as sol-gel,-reversemicellar and liquid phase deposition) and the comparison of various preparation methods as well astheir advantage and disadvantage. Furthermore, it is discussed that the advancement ofphotocatalytic activity, super-hydrophilicity and bactericidal activity of TiO_2 thin filmphotocatalyst in recent years.

Improved water oxidation via Fe doping of CuWO4 photoanodes:Influence of the Fe source and concentration

Iron(Fe)was successfully doped in CuWO4 photoanode films with a combined liquid-phase spin-coating method via the dopant sources of Fe(NO3)3,FeSO4 and FeCl3.The microstructure of the prepared films was characterized by x-ray diffraction,scanning electron microscopy,and atomic force microscopy.The light absorption and photoelectric conversion properties were evaluated by the UV-visible absorption spectra and monochromatic incident photon-to-electron conversion efficiency.The chemical composition and element combination of the samples were examined by x-ray photoelectron spectroscopy.A linear sweep voltammetric and stability test(I-t)were performed with an electrochemical workstation.The results show that the samples are uniform with a thickness of approximately 800 nm and that the photoelectrochemical performance of the doped films is heavily dependent on the Fe source and dopant concentration.Upon optimizing the doping conditions of Fe(NO3)3 and the optimal source,the photocurrent density in the Fe-doped CuWO4 photoanode film is improved by 78%from 0.267 mA/cm2 to 0.476 mA/cm2 at 1.23 V vs reversible hydrogen electrode.The underlying causes are discussed.

Cerebrospinal Fluid Pharmacokinetics of Intravenous High Dose-Methotrexate

Objective： To study the cerebrospinal fluid pharmacokinetics of intravenously administered high dose-methotrexate （HD-MTX） and provide a solid fundament for clinical practice. Methods： MTX at a high dose ranging from 1.0 to 3.0 g per course was intravenously administered to 30 patients with malignant tumors. Blood and CSF samples were consecutively collected up to 36 h after the initiation of infusion （6 h）. MTX concentrations were measured by using a reversed phase high-performance liquid chromatography （RP-HPLC） assay. Results： CSF MTX concentrations were （1.65±1.52）×10^-6, （4.3±3.34）× 10^-7, （1.46±1.10）×10^-7 and （3.19±4.38）×10^-8 mol/L, respectively, at 0, 6, 12 and 24 h post infusion, and became undetectable at 36 h post infusion. The concentration-time curve of CSF MTX closely resembled that of the plasma MTX and fitted with the following linear regression equation： Y=0.057 97＋0.010 82X （Y： CSF MTX concentration, X： Plasma MTX concentration, r=0.8357）. Conclusion： CSF MTX was metabolized in a linear two-compartment model. Additionally, pharmacokinetic analysis of MTX levels indicated a positive correlation between CSF MTX and plasma MTX levels.

NUMERICAL VALIDATION OF COMPUTATIONAL MODEL FOR SHEET CAVITATING FLOWS

A computational modeling for the sheet cavitating flows is presented. The cavitation model is implemented in a viscous Navier-Stokes solver. The cavity interface and shape are determined using an iterative procedure matching the cavity surface to a constant pressure boundary. The pressure distribution, as well as its gradient on the wall, is taken into account in updating the cavity shape iteratively. Numerical computations are performed for the sheet cavitating flows at a range of cavitation numbers across the hemispheric headform/cylinder body with different grid numbers. The influence of the relaxation factor in the cavity shape updating scheme for the algorithm accuracy and reliability is conducted through comparison with other two cavity shape updating numerical schemes. The results obtained are reasonable and the iterative procedure of cavity shape updating is quite stable, which demonstrate the superiority of the proposed cavitation model and algorithms.

A high-contrast coronagraph for direct imaging of Earth-like exoplanets: design and test

A high-contrast coronagraph for direct imaging of an Earth-like exoplanet at the visible band needs a contrast of 10^-10 at a small angular separation of 4λ/D or less. Here we report our recent laboratory experiment that approaches these lim- its. Our test of a high-contrast imaging coronagraph is based on our step-transmission apodized filter. To achieve this goal, we use a liquid crystal array as a phase correc- tor to create a dark hole based on our dedicated algorithm. We have suppressed the diffraction and speckle noise near the point image of a star to a level of 1.68 × 10^-9 at 4λ/D, which can be used for direct imaging of Jupiter-like exoplanets. This demon- strates that a telescope incorporating a high-contrast coronagraph in space has the potential to detect and characterize Earth-like planets.

