X-ray photoelectron spectroscopy characterization of oxidated Si particles formed by pulsed ion-beam ablation

X-ray photoelectron spectroscopy (XPS) is used to probe oxidation states of Si species in particles deposited using a pulsed ion-beam evaporation method. The effects of He ambient gas, ion beam intensity and post-treatments on the oxides composition and oxygen content have been studied. It is found that presence of He ambient gas led to a profound oxidation of Si species as compared to that prepared in vacuum at the same ion-beam ablation energy, i.e. both increase of SiO₂ component and oxygen concentration in the oxides coverage. The deposition in He also resulted in an increase of oxygen concentration even under lower ablation intensity, but a higher Si suboxides concentration. It is revealed that the reaction between Si and O was controlled by the ion beam intensity (temperature of Si plasma) and the gas ambient (collision probability of Si and O species). The difference in structure of oxide layers for samples obtained under various conditions is discussed based on the results of XPS analyses.     

Monte Carlo simulation of grain growth in polycrystalline materials

Understanding the kinetics of grain growth, under the influence of second phase (such as impurities, voids and bubbles) is fundamental to advances in the control of microstructural evolution. As a precursor to this objective, we have investigated the grain growth kinetics in a polycrystalline material using a standard Q-state Potts’ model under Monte Carlo settings. Based on physical reasoning, new modifications are suggested to circumvent some of the disadvantages in the basic Potts model. The efficacy of these modifications vis-à-vis the basic model is verified. The influence of second phase particles on the impurity loaded grain boundaries is investigated for the study of grain growth kinetics.     

Validation of an optimization procedure to improve low frequency characteristics of rooms

A set of experiments was carried out to validate an optimization procedure based on finite element method (FEM). The idea of the procedure, fully presented in previous edition of this journal [Zhu X, Zhu Z, Cheng J. Using optimized surface modifications to improve low frequency response in a room. Appl Acoust 2004;65:841-60], is to produce an optimal geometry modification on the wall for improving low frequency sound uniformity in small rooms. Four experimental models were set up with a scale of 1:5. One was modified according to the optimized result and the others were treated with no optimization consideration. Measured frequency responses of four rooms were compared with numerical results calculated by FEM models. The transient responses in these rooms were also measured and analyzed. The agreements between calculation and measurement are satisfactory though the discrepancies due to the uncertainty of acoustic behavior of the room boundaries remain. The optimization procedure has been supported by the results that the optimized room produces the flattest frequency response and also the most smooth energy decay within the frequency range studied. The reductions of response fluctuation have reached 4.3 dB for prediction and 2.6 dB for measurement, respectively.     

MgS和MgSe带隙的GW近似修正

应用基于密度泛函理论下的局域密度近似（DFT-LDA）方法研究了岩石矿结构的 MgS和MgSe的晶体结构和能带结构。本文得到稳定结构的晶格常数与已知实验数据相吻合,MgS和MgSe都是间接带隙半导体且带隙值分别为2.74 eV和1.70 eV。尽管本文利用LDA计算的带隙值与之前的理论值很接近,但是局域密度近似常常低估带隙值。因此应用准粒子GW（G是格林函数,W是库伦屏蔽相互作用）近似 对MgS和MgSe的带隙值进行了修正,其结果分别为4.15eV和2.74 eV。GW近似的结果应该是合适的值。     

纯Cr2O3包覆Li4Ti5O12微球的制备及其储锂性能研究

The pure Cr₂O₃ coated Li₄Ti₅O₁₂ microspheres were prepared by a facile and cheap solutionbased method with basic chromium(III) nitrate solution (pH=11.9). And their Li-storage properties were investigated as anode materials for lithium rechargeable batteries. The pure Cr₂O₃ works as an adhesive interface to strengthen the connections between Li₄Ti₅O₁₂ particles, providing more electric conduction channels, and reduce the inter-particle resistance. Moreover, LixCr₂O₃, formed by the lithiation of Cr₂O₃, can further stabilize Li₇Ti₅O₁₂ with high electric conductivity on the surface of particles. While in the acid chromium solution (pH=3.2) modification, besides Cr₂O₃, Li₂CrO₄ and TiO₂ phases were also found in the final product. Li₂CrO₄ is toxic and the presence of TiO₂ is not welcome to improve the electrochemical performance of Li₄Ti₅O₁₂ microspheres. The reversible capacity of 1% Cr₂O₃-coated sample with the basic chromium solution modification was 180 mAh/g at 0.1 C, and 134 mAh/g at 10 C. Moreover, it was even as high as 127 mAh/g at 5 C after 600 cycles. At-20℃, its reversible specific capacity was still as high as 118 mAh/g.     

