三维数值仿真研究锗硅异质结双极晶体管总剂量效应

为探索锗硅异质结双极晶体管(SiGe HBT)总剂量效应的损伤机理,采用半导体器件三维模拟工具(TCAD),建立电离辐照总剂量效应损伤模型,分析比较电离辐射在SiGe HBT不同氧化层结构的不同位置引入陷阱电荷缺陷后,器件正向Gummel特性和反向Gummel特性的退化特征,获得SiGe HBT总剂量效应损伤规律,并与⁶⁰Coγ辐照实验进行对比.结果表明:总剂量辐照在SiGe HBT器件中引入的氧化物陷阱正电荷主要在pn结附近的Si/SiO₂界面处产生影响,引起pn结耗尽区的变化,带来载流子复合增加,最终导致基极电流增大、增益下降;其中EB Spacer氧化层中产生的陷阱电荷主要影响正向Gummel特性,而LOCOS隔离氧化层中的陷阱电荷则是造成反向Gummel特性退化的主要因素.通过数值模拟分析获得的SiGe HBT总剂量效应损伤规律与不同偏置下⁶⁰Coγ辐照实验的结论符合得较好.     

含缺陷的二维CuI光电性质的第一性原理计算

基于密度泛函理论计算了本征缺陷时二维CuI的光电特性,分析了能带结构以及复介电函数.本征2D CuI的带隙值为1.56 eV,为直接带隙半导体;I和Cu缺陷的引入使2D CuI的带隙值小,Cu缺陷的引入并未改变2D CuI的带隙方式,而I缺陷的引入使2D CuI变为间接带隙半导体.光学性质计算结果表明本征2D CuI的静介电函数为2.47, I缺陷的引入对2D CuI的静介电函数影响较小,但是在Cu缺陷时2D CuI的静介电函数急剧增大.     

Analytical performance of Compton/Rayleigh signal ratio by total reflection X-ray fluorescence (TXRF): A potential methodological tool for sample differentiation

The high sensitivity Compton and Rayleigh X-ray scattering signals can be used to gain valuable information on the chemical composition of various matrices, by exploiting the ratio of those signals as a function of the effective atomic number (Z_eff). Neither total reflection X-ray fluorescence (TXRF) nor the effect of the experimental setup, including sample preparation, X-ray excitation source selection, and band deconvolution procedure, has been assessed in this kind of approach. Here, a Compton/Rayleigh ratio and Z_eff-based TXRF method was set up and tested as an analytical tool for milk samples differentiation. The method was developed using a 90° scattering angle and assessed using different X-ray excitation sources: a molybdenum tube (Mo Kα 17.5 KeV) and a tungsten tube (W Lα 8.5 KeV and W-Brems 35 KeV). The evaluation of independent Compton and Rayleigh signals was performed by non-Gaussian and Gaussian curve resolution methods, and both height and area-based calculations were evaluated. Different sample preparation conditions were assessed. By using 11 standard materials, a calibration curve for Compton/Rayleigh ratio versus Z_eff was established. The method was tested to determine the Z_eff of milk samples, which enabled its use as a parameter to differentiate them. Good precisions were obtained with the Mo excitation source and the area-based calculations, which allowed to differentiate undiluted milk samples by species, treatment, and fat content according to their Compton/Rayleigh ratio. This simple and rapid method has the potential to be used for the differentiation of various types of samples, including liquids, solids, and aerosols.     

Quantum and quasiclassical dynamics of C(3P)+H2(1∑+g)→ H(2S)+CH(2Π)reaction:Coriolis coupling effects and stereodynamics

The dynamics of C+H2 → H+CH reaction is theoretically studied using the quasiclassical trajectory and quantum mechanical wave packet methods.The analysis of rea...     

Bounded speed of propagation for solutions to radiative transfer equations

The Radiative Transfer Equation is the nonlinear transport equation

用晶格玻尔兹曼方法研究螺旋波的产生机制和演化行为

采用五速正方晶格玻尔兹曼模型，由晶格玻尔兹曼方程推导得到了反应扩散方程.分析了Selkov反应扩散系统螺旋波的形成机制.零流边界条件下计算机数值模拟螺旋波的形成和破碎过程，发现Selkov反应扩散系统的失稳属于Doppler失稳.改变参数模拟系统的演化行为，发现不同的参数下系统可能到达三种不同的状态：均匀定态、混沌状态和螺旋波. 关键词： 晶格玻尔兹曼方法 螺旋波 计算机模拟     

SnO2 thin films grown by pulsed Nd:YAG laser deposition

SnO₂ thin films have been deposited on glass substrates by pulsed Nd:YAG laser at different oxygen pressures, and the effects of oxygen pressure on the physical properties of SnO₂ films have been investigated. The films were deposited at substrate temperature of 500°C in oxygen partial pressure between 5.0 and 125 mTorr. The thin films deposited between 5.0 to 50 mTorr showed evidence of diffraction peaks, but increasing the oxygen pressure up to 100 mTorr, three diffraction peaks (110), (101) and (211) were observed containing the SnO₂ tetragonal structure. The electrical resistivity was very sensitive to the oxygen pressure. At 100 mTorr the films showed electrical resistivity of 4×10⁻² Ω cm, free carrier density of 1.03×10¹⁹ cm⁻³, mobility of 10.26 cm² V⁻¹ s⁻¹ with average visible transmittance of ∼87%, and optical band gap of 3.6 eV.     

Analysis of confiscated fireworks using Raman spectroscopy assisted with SEM‐EDS and FTIR

A forensic analysis of several samples of pyrotechnic artefacts was performed by Raman spectroscopy assisted by scanning electron microscopy/energy‐dispersive X‐ray spectroