Three-Dimensional Phase Field Simulations of Hysteresis and Butterfly Loops by the Finite Volume Method

Three-dimensional simulations of ferroelectric hysteresis and butterfly loops are carried out based on solving the time dependent Ginzburg-Landau equations using a finite volume method. The influence of externally mechanical loadings with a tensile strain and a compressive strain on the hysteresis and butterfly loops is studied numerically. Different from the traditional finite element and finite difference methods, the finite volume method is applicable to simulate the ferroelectric phase transitions and properties of ferroelectric materials even for more realistic and physical problems.

Paraelectric Doping Simultaneously Improves the Field Frequency Adaptability and Dielectric Properties of Ferroelectric Materials:A Phase-Field Study

Recent years,the polarization response of ferroelectrics has been entirely studied.However,it is found that the polarization may disappear gradually with the continually applied of electric field.In this paper,taking K0.48Na0.52NbO3(KNN)as an example,it was demonstrated that the residual polarization began to decrease when the electric field frequency increased to a certain extent using a phase-field methods.The results showed that the content of out-of-plane domains increased first and then decreased with the increase of applied electric field frequency,the maximum polarization disappeared at high frequencies,and the hysteresis loop became elliptical.In order to further study the abnormal changes of hysteresis loops of ferroelectrics under high electric field frequency,we analyzed the hysteresis loop and dielectric response of solid solution 0.1SrTiO_(3)-0.9K_(0.48)Na_(0.52)NbO_(3).It was found that the doped hysteresis loop maintained its shape at higher frequency and the dielectric constant increased.This kind of doping has a higher field frequency adaptability,which has a key guiding role in improving the dielectric properties of ferroelectric thin films and expanding the frequency application range of ferroelectric nano memory。

Transfer matrix method for free and forced vibrations of multi-level functionally graded material stepped beams with different boundary conditions

Functionally graded materials(FGMs)are a novel class of composite materials that have attracted significant attention in the field of engineering due to their unique mechanical properties.This study aims to explore the dynamic behaviors of an FGM stepped beam with different boundary conditions based on an efficient solving method.Under the assumptions of the Euler-Bernoulli beam theory,the governing differential equations of an individual FGM beam are derived with Hamilton’s principle and decoupled via the separation-of-variable approach.Then,the free and forced vibrations of the FGM stepped beam are solved with the transfer matrix method(TMM).Two models,i.e.,a three-level FGM stepped beam and a five-level FGM stepped beam,are considered,and their natural frequencies and mode shapes are presented.To demonstrate the validity of the method in this paper,the simulation results by ABAQUS are also given.On this basis,the detailed parametric analyses on the frequencies and dynamic responses of the three-level FGM stepped beam are carried out.The results show the accuracy and efficiency of the TMM.

Investigation on the temperature-dependent diffusion growth of intermetallic compounds in the Mg-Al-Zn system:Experiment and modeling

With the rapid development of Mg alloys,deeper understanding to the thermodynamic and diffusional kinetic behavior of intermetallic compounds(IMCs)is important for studying the effect of alloying elements to the microstructure evolution.Specially,a systematic quantitative investigation on the diffusional growth of IMCs is of great necessity.However,the works studying the elemental diffusion behaviors of multiple-element IMCs are rare in magnesium alloy systems.The current work takes the ternary Mg-Al-Zn system as research target,and combines the diffusion couple technique,phase stability diagrams,in-situ observation technique and numerical inverse method to investigate the temperature-dependent kinetic coefficients.The parabolic growth constant(PGC)and interdiffusion coefficients for Mg solid-solution phase andγ-Mg_(17)Al_(12),β-Mg_(2)Al_(3),ε-Mg_(23)Al_(30),MgZn_(2),Mg_(2)Zn_(3),τ-Mg_(32)(Zn,Al)49 andφ-Mg_(5)Zn_(2)Al_(2) IMCs in the Mg-Al-Zn alloy system are determined.By comparing the current experimental with calculation results,the rate-controlling factor of the temperature-dependent diffusion growth ofφ,τandεternary IMCs in the Mg-Al-Zn system is further discussed in detail.

