Elimination of Voids at Interface of <Emphasis Type="Italic">β</Emphasis>-SiC Films and Si Substrate by Laser CVD

Void-free β-SiC films were deposited on Si(001) substrates by laser chemical vapor deposition using hexamethyldisilane (HMDS) as the precursor. The effect of the time of introducing HMDS, i e, the substrate temperature when HMDS introduced (T_in), on the preferred orientation, surface microstructure and void was investigated. The orientation of the deposited SiC films changed from <001> to random to <111> with increasing T_in. The surface showed a layer-by-layer microstructure with voids above T_in ? 773 K, and then transformed into mosaic structure without voids at T_in= 298 K. The mechanism of the elimination of voids was discussed. At T_in =298 K, Si surface can be covered by an ultrathin SiC film, which inhibits the out-diffusion of Si atoms from substrate and prohibites the formation of the voids.     

Composition dependence of phase structure and electrical properties of (1−y)Bi1−xNdxFeO3−yBiScO3 ceramics

In this work, we have studied a new lead-free ceramic of(1-y)Bi_(1-x)Nd_xFeO_(3-y)BiScO_3(0.05≤x≤0.15 and 0.05≤y≤0.15) prepared by a conventional solid-state method, and the influences of Nd and Sc content on their phase structure and electrical properties were investigated in detail. The ceramics with 0.05≤x≤0.10 and 0.05≤y≤0.15 belong to an R3 c phase, and the rhombohedral-like and orthorhombic multiphase coexistence is established in the composition range of 0.125≤x≤0.15 and y=0. The electrical properties of the ceramics can be enhanced by modifying x and y values. The highest piezoelectric coefficient(d33~51 p C/N) is obtained in the ceramics with x=0.075 and y=0.125, which is superior to that of a pure BiFeO_3 ceramic. In addition, a lowest dielectric loss(tan δ~0.095%, f=100 k Hz) is shown in the ceramics with x=0.15 and y=0 due to the involvement of low defect concentrations, and the improved thermal stability of piezoelectricity at 20–600oC is possessed in the ceramics. We believe that the ceramics can play a meaningful role in the high-temperature lead-free piezoelectric applications.     

Experimental research on the heating performance of a single cylinder refrigerant injection rotary compressor heat pump with flash tank

A single cylinder rotary compressor was applied in the refrigerant injection air-source heat pump to improve the heating performance in cold regions. In this study, the performance of an R410 A single cylinder rotary compressor vapor injection(SCRCVI) system was measured and analyzed by varying the compressor frequency f and injection pressure Pi njat the ambient temperature To d=–10°C.The experimental results indicated that an optimum injection pressure to gain the maximum COP_h (coefficient of performance) existed in the SCRCVI cycle. However, the maximum COP_h of the SCRCVI system decreased as the increase of the frequency, and the maximum COPhwas even lower than that of the CSVC system at high compressor frequency. Therefore, in view of the energy saving and emission reduction, the SCRCVI system should be switched to single stage compression system when the heating capacity demand could be satisfied at high compressor frequency f. Compared to the conventional single-stage vapor compression(CSVC) system, refrigerant injection could enhance the heating capacities and COP_h by 28.2% and 7.91%, respectively. The average total mass flow rate of the SCRCVI system was 24.68% higher than that of the CSVC system. As the SCRCVI system worked at the optimum injection pressure, the variation trends of the different system parameters were investigated in detail. These trends were reliably used to optimize the refrigerant injection system design and the control strategy. The parameter of(P_(inj)–P_s) could be adopted as the signals to control the opening of the upper stage electronic expansion valve EEV1.     

Reaction mechanism and microstructure evolution of reaction sintered <Emphasis Type="Italic">h</Emphasis>-BN

Hexagonal boron nitride ceramic (h-BN) based on the nitridation of B powders was obtained by reaction sintering method. The effects of sintering temperature on the mechanical properties and microstructure of the resultant products were investigated and the reaction mechanism was discussed. Results showed that the reaction between B and N₂ occurred vigorously at temperatures ranging from 1 000 °C to 1 300 °C, which resulted in the generation of t-BN. When the temperature exceeded 1 450 °C, transformation from t-BN to h-BN began to occur. As the sintering temperature increased, the spherical particles of t-BN gradually transformed into fine sheet particles of h-BN. These particles subsequently displayed a compact arrangement to achieve a more uniform microstructure, thereby increasing the strength.     

