Comparative analysis of isothermal and non-isothermal solidification of binary alloys using phase-field model

Based on the entropy function, a two-dimensional phase field model of binary alloys was established. Meanwhile, an explicit difference method with uniform grid was adopted to solve the phase field and solute field controlled equations. And the alternating direction implicit(ADI) algorithm for solving temperature field controlled equation was also employed to avoid the restriction of time step. Some characteristics of the Ni-Cu alloy were captured in the process of non-isothermal solidification, and the comparative analysis of the isothermal and the non-isothermal solidification was investigated. The simulation results indicate that the non-isothermal model is favorable to simulate the real solidification process of binary alloys, and when the thermal diffusivity decreases, the non-isothermal phase-field model is gradually consistent with the isothermal phase-field model.

A Modified Phase-Field Model for Polymer Crystal Growth

The irrationality of existing phase field model is analyzed and a modified phase-field model is proposed for polymer crystal growth, in which the parameters are obtained from real materials and very simple to use, and most importantly, no paradoxical parameters appeared in the model. Moreover, it can simulate different microstructure patterns owing to the use of a new different free energy function for the simulation of morphologies of polymer. The new free energy function considers both the cases of T〈Tm and T≥Tm, which is more reasonable than that in published literatures that all ignored the T≥Tm case. In order to show the validity of the modified model, the finite difference method is used to solve the model and different crystallization morphologies during the solidification process of isotactic polystyrene are obtained under different conditions. Numerical results show that the growth rate of the initial secondary arms is obviously increased as the anisotropy strength increases. But the anisotropy strength seems to have no apparent effect on the global growth rate. The whole growth process of the dendrite depends mainly upon the latent heat and the latent heat has a direct effect on the tip radius and tip velocity of side branches.

Electrochemical performance of LiFePO_(4)-Li_(3)V_(2)(PO_4)_3 composite material prepared by solid-hydrothermal method

LiFePO4-Li3V2（PO4）3 composites were synthesized by solid-hydrothermal method and by ball milling,respectively.The electrochemical performance of the solid-hydrothermally obtained materials（C-LFVP） was significantly improved compared with LiFePO4（LFP） and Li3V2（PO4）3（LVP）,and it was also much better than that of the ball-milled LiFePO4-Li3V2（PO4）3（P-LFVP）.C-LFVP and P-LFVP both had four REDOX peaks（voltage plateaus）,which coincided with that of LFP and LVP.Some new trace substances were found in C-LFVP which had more perfect morphology,this was responsible for the better electrochemical performance of C-LFVP than P-LFVP.

Establishment of continuous cooling transformation diagrams of aluminum alloys using in situ voltage measurement

An effective method was proposed to establish the continuous cooling transformation（CCT） diagrams of aluminum alloys using in situ voltage measurement.The voltage change of samples with predefined dimension was recorded under the constant current state during continuous cooling.Solutionizing time,together with starting and finishing temperatures of phase transformation of the alloy can be obtained from relationships of voltage vs time and temperature.A critical cooling rate without detectable phase transition during continuous cooling can be determined.Continuous cooling transformation diagrams of tested samples can be established conveniently based on these results.Microstructure observation and differential scanning calorimetry（DSC） testing were applied to verify the reliability of continuous cooling transformation diagram.

人性哲学视角下的东方管理思想

管理与人性密不可分,唯有了解人性潜能,开发引导,方能发挥管理的效能。东方管理代表了管理的人性化发展方向,注意人、强调人的主体地位,在人性哲学视角下,对人性善恶、利与义、情理法的探讨中,形成独具一格的管理理论。

Measurements of Hydrate Equilibrium Conditions for CH4, CO2, and CH4＋C2H6＋C3H8 in Various Systems by Step-heating Method

Phase equilibrium conditions of gas hydrate in several systems were measured by the step-heating method using the cylindrical transparent sapphire cell device.The experimental data for pure CH4 or CO2+deionized water systems showed good agreement with those in the literatures.This kind of method was then applied to CH4/CO2+sodium dodecyl sulfate(SDS)aqueous solution,CH4/CO2+SDS aqueous solution+silica sand,and(CH4+C2H6+C3H8)gas mixture+SDS aqueous solution systems,where SDS was added to increase the hydrate formation rate without evident influence on the equilibrium conditions.The feasibility and reliability of the step-heating method,especially for porous media systems and gas mixtures systems were determined.The experimental data for CO2+silica sand data shows that the equilibrium pressure will change significantly when the particle size of silica sand is less than 96μm.The formation equilibrium pressure was also measured by the reformation of hydrate.