Pore Structure Characteristics of Taiyuan Formation Shale in Qinshui Basin

Qinshui Basin is located in the southeast of Shanxi Province, China. Taking the shale of Taiyuan Formation in Qinshui Basin as the research object, the study analyzed the pore size of the shale of Taiyuan formation in detail from micropore to macropore by the methods of mercury injection, liquid nitrogen analysis and combination of liquid nitrogen and mercury injection. The results show that: 1) the visible pores and macropores are poorly developed and distributed unevenly in the shale of Taiyuan formation, and the micropores are well developed in the shale, and there are more open pores in the pore diameter range, and the pore connectivity is good;2) the liquid nitrogen experiment shows that the pores of Taiyuan Shale are relatively developed between 15 nm and 20 nm, and the formation of hysteresis loop may be caused by some narrow slit pores with similar layered structure;3) the comprehensive analysis of liquid nitrogen and mercury injection experiments shows that the shale of the Taiyuan formation mainly develops micropores, the Mesopores is not developed, the pore volume at 10 - 100 nm is more developed than other parts, and the specific surface is mainly contributed by micropores, which can improve the efficiency of shale gas resolution;at the same time, it provides a channel for Shale gas migration, which is beneficial to the development of shale gas.

Modulational instability of optically induced nematicon propagation

We report the modulational instability （MI） analysis for the modulation equations governing the propagation of coherent polarized light through a nematic liquid crystal （NLC） slab, in the limit of low light intensity and local material response. The linear stability analysis of the nonlinear plane wave solutions is performed by considering both the wave vectors （k,l） of the basic states and wave vectors （K,L） of the perturbations as free parameters. We compute the MI gain, and the MI gain peak is reduced and the stable bandwidth is widened with the increase of the strength of the applied electric field. Further, we invoke the extended homogeneous balance method and Exp-function method aided with symbolic computation and obtain a series of periodic solitonic humps of nematicon profiles admitting the propagation of laser light in the NLC medium.

Studies on the Growth and Characterization of L-Arginine Maleate Dihydrate Crystal Grown from Liquid Diffusion Technique

Nonlinear optical crystals of L-Arginine maleate dihydrate were grown from liquid diffusion method. The lattice parameters of the crystal were identified using single crystal and powder crystal X-ray diffraction analyses. Fourier transform infrared spectroscopy and Fourier transform Raman spectroscopy were made to study the vibrational functional groups in the grown crystal. Optical absorption and transmission ranges were measured from UV-VIS-NIR spectrum. The molecular structure of the crystal is established through 1H-NMR and 13C-NMR studies. Thermal stabilities and decomposition of the grown crystal were studied from TG/DTA and DSC analyses. Nonlinear optical property of the crystal was determined by Kurtz and Perry powder technique.

Synthesis and electromagnetic absorption properties of micro-nano nickel powders prepared with liquid phase reduction method

Monodisperse micro-nano nickel powders have been prepared by chemical reduction of aqueous solution NiSO_(4),NaOH and NaH_(2)PO_(2),and the influence of pH value and initial concentration of NiSO_(4) on the size,structure,morphology and microwave absorption properties of nickel powders were investigated.The crystal structure of nickel powders was characterized by X-ray diffraction(XRD).And the morphology of the as-synthesized products was characterized by scanning electron microscopy(SEM)and transmission electron microscopy(TEM).The microwave absorption properties of the composite materials were characterized by network analyzer.The result indicates that the growth of nickel powders produced by NiSO_(4) and NaH_(2)PO_(2) at alkaline condition deeply relies on pH value and initial concentration of NiSO_(4) in reaction system.Different sizes of nickel powders with the diameter of 1.5μm and 180 nm were produced at the pH value of 10 and initial concentration of NiSO_(4) at 0.5 mol/L.The network analyzer showed definite microwave absorption properties of nickel powders with different sizes in the range of 0.5-18.0 GHz.