Morphology study of oriented SmBCO film deposited by MOCVD

c-axis-oriented SmBa_2Cu_3O_7(SmBCO) films have been deposited on(100)- LaA1O_3(LAO)substrate by metal organic chemical vapor deposition(MOCVD) technique.The effects of deposition temperature(T_(dep)) and total pressure(P_(tot)) on the orientation and microstructure of SmBCO films were investigated.The orientation of SmBCO films transformed from α-axis to c-axis with increasing of T_(dep) from 900 to 1 100℃.At T_(dep)=1 050℃,SmBCO films had c-axis orientation and tetragon surface.At P_(tot)~(dep)=400-800 Pa and T_(dep)=1 050 ℃,totally c-axis-oriented SmBCO films were obtained.The R_(dep) of SmBCO films increased firstly and then decreased with increasing P_(tot).The surface of SmBCO films exhibited tetragon morphology at 1 050 ℃ and400 Pa.Maximum thickness of SmBCO film deposited was 1.2μm at P_(tot)= 600 Pa,and the corresponding R_(dep)was 7.2 μm·h~(-1).     

Improved Breakdown Strength in (Ba<Subscript>0.6</Subscript>Sr<Subscript>0.4</Subscript>)<Subscript>0.85</Subscript>Bi<Subscript>0.1</Subscript>TiO<Subscript>3</Subscript> Ceramics with Addition of CaZrO<Subscript>3</Subscript> for Energy Storage Application

(Ba_0.6Sr_0.4)_0.85Bi_0.1TiO₃ ceramics doped with x wt%CaZrO₃ (x= 0-10) were synthesized by solid-state reaction method. The effects of CaZrO₃ amount on the dielectric properties and structure of (Ba_0.6Sr_0.4)_0.85Bi_0.1TiO₃ ceramics were investigated. X-ray diffraction results indicated a pure cubic perovskite structure for all samples and that the lattice parameter increased till x=5 and then slightly decreased. A homogenous microstructure was observed with the addition of CaZrO₃. Dielectric measurements revealed a relaxor-like characteristic for all samples and that the diffusivity γ reached the maximum value of 1.78 at x=5. With the addition of CaZrO₃, the dielectric constant dependence on electric field was weakened, insulation resistivity enhanced and dielectric breakdown strength improved obviously and reached 19.9 kV/mm at x=7.5. In virtue of low dielectric loss (tan δ<0.001 5), moderate dielectric constant (ε_r >1 500) and high breakdown strength (E_b >17.5 kV/mm), the CaZrO₃ doped (Ba_0.6Sr_0.4)_0.85Bi_0.1TiO₃ ceramic is a potential candidate material for high power electric applications.     

Probabilistic composition of cone-based cardinal direction relations

Composition tables play a significant role in qualitative spatial reasoning (QSR). At present, a couple of composition tables focusing on various spatial relations have been developed in a qualitative approach. However, the spatial reasoning processes are usually not purely qualitative in everyday life, where probability is one important issue that should be considered. In this paper, the probabilistic compositions of cone-based cardinal direction relations (CDR) are discussed and estimated by making some assumptions. Consequently, the form of composition result turns to be {(R ₁,P ₁), (R ₂,P ₂), ..., (R _n ,P _n )}, where P _i is the probability associated with relation R _i . Employing the area integral method, the probabilities in each composition case can be computed with the assumption that the target object is uniformly distributed in the corresponding cone regions.     

Effect of oxygen partial pressure on epitaxial growth and properties of laser-ablated AZO thin films

Al-doped ZnO (AZO) thin films were grown on c-sapphire substrates by laser ablation under different oxygen partial pressures (P _O2). The effect of PO2 on the crystal structure, preferred orientation as well as the electrical and optical properties of the films was investigated. The structure characterizations indicated that the as-grown films were single-phased with a wurtzite ZnO structure, showing a significant c-axis orientation. The films were well crystallized and exhibited better crystallinity and denser texture when deposited at higher P _O2. At the optimum oxygen partial pressures of 10 - 15 Pa, the AZO thin films were epitaxially grown on c-sapphire substrates with the (0001) plane parallel to the substrate surface, i e, the epitaxial relationship was AZO (000 1) // Al₂O₃ (000 1). With increasing P _O2, the value of Hall carrier mobility was increased remarkably while that of carrier concentration was decreased slightly, which led to an enhancement in electrical conductivity of the AZO thin films. All the films were highly transparent with an optical transmittance higher than 85 %.     