复杂自动化控制系统故障诊断方法研究与改进

近年来,自动化在工业生产、航空航天等不同领域得到了广泛运用,自动化控制系统随之孕育而生;自动化发展不断推进,长期生产使用中,传统自动化控制系统故障诊断方法出现多数据环境下故障诊断率低、多因素分析算法跟进力不足等问题;针对问题出现原因根源,提出复杂自动化控制系统故障诊断方法改进设计;采用数据罩筛引擎(GEP),对复杂自动化控制系统数据进行收集、整理、分析、模型创建;通过运行单元动态判断模块(DNGF)与多因素基准库(VSFVR)配合,完成对传统复杂自动化控制系统复杂环境下故障诊断方法的改进;通过仿真实验证明,复杂自动化控制系统故障诊断方法的改进,各项测试参数优于传统方法。     

基于磁偶极子构造法几何建模的铁管磁异常正演

地下铁磁性金属管线受地球原磁场磁化产生磁场会改变原地磁场分布,而形成地磁异常;通过管道几何建模和磁偶极子构造法对管道磁异常进行正演分析;首先利用近似的立方体单元对管道进行几何建模并输出相应的立方体单元体积和中心坐标;然后将立方体单元近似为磁偶极子,使用磁偶极子构造法进行管道磁异常正演;最后研究了距径比,磁倾角,磁偏角,地球场强,管道材料磁化率对管道磁异常正演的影响;研究结果表明:在6倍距径比外,同一球面上测点磁异常值接近一致, 且管道磁异常正演结果不受磁倾角,磁偏角和材料磁化率的影响;随着地磁场强度增大,管道磁异常呈线性增大;研究成果将为自主研发高精度磁异常地下管线探测设备奠定理论基础。     

Investigation the effects of the excess Pb content and annealing conditions on the microstructure and ferroelectric properties of PZT (52-48) films prepared by sol-gel method

The effects of the PbO volatilization, excess Pb content of PbZr_0.52Ti_0.48 (PZT) precursor, PbTiO₃ (PT) seeding layers and annealing condition on the microstructures, surface morphologies, preferred orientation and ferroelectric properties of PbZr_0.52Ti_0.48 films were systematically investigated. PZT films with a variety of excess Pb (0-20%) were spin-deposited on Si(1 0 0) and Pt(1 1 1)/Ti/SiO₂/Si(1 0 0) substrates by sol-gel technique. The films composition, Pb/Zr/Ti/O atom rate and Pb loss were semiquantitative analyzed by X-ray photoelectron spectrometer (XPS). When the excess Pb of PZT precursor was 10%, the Pb/Zr/Ti/O atomic rate of the fabricated films was very close to the designed rate of 1:0.52:0.48:3. The XRD and AFM investigations confirmed that PT seeding layer promoted the PZT films perovskite phase transformation and grains growth with (1 1 0) plane preferred orientation, accordingly lowered perovskite phase crystallization temperature and reduced Pb loss. The PZT films annealed in O₂ flow demonstrated better microstructure and ferroelectric properties comparing with films annealed in air by double remnant polarization increase and 8% coercive field increase. The underlying mechanism was also investigated.     

ToF-SIMS analysis of a fluorocarbon-grafted PET with a gold cluster ion source

Cluster ions have been recognized as a superb primary species in time of flight secondary ion mass spectroscopy (ToF-SIMS) compared with monatomic primary ions, as they significantly enhance the secondary ion yields from bulk samples. Self-assembled monolayers provide an important system for studying the fundamental mechanism involved in the yield enhancement.We used a gold cluster ion source to analyze a new type of self-assembled monolayer: a fluorocarbon-grafted polyethylene terephthalate. In addition to the structure details, which helped to understand the grafting mechanism, ToF-SIMS analysis revealed that fluorocarbon secondary ion yield enhancements by cluster ions were due to the enhanced sputter efficiency. A larger information depth may also be expected from the enhancement. Both mathematical definitions of damage cross-section and disappearance cross-section were revisited under a new context. Another cross-section parameter, sputter cross-section, was introduced to differentiate the beam induced sputter process from damage process.