Nanomechanics of Mg-Gd-Y-Nd-Zn alloy with LPSO and MgRE phases

The mechanical properties of two main precipitating phases(LPSO and MgRE)and matrix in Mg-Gd-Y-Nd-Zn bioalloy were examined using nanoindentation method.A new is suggested for characterizing the elastic-plastic behavior,fracture toughness and strain rate sensitivity(SRS)of materials within micro/nanoscale.Firstly,a nanomechanical model was developed for extracting hardness(H),young’s modulus(E)and yield stress(σY)from the characteristic load points which were subsequently analyzed by atomic force microscope(AFM)images.The elasticity data and AFM data were then utilized for determination of plastic deformation in constituent phases.The displacement of the indentation gets the highest value for Mg matrix and between precipitates,depth is more in LPSO rather than that of MgRE.The serrated flow or the behavior of shear bands may originate from the side effect of the interface region in Mg alloys with precipitates.It can be deduced that the KIC produced by both L method and energy-based calculation are both reliable for KIC approximation.The maximum load in simulation withμ=0.2 friction is marginally lesser than that of the frictionless(μ=0)one while elastic recovery of indentation withμ=0.2 is higher to some extent.

Tungsten nanoparticle-strengthened copper composite prepared by a sol–gel method and in-situ reaction

Tungsten nanoparticle-strengthened Cu composites were prepared from nanopowder synthesized by a sol–gel method and in-situ hydrogen reduction.The tungsten particles in the Cu matrix were well-dispersed with an average size of approximately 100–200 nm.The addition of nanosized W particles remarkably improves the mechanical properties,while the electrical conductivity did not substantially decrease.The Cu–W composite with 6 wt%W has the most comprehensive properties with an ultimate strength of 310 MPa,yield strength of 238 MPa,hardness of HV 108 and electrical conductivity of 90%IACS.The enhanced mechanical property and only a small loss of electrical conductivity demonstrate the potential of this new strategy to prepare W nanoparticle-strengthened Cu composites.

PHASE EXTENSION AND STRUCTURE ANALYSIS BY THE MAXIMUM ENTROPY METHOD

Excellent results are obtained in structure analysis with jew phases of structure factors by the maximum-entropy method (MEM) for CaGaN PbCO3 and ReBe22 single crystals. The computation time and memory space are minimized by symmetry operations so that structure analysis by the MEM can be carried out with a personal computer.

The efficiency and accuracy of probability diagram, spatial statistic and fractal methods in the identification of shear zone gold mineralization: a case study of the Saqqez gold ore district,NW Iran

In this study,geochemical anomaly separation was carried out with methods based on the distribution model,which includes probability diagram(MPD),fractal(concentration-area technique),and U-statistic methods.The main objective is to evaluate the efficiency and accuracy of the methods in separation of anomalies on the shear zone gold mineralization.For this purpose,samples were taken from the secondary lithogeochemical environment(stream sediment samples)on the gold mineralization in Saqqez,NW of Iran.Interpretation of the histograms and diagrams showed that the MPD is capable of identifying two phases of mineralization.The fractal method could separate only one phase of change based on the fractal dimension with high concentration areas of the Au element.The spatial analysis showed two mixed subpopulations after U=0 and another subpopulation with very high U values.The MPD analysis followed spatial analysis,which shows the detail of the variations.Six mineralized zones detected from local geochemical exploration results were used for validating the methods mentioned above.The MPD method was able to identify the anomalous areas higher than 90%,whereas the two other methods identified 60%(maximum)of the anomalous areas.The raw data without any estimation for the concentration was used by the MPD method using aminimum of calculations to determine the threshold values.Therefore,the MPD method is more robust than the other methods.The spatial analysis identified the detail soft hegeological and mineralization events that were affected in the study area.MPD is recommended as the best,and the spatial U-analysis is the next reliable method to be used.The fractal method could show more detail of the events and variations in the area with asymmetrical grid net and a higher density of sampling or at the detailed exploration stage.

Microwave absorption properties regulation and bandwidth formula of oriented Y_(2)Fe_(17)N_(3-δ)@SiO_(2)/PU composite synthesized by reduction-diffusion method

As concepts closely related to microwave absorption properties,impedance matching and phase matching were rarely combined with material parameters to regulate properties and explore related mechanisms.In this work,reduction–diffusion method was innovatively applied to synthesize rare earth alloy Y_(2)Fe_(17).In order to regulate the electromagnetic parameters of absorbers,the Y_(2)Fe_(17)N_(3-δ)particles were coated with silica(Y_(2)Fe_(17)N_(3-δ)@SiO_(2))and absorbers with different volume fractions were prepared.The relationship between impedance matching,matching thickness,and the strongest reflection loss peak(RLmin)was presented obviously.Compared to the microwave absorption properties of Y_(2)Fe_(17)N_(3-δ)/PU absorber,Y_(2)Fe_(17)N_(3-δ)@SiO_(2)/PU absorbers are more conducive to the realization of microwave absorption material standards which are thin thickness,light weight,strong absorbing intensity,and broad bandwidth.Based on microwave frequency bands,the microwave absorption properties of the absorbers were analyzed and the related parameters were listed.As an important parameter related to perfect matching,reflection factor(√ε_(r)/μ_(r))was discussed combined with microwave amplitude attenuation.According to the origin and mathematical model of bandwidth,the formula of EAB(RL<-10 dB)was derived and simplified.The calculated bandwidths agreed well with experimental results.