In-situ TEM study of the dynamic behavior of the graphene-metal interface evolution under Joule heating

The dynamic behavior of the interface between few layer graphene(FLG) and tungsten metal tips under Joule heating has been studied by in-situ transmission electron microscopy(TEM) method. High-resolution and real-time observations show the tungsten tip ‘swallow' carbon atoms of the FLG and ‘spit' graphite shells at its surface. The tip was carbonized to tungsten carbide(WC, W_2 C and WC_x) after this process. A carbon diffusion mechanism has been proposed based on the diffusion of carbon atoms through the tungsten tip and separation from the surface of the tip. After Joule heating, the initial FLG-metal mechanical contact was transformed to FLG-WCx-W contact, which results in significant improvement on electrical conductivity at the interface.     

Density function theory study of electronic,optical and thermodynamic properties of CaN<Subscript>2</Subscript>, SrN<Subscript>2</Subscript> and BaN<Subscript>2</Subscript>

We put forward a first-principles density-functional theory about the impact of pressure on the structural and elastic properties of bulk CaN₂, SrN₂ and BaN₂. The ground state properties of three alkaline earth diazenides were obtained, and these were in good agreement with previous experimental and theoretical data. By using the quasi-harmonic Debye model, the thermodynamic properties including the debye temperature Θ _D, thermal expansion coefficient α, and grüneisen parameter γ are successfully obtained in the temperature range from 0 to 100 K and pressure range from 0 to 100 GPa, respectively. The optical properties including dielectric function ε(?), absorption coefficient α(?), reflectivity coefficient R(?), and refractive index n(?) are also calculated and analyzed.     

Spontaneous Magnetic Transitions and Corresponding Magnetoelastic Properties of Intermetallic Compounds <Emphasis Type="Italic">R</Emphasis>Mn<Subscript>2</Subscript>Ge<Subscript>2</Subscript> (<Emphasis Type="Italic">R</Emphasis>=Gd,Tb and Dy)

The spontaneous magnetic transitions and corresponding magnetoelastic properties of intermetallic compounds RMn₂Ge₂ (R=Gd, Tb and Dy) were investigated by using the X-ray diffraction method and magnetic measurement. The results showed that the compounds experience two magnetic transitions, namely the second-order paramagnetic to antiferromagnetic transition at temperature T_N (T_N=368, 423 and 443 K for GdMn₂Ge₂, TbMn₂Ge₂ and DyMn₂Ge₂, respectively) and the first-order antiferromagnetic - ferrimagnetic transition at temperature T_t (T_t=96, 80 and 40 K for GdMn₂Ge₂, TbMn₂Ge₂ and DyMn₂Ge₂, respectively) as the temperature decreases. The temperature dependence of the lattice constant a(T) displays a negative magnetoelastic anomaly at the second-order transition point T_N and, at the first-order transition T_t, a increases abruptly for GdMn₂Ge₂ and TbMn₂Ge₂, Δa/a about 10^-3. Nevertheless, the lattice constant c almost does not change at these transition points indicating that such magnetoelastic anomalies are mainly contributed by the Mn-sublattice. The transitions of the magnetoelastic properties are also evidenced on the temperature dependence of magnetic susceptibility χ. The first-order transition behavior at T_t is explained by the Kittel mode of exchange inversion.     

Parameter sensitivity and inversion analysis of a concrete faced rock-fill dam based on HS-BPNN algorithm

Considering the complex nonlinear relationship between the material parameters of a concrete faced rock-fill dam(CFRD) and its displacements, the harmony search(HS) algorithm is used to optimize the back propagation neural network(BPNN), and the HS-BPNN algorithm is formed and applied for the inversion analysis of the parameters of rock-fill materials. The sensitivity of the parameters in the Duncan and Chang's E-B model is analyzed using the orthogonal test design. The case study shows that the parameters φ0, K, Rf, and Kb are sensitive to the deformation of the rock-fill dam and the inversion analysis for these parameters is performed by the HS-BPNN algorithm. Compared with the traditional BPNN, the HS-BPNN algorithm exhibits the advantages of high convergence precision, fast convergence rate, and strong stability.     

Effects of electrode on resistance switching properties of ZnMn<Subscript>2</Subscript>O<Subscript>4</Subscript> films deposited by magnetron sputtering

ZnMn₂O₄ films for resistance random access memory (RRAM) were fabricated with different device structures by magnetron sputtering. The effects of electrode on I-V characteristics, resistance switching behavior, endurance and retention characteristics of ZnMn₂O₄ films were investigated. The ZnMn₂O₄ films, using p-Si and Pt as bottom electrode, exhibit bipolar resistive switching (BRS) behavior dominated by the space-charge-limited conduction (SCLC) mechanism in the high resistance state (HRS) and the filament conduction mechanism in the low resistance state (LRS), but the ZnMn₂O₄ films using n-Si as bottom electrodes exhibit both bipolar and unipolar resistive switching behaviors controlled by the Poole-Frenkel (P-F) conduction mechanism in both HRS and LRS. Ag/ZnMn₂O₄/p-Si device possesses the best endurance and retention characteristics, in which the number of stable repetition switching cycle is over 1000 and the retention time is longer than 10⁶ seconds. However, the highest R _HRS/R _LRS ratio of 10⁴ and the lowest V _ON and V _OFF of 3.0 V have been observed in Ag/ZnMn₂O₄/Pt device. Though the Ag/ZnMn₂O₄/n-Si device also possesses the highest R _HRS/R _LRS ratio of 10⁴, but the highest values of V _ON,V _OFF, R _HRS and R _LRS, as well as the poor endurance and retention characteristics.     

Modified k-ω model using kinematic vorticity for corner separation in compressor cascades

A new method of modifying the conventional k-ω turbulence model for corner separation is proposed in this paper. The production term in the ω equation is modified using kinematic vorticity considering fluid rotation and deformation in complex geometric boundary conditions. The corner separation flow in linear compressor cascades is calculated using the original k-ω model, the modified k-ω model and the Reynolds stress model(RSM). The numerical results of the modified model are compared with the available experimental data, as well as the corresponding results of the original k-ω model and RSM. In terms of accuracy, the modified model, which significantly improves the performance of the original k-ω model for predicting corner separation, is quite competitive with the RSM. However, the modified model, which has considerably lower computational cost, is more robust than the RSM.     

Enhanced Ferroelectric Polarization in Laser-ablated Bi<Subscript>4</Subscript>Ti<Subscript>3</Subscript>O<Subscript>12</Subscript> Thin Films by Controlling Preferred Orientation

Polycrystalline Bi₄Ti₃O₁₂ thin films with various fractions of a-axis, c-axis and random orientations have been grown on Pt(111)/Ti/SiO₂/Si substrates by laser-ablation under different kinetic growth conditions. The relationship between the structure and ferroelectric property of the films was investigated, so as to explore the possibility of enhancing ferroelectric polarization by controlling the preferred orientation. The structural characterization indicated that the large growth rate and high oxygen background pressure were both favorable for the growth of non-c-axis oriented grains in the Bi₄Ti₃O₁₂ thin films. The films with high fractions of a-axis and random orientations, i e, f (a-sxis) = 28.3% and f (random) = 69.6%, could be obtained at the deposition temperature of 973 K, oxygen partial pressure of 15 Pa and laser fluence of 4.6 J/cm², respectively. It was also noted that the variation of ferroelectric polarization was in accordance with the evolution non-c-axis orientation. A large value of remanent polarization (2Pr = 35.5 μC/cm²) was obtained for the Bi₄Ti₃O₁₂ thin films with significant non-c-axis orientation, even higher than that of rare-earth-doped Bi₄Ti₃O₁₂ films.     

Studies of antioxidant performance of amine additives in lubricating oil using 3D-QSAR

Available model of 3D-quantitative structure-activity relationship (3D-QSAR, the method of TopomerCoMFA) has been used to establish relationship between antioxidant performances of lubricating oil (trimethylolpropane trioleate, TMPTO) with 15 kinds of amine additives and its molecular structure. Correlation coefficient of the cross-validation (include internal q ² and external q _pred ² ) and conventional correlation coefficient showed the model to be both stable and good predictive. The electron-donating group and larger steric effects group are adopted at the para-position or meta-position of amido on the benzene ring, and suitably decreasing the branch chain near the para-position, these indicate that the antioxidant performance of amine additives can be enhanced. The results not only can help us understanding the rule of antioxidant performance, but also providing guidance(s) to predict antioxidant performance of existing amine additives and to design or modify new amine additives in lubricating oil.     