Synthesis of lithium difluoro(oxalate)borate(LiODFB), phase diagram and ions coordination of LiODFB in dimethyl carbonate

A new two-step synthetic method was successfully developed to simplify the recrystallization process of lithium difluoro(oxalate)borate(LiODFB).Meanwhile,the purity of LiODFB as-prepared was determined by NMR,ICP-AES and Karl Fisher measurements,respectively.The as-prepared LiODFB presents a high purity up to 99.95%.Its metal ions and water contents are under good control as well.Besides,its structure information and thermal properties were confirmed by FTIR,Raman and DSC-TGA analyses,respectively.LiODFB exerts fine thermostability and hypo-water-sensitivity and its structure information agrees well with previous literature.Furthermore,a combination of phase diagram and Raman spectroscopy were utilized to study the thermal phase behavior and ions coordination of LiODFB-DMC binary system to optimize the synthesis and recrystallization process.Although there are three types of molecular interaction forms(CIPs,AGG-IIa,AGG-IIIb)in LiODFB-DMC binary system,LiODFB can only be isolated as large single crystal solvate as LiODFB·(DMC)3/2 by slowly cooling subjected to the nucleation kinetics.Therefore,the fundamental information of our work is helpful in accelerating the application of LiODFB in Li-ion secondary batteries.

One-pot cascade conversion of xylose to furfuryl alcohol over a bifunctional Cu/SBA-15-SO3H catalyst

The conversion of hemicellulose-derived xylose to furfuryl alcohol is a practical procedure for producing value-added chemicals from biomass.In this study,a bifunctional Cu/SBA-15-SO3 H catalyst was employed for the one-pot catalytic conversion of xylose to furfuryl alcohol with a yield of up to 62.6% at the optimized conditions of 140℃,4 MPa,and for 6 h in a biphasic water/n-butanol solvent.A high reaction temperature resulted in further hydrogenation to 2-methyl furan,while a high hydrogen pressure led to a side hydrogenation reaction to xylitol.The biphasic solvent allowed xylose solvation as well as furfuryl product extraction.The acidic-SO3 H sites and Cu sites co-existed,maintained a balance,and cooperatively catalyzed the cascade conversion.Excessive acidic sites and large pores could promote the xylose conversion,although a low furfuryl alcohol yield was obtained.This catalytic system could be potentially applied to the one-pot synthesis of furfuryl alcohol from hemicellulose-derived xylose.

Amorphous SiO_2 interlayers for deposition of adherent diamond films onto WC-Co inserts

Amorphous Si O2（a-Si O2） films were synthesized on WC-Co substrates with H2 and tetraethoxysilane（TEOS） via pyrolysis of molecular precursor.X-ray diffraction（XRD） pattern shows that silicon-cobalt compounds form at the interface between a-Si O2 films and WC-Co substrates.Moreover,it is observed by transmission electron microscope（TEM） that the a-Si O2 films are composed of hollow mirco-spheroid a-Si O2 particles.Subsequently,the a-Si O2 films are used as intermediate films and chemical vapor deposition（CVD） diamond films are deposited on them.Indentation tests were performed to evaluate the adhesion of bi-layer（a-Si O2 ＋ diamond） films on cemented carbide substrates.And the cutting performance of bi-layer（a-Si O2 ＋ diamond） coated inserts was evaluated by machining the glass fiber reinforced plastic（GFRP）.The results show that a-Si O2 interlayers can greatly improve the adhesive strength of diamond films on cemented carbide inserts;furthermore,thickness of the a-Si O2 interlayers plays a significant role in their effectiveness on adhesion enhancement of diamond films.

A ROBUST PHASE-ONLY DIRECT DATA DOMAIN ALGORITHM BASED ON GENERALIZED RAYLEIGH QUOTIENT OPTIMIZATION USING HYBRID GENETIC ALGORITHM

A robust phase-only Direct Data Domain Least Squares (D3LS) algorithm based on gen- eralized Rayleigh quotient optimization using hybrid Genetic Algorithm (GA) is presented in this letter. The optimization efficiency and computational speed are improved via the hybrid GA com- posed of standard GA and Nelder-Mead simplex algorithms. First, the objective function, with a form of generalized Rayleigh quotient, is derived via the standard D3LS algorithm. It is then taken as a fitness function and the unknown phases of all adaptive weights are taken as decision variables. Then, the nonlinear optimization is performed via the hybrid GA to obtain the optimized solution of phase-only adaptive weights. As a phase-only adaptive algorithm, the proposed algorithm is sim- pler than conventional algorithms when it comes to hardware implementation. Moreover, it proc- esses only a single snapshot data as opposed to forming sample covariance matrix and operating matrix inversion. Simulation results show that the proposed algorithm has a good signal recovery and interferences nulling performance, which are superior to that of the phase-only D3LS algorithm based on standard GA.