Numerical Solutions of the Classical and Modified Buckley-Leverett Equations Applied to Two-Phase Fluid Flow

Climate change is a reality. The burning of fossil fuels from oil, natural gas and coal is responsible for much of the pollution and the increase in the planet’s average temperature, which has raised discussions on the subject, given the emergencies related to climate. An energy transition to clean and renewable sources is necessary and urgent, but it will not be quick. In this sense, increasing the efficiency of oil extraction from existing sources is crucial, to avoid waste and the drilling of new wells. The purpose of this work was to add diffusive and dispersive terms to the Buckley-Leverett equation in order to incorporate extra phenomena in the temporal evolution between the water-oil and oil-water transitions in the pipeline. For this, the modified Buckley-Leverett equation was discretized via essentially weighted non-oscillatory schemes, coupled with a three-stage Runge-Kutta and a fourth-order centered finite difference methods. Then, computational simulations were performed and the results showed that new features emerge in the transitions, when compared to classical simulations. For instance, the dispersive term inhibits the diffusive term, adding oscillations, which indicates that the absorption of the fluid by the porous medium occurs in a non-homogeneous manner. Therefore, based on research such as this, decisions can be made regarding the replacement of the porous medium or the insertion of new components to delay the replacement.

A new fully quantum-mechanical method used to calculate the collisional broadening coefficients and shift coefficients of Rb D_1 lines perturbed by noble gases He and Ar

In this work, a new full quantum method is proposed to calculate the broadening and shift coefficients of the D1 line in neutral collision. Based on the variable phase approach and Baranger theory, this method calculates the scattering phase shift instead of scattering matrix elements in order to simplify the calculation. As an illustration, this method is used to calculate the broadening and shift coefficients of the absorption lines of alkali metal atom Rb, as it collides with buffer gas He and Ar, in a temperature range from 150 K to 800 K. With a comparison with other calculations and experiment measurements, the reasonable agreements in all cases demonstrate the validity and simplicity of this method.

Synthesis and characterization of Fe_3Al intermetallic nanopowder by hydrogen arc plasma method (HP)

Nanostructured Fe3Al intermetallic compounds were produced by using hydrogen arc plasma method（HP）. The microstructures of the nano Fe3Al were characterized by means of XRD, DSC-TG and TEM. The results shows that the intermetallic compounds have ordered B2 structure and the average particle of the as synthesized is about 45nm. The B2 structure changes to highly ordered DO3 structure after annealing in vaccum at 480℃. The temperature of phase transformation is 545.3℃.

NUMERICAL SIMULATION OF ANNULAR PHASED ARRAY OF DIPOLE ANTENNAS USING THE FD-TD METHOD

The problem for calculating near fields of EM radiation systems by using the finitedifference time domain(FD-TD)method are discussed and the annular phased array of dipoleantennas has been simulated numerically by use of the FD-TD method.For a test run thenear field and current distribution of the single dipole antenna are calculated.The near fieldsof the annular phased array of dipole antennas in central region filled with deionized water arecomputed and the interaction of near fields with an anatomically-based inhomogeneous model ofhuman torso is considered as well.

Numerical Solution of the Rotating Shallow Water Flows with Topography Using the Fractional Steps Method

The two-dimensional nonlinear shallow water equations in the presence of Coriolis force and bottom topography are solved numerically using the fractional steps method. The fractional steps method consists of splitting the multi-dimensional matrix inversion problem into an equivalent one dimensional problem which is successively integrated in every direction along the characteristics using the Riemann invariant associated with the cubic spline interpolation. The height and the velocity field of the shallow water equations over irregular bottom are discretized on a fixed Eulerian grid and time-stepped using the fractional steps method. Effects of the Coriolis force and the bottom topography for particular initial flows on the velocity components and the free surface elevation have been studied and the results are plotted.

Synthesis of Codon-optimized Human Interleukin-18 Gene by Combination of Chemical and Enzymatic Method

According to the amino acid sequence and codon preference of E. coli, the human interleukin-18（IL-18） gene was optimized to avoid the rare codons. The total length of the synthesized gene is 571 bp; 18 oligonucleotides, DNA fragments were designed and synthesized by the phosphoramidite four-step chemical method. The whole DNA sequence was synthesized by a one-step total gene synthesis method, and then inserted in pUC18 vector. Five positive clones identified by blue-white colony screening were sent to Shanghai Sangon Biological Engineering Technology and Service Co., Ltd. for sequencing. The sequencing result shows that one clone contained the complete correct gene in all the five positive clones.

Solid-phase extraction of trace Au(Ⅲ) with SDG and determination by the catalytic spectrophotometric method

The new catalytic kinetic spectrophotometric method for Au（III） determination was developed and validated. It was based on the catalytic effect of gold on the oxidation of sudan red III by ammonium peroxodisulfate （（NH4）2S2O8） with nitrilo triacetic acid as an activator in microemulsion and H2SO4 medium. Under optimum conditions, there was the linearity of the calibration curve in the concentration range from 0 to 20 μg/L Au（Ⅲ） at 520 nm. The relative standard deviation was 3.0% with a correlation coefficient of 0.9986. The detection limit achieved was 9.75 × 10^-5 μg/mL. A new method using a column packed with sulfhydryl dextrose gel （SDG） as a solid-phase extractant has been developed for the preconcentration and separation of Au（Ⅲ） ions. The method has been applied to the determination of trace gold with satisfactory results.

The Qualitative and Quantitative Methods of Kovalevskys Case

The phase portrait of the functions obtained by Hamilton-Jacobi equations is substantiated, and the classification of singular points is found, and the bifurcation diagram for the problem is studied. The numerical calculation by using Poincaré surface section is used to get the invariant tori for our problem.

A LOW-PRESSURE AND ONE-STEP METHOD FOR THE SYNTHESIS OF ALKYLIDYNETRICOBALT NONACARBONYL CLUSTERS:RCCo_8(CO)_9

Metal clusters RCCo_3(CO)_9(R-H,C1,Br,CH_3,Ph) were prepared in 18.8-57.3% yields from the reaction of cobalt(Ⅱ)salt and RCX_a under mild PTC conditions(latm CO,25℃).The cobalt salt was reduced to Co(CO)_4 in the presence of Na_3S_2O_4.

Stochastic Second-Order Two-Scale Method for Predicting the Mechanical Properties of Composite Materials with Random Interpenetrating Phase

In this paper,a stochastic second-order two-scale(SSOTS)method is proposed for predicting the non-deterministic mechanical properties of composites with random interpenetrating phase.Firstly,based on random morphology description functions(RMDF),the randomness of the material properties of the constituents as well as the correlation among these random properties are fully characterized through the topologies of the constituents.Then,by virtue of multiscale asymptotic analysis,the random effective quantities such as stiffness parameters and strength parameters along with their numerical computation formulae are derived by a SSOTS strategy combined with the Monte-Carlo method.Finally,the SSOTS method developed in this paper shows an excellent computational accuracy,and therefore present an important advance towards computationally efficient multiscale modeling frameworks considering microstructure uncertainties.

Comparative Study of the Geomagnetic Activity Effect on foF2 Variation as Defined by the Two Classification Methods at Dakar Station over Solar Cycle Phases

This paper aims to establish a comparison between both geomagnetic activity classification methods on foF2 diurnal variation over solar cycle phases. It concerns first a comparison of geomagnetic activity occurrences according to both classification methods;and second the geomagnetic effect on foF2 diurnal variation profiles as defined for the equatorial latitudes. The occurrences of the different disturbed geomagnetic activities (recurrent activity (RA), shock activity (SA) and fluctuant activity (FA)) according to both classifications (ancient classification (AC) and new classification (NC)) have been studied at Dakar ionosonde station (Lat: 14.8°N;Long: 342.6°E). Regarding both classifications, the RA occurs more during the decreasing phase. And it’s observed that the RA occurs the most during the increasing phase for the AC and during the minimum phase for the NC. The maximum gap of occurrence () between both classifications is -11.1% (for the negative value which is observed during the increasing phase) and +16.74% (for the positive one which is observed during the decreasing phase). The occurrence of the SA in relation with both classifications is the lowest during the minimum phase and the maximum occurrence is observed during the maximum and decreasing phases, for the AC, with a value close to 37% and for the NC at the maximum phase with a percentage of 54.47%. The maximum gap of occurrence () between both classifications is -17.85% (for the negative value which is observed at maximum phase) and +13.53% (for the positive one which is observed during the decreasing phase). For both classifications, the FA occurs the least during the minimum phase and the most during the maximum phase for the AC and at maximum and decreasing phases with percentage values of occurrence of roughly 37% for the NC. The maximum gap of occurrence () between both classifications is -10% (for the negative value which is observed during the decreasing phase) and +20.11% (for the positive one which is observed during the maximum phase). foF2 diurnal profiles throughout solar cycle phases concerning the AC and the NC have been compared. The FA diurnal profiles don’t present a difference. The RA and the SA present a difference during minimum and increasing phases and the least at maximum and decreasing phases.