Characterization of yield stress development of cement paste by electrical resistivity

Yield stress development of cement paste is potentially governed by percolation of 3-dimensional links formed by hydration products on the surface of the particles. It rises steadily at a gradual rate before a sudden increase in rate of growth. In this study, a method was proposed to predict the yield stress development based on the diameter of spread(D) of mini slump cone test and gradient from electrical resistivity measurement(K_m). To evaluate the significance of(D) and(K_m) in terms of yield stress, they were quantitatively compared to the initial yield stress(τ_0) and rate of yield stress growth(K) obtained from a rheometer. A mathematical relationship between the yield stress of cement paste, diameter of spread and electrical resistivity characteristic gradient was developed. The equation developed can be used as an alternative method to estimate yield stress of cement paste.     

Structural and electrical properties of high Curie temperature Aurivillius phase composite ceramics with largely enhanced piezoelectricity

High performance piezoelectric ceramics with high Curie temperatures(TC) are the bottle necks of relevant high temperature devices. In this study, the electrical performance and microstructure of Li and Mn codoped Aurivillius-type composite ceramics with a composition Ca_(0.99-x_Bi_(6.99+x)(Li Mn)_(0.01) Nb Ti_5O_(24)(x = 0–0.8) were systematically investigated. The results indicated that uniform intergrowth structure with a lattice similar to that of the end member CBT could be formed at a low x value(x 0.4). Phase separation occurred when more A-site Ca~(2+) ions were replaced by Bi~(3+) ions. Nevertheless, all composite samples showed d_(33) values about 2 to 3 times of that of the constituent phase Ca Bi_4Ti_4O_(15) and Bi_3 Ti NbO_9 with still a high depolarization temperature. The performance of the samples was found to be related to the density and larger lattice distortion along the polarization a axis. The results also demonstrated that formation of the compound system was an effective way in improving the performance of Aurivillius-type high TC piezoelectric ceramics.     

Synthesis and electrochemical behaviors of <Emphasis Type="Italic">α</Emphasis>-MoO<Subscript>3</Subscript> nanobelts/carbon nanotubes composites for lithium ion batteries

α-MoO₃ nanobelts/carbon nanotubes (CNTs) composites were synthesized by simple hydrothermal method followed by CNTs incorporating, and characterized by X-ray diffraction (XRD) and scanning electron microscopy (SEM). Cyclic voltammogram (CV), electrochemical impedance spectroscopy (EIS), and galvanostatic charge/discharge testing techniques were employed to evaluate the electrochemical behaviors of α-MoO₃ nanobelts /CNTs composites. The results exhibited that compared to bare α-MoO₃ nanobelts, the α-MoO₃ nanobelts/CNTs composites have better electrochemical performances as cathode materials for lithium ion battery, maintaining a reversible specific capacity of 222.2 mAh/g at 0.3 C after 50 cycles, and 74.1% retention of the first reversible capacity. In addition, the Rct value of the α-MoO₃ nanobelts/ CNTs is 13 Ω, much lower than 66 Ω of the bare α-MoO₃ nanobelts. The better electrochemical performances of the α-MoO₃ nanobelts /CNTs composites can be attributed to the effects of the high conductive CNTs network.     

A statistical approach to fit Gaussian part of full-energy peaks from Si(PIN) and SDD X-ray spectrometers

A new statistical fitting approach,named Statistical Distribution-Based Analytic(SDA)method,is proposed to fit single Gaussian-shaped Kαand KβX-ray peaks recorded by Si(PIN)and silicon drift detector(SDD).In this method,we use the discrete distribution theory to calculate standard deviation of energy resolutionσ.The calibration ofσand energy(E)for two detectors between the energy ranges of 4.5–26 keV are also completed by measuring characteristic X-ray spectra of nineteen types of pure elements.With the spectrum fraction(SF)parameter proposed in this paper,the SDA method can be used to resolve overlapping peaks.In measured spectra,the Gaussian part of X-ray peaks can be fitted by a Gaussian function with two parameters,σand SF.This new fitting approach is simpler than traditional methods and it achieves relatively good results when fitting the complex X-ray spectra of national standard alloy samples detected by Si(PIN)and SDD detectors.The2r values are obtained for each spectrum to assess fitting results,and the SDA fitting method gives a preferable fit for the SDD detector.