Rapid and simultaneous determination of ten off-flavor compounds in water by headspace solid phase microextraction and gas chromatography-mass spectrometry

A simple and sensitive analytical procedure for the determination of multi-component compounds in water samples was developed and optimized using the headspace solid-phase microextraction(HSSPME) coupled with gas chromatography-mass spectrometry(GC-MS). Ten off-flavor compounds, including geosmin(GSM), 2-methylisoborneol(2-MIB), 2-isopropyl-3-methoxypyrazine(IPMP), 2-isobutyl-3-methoxypyrazine(IBMP), β-ionone, trans-2,cis-6-nonadienal(NDE), 2,3,4-trichloroanisole(2,3,4-TCA), 2,3,6-trichroloanisole(2,3,6-TCA), 2,4,6-trichloroanisole(2,4,6-TCA), and 2,4,6-tribromoanisole(2,4,6-TBA) were used as the target analytes. The optimization of extraction parameters including fibers types, extraction time, extraction temperature, stirring rate, sample volume, and ionic strength was carried out through the univariate approach. Ten off-flavor compounds were quantified within 50 min under the optimal conditions. Calibration curves with good linearity(r^2=0.990-0.998) were obtained in the range 1.0/2.0-100 ng/L, while the limits of detection for all compounds were lower than or close to the odor threshold concentration. Furthermore, the proposed method was applied to analyzing and determining the off-flavor compounds in real water samples from water-treatment plants.

Phase field lattice Boltzmann model for non-dendritic structure formation in aluminum alloy from LSPSF machine

The formation of non-dendritic structures in the primary phase of an aluminum alloy solidified using low superheat pouring with a shearing field(LSPSF) machine was investigated by numerical simulation.The growth and motion of a dendrite during solidification was simulated by a combination of the lattice Boltzmann method and the phase field method.The simulation results indicated that enough shear flow helped homogenize the concentration fields,rotate crystals and altere microstructures from dendritic to non-dendritic.The interaction of grains was also discussed.A fragmentation criterion was established based on partial remelting of dendrite arms;fragmentation was enhanced by a strong shear flow and larger inclined angles.The simulation results were verified experimentally.

Morphological evolution and growth kinetics of Kirkendall voids in binary alloy system during deformation process-Phase field crystal simulation study

The formation and growth of Kirkendall voids in a binary alloy system during deformation process were investigated byphase field crystal model.The simulation results show that Kirkendall voids nucleate preferentially at the interface,and the averagesize of the voids increases with both the time and strain rate.There is an obvious coalescence of the voids at a large strain rate whenthe deformation is applied along the interface under both constant and cyclic strain rate conditions.For the cyclic strain rate appliedalong the interface,the growth exponent of Kirkendall voids increases with increasing the strain rate when the strain rate is largerthan1.0×10-6,while it increases initially and then decreases when the strain rate is smaller than9.0×10?7.The growth exponent ofKirkendall voids increases initially and then decreases gradually with increasing the length of cyclic period under a square-waveform constant strain rate.

Generalized Energy-Based Fragmentation Approach for Accurate Binding Energies and Raman Spectra of Methane Hydrate Clusters

Methane hydrates(MHs)play important roles in the fields of chemistry,energy,environmental sciences,etc.In this work,we employ the generalized energy-based fragmentation(GEBF)approach to compute the binding energies and Raman spectra of various MH clusters.For the GEBF binding energies of various MH clusters,we first evaluated the various functionals of density functional theory(DFT),and compared them with the results of explicitly correlated combined coupled-cluster singles and doubles with noniterative triples corrections[CCSD(T)(F12^(*))]method.Our results show that the two best functionals are B3PW91-D3 and B97D,with mean absolute errors of only 0.27 and 0.47 kcal/mol,respectively.Then we employed GEBF-B3PW91-D3 to obtain the structures and Raman spectra of MH clusters with mono-and double-cages.Our results show that the B3PW91-D3 functional can well reproduce the experimental C-H stretching Raman spectra of methane in MH crystals,with errors less than 3 cm^(-1).As the size of the water cages increased,the C-H stretching Raman spectra exhibited a redshift,which is also in agreement with the experimental“loose cage-tight cage”model.In addition,the Raman spectra are only slightly affected by the neighboring environment(cages)of methane.The blueshifts of C-H stretching frequencies are no larger than 3 cm^(-1) for CH_(4) from monocages to doublecages.The Raman spectra of the MH clusters could be combined with the experimental Raman spectra to investigate the structures of methane hydrates in the ocean bottom or in the interior of interstellar icy bodies.Based on the B3PW91-D3 or B97D functional and machine learning models,molecular dynamics simulations could be applied to the nucleation and growth mechanisms,and the phase transitions of methane hydrates.

Simulation and Optimization for Thermally Coupled Distillation Using Artificial Neural Network and Genetic Algorithm

In this paper, a new approach using artificial neural network and genetic algorithm for the optimization of the thermally coupled distillation is presented. Mathematical model can be constructed with artificial neural network based on the simulation results with ASPEN PLUS. Modified genetic algorithm was used to optimize the model. With the proposed model and optimization arithmetic, mathematical model can be calculated, decision variables and target value can be reached automatically and quickly. A practical example is used to demonstrate the algorithm.

Non-isothermal crystallization kinetics of Nylon 10T and Nylon 10T/1010 copolymers:Effect of sebacic acid as a third comonomer

Nylon 10 T and Nylon 10T/1010 samples were synthesized by direct melt polymerization. The non-isothermal crystallization kinetics of Nylon 10 T and Nylon 10T/1010 was investigated by means of differential scanning calorimetry(DSC). Jeziorny equation and Mo equation were applied to describe the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. The activation energies for non-isothermal crystallization were obtained by Vyazovkin's method and Friedman's method, respectively. These results showed that Jeziorny equation and Mo equation well described the non-isothermal crystallization kinetics of the Nylon 10 T and the Nylon 10T/1010. It was found that the values of the activation energy for non-isothermal crystallization of the Nylon 10T/1010 were lower than those of the Nylon 10 T at a given temperature or relative crystallinity degree,which revealed that crystallization ability of the Nylon 10T/1010 was higher. The crystal morphology was observed by means of a polarized optical microscope(POM) and X-ray diffraction(XRD). It was found that the addition of sebacic acid comonomer not only did not change the crystal form of the Nylon 10 T, but also significantly increased the number and decreased the size of spherulites. Comparing with the Nylon 10 T, the crystallization rate was increased with the addition of the sebacic acid comonomer.

Separation of arenols from a high-temperature coal tar

A high-temperature coal tar collected from Xuzhou Coking Plant, Saint-Gobain Pipelines （Xuzhou） Co., Ltd. was exhaustively extracted with petroleum ether （PE）. The extract was sequentially eluted through silica gel with PE and PE/ethyl acetate （EA） mixed solvents （volume ratio 2：1 ） to afford two eluted frac- tions. The extract and eluted fractions were analyzed with gas chromatography/mass spectrometry. In total, 14 arenols were detected, including phenol, cresols, xylenols, fluorenols, phenanthren-3-ol and pyren-l-ol.

Measurement of Apex Offsets for Fiber Connector End Faces

As one of the most important geometric parameters for a PC-type fiber connector end face, apex offset can contribute to high insertion loss and high back-reflection reading. A novel measurement method for the parameter, connector rotating-π method, is proposed. With the method, the apex offset of a common connector end face is measured. The result is compared with that measured by a Norland 3000 fiber connector end face interferometer. It is found that the difference between two results is 1.8μm. Meantime, the influences of relevant error resources on apex offset measurement under rotating-π method and apex-core method are respectively analyzed, and two error equations are derived. The analytical result shows that, compared with apex-core method, if two additional sub-tilts of axis within and in the direction perpendicular to principal plane caused by its rotation are not bigger than the original axis tilt angle, the max. measurement error will then be reduced by at least 22.5% with rotating-π method. The practicability of the method is confirmed by the experiments.

Synthesis of nanosize MnO_2 and its performence

Sol sol gel method and solid phase redox reaction were respectively applied in preparation of Nanosize MnO 2 powders. The experiments showed that only Mn 2O 3 could be obtained from ignition of Mn(Ⅱ) in the muffle furnace in air, and Mn 2O 3 had to be disproportionated in acids to gain MnO 2. The analysis of XRD and TEM technique revealed that the diameters of nanosize MnO 2 obtained by sol gel method was 35～45 nm and the x in MnO x was 1 9; the particle size of MnO 2 produced from solid phase redox reaction was 10～20 nm and the x in MnO x equaled 1 94. The test results have proved that the discharge property of alkaline manganese battery could be improved by nanosize MnO 2.

WLS filter for reducing atmospheric effects in spaceborne SAR tomography

A new approach was presented to eliminate the atmosphere-induced phase error utilizing only the single look complex(SLC) synthetic aperture radar(SAR) image set. This method exploited the space-invariance characteristic of phase error components contained in image pixels and estimates the phase error using the weighted least-squares(WLS) filter. Actually, this sort of method can be classified as autofocus algorithm which was generally applied in airborne SAR 2-D imaging to compensate the phase error introduced by airplane's nonideal motion. Real data processing, which is relevant to Honda center and Angel stadium of Anaheim test-sites and acquired by Envisat-ASAR during the period from June 2004 to October 2007, was carried out to evaluate this WLS estimation algorithm. Experimental results show that the phase error estimated from WLS filter is very accurate and the focusing quality along NSR dimension is improved prominently via phase correction, which verifies the practicability of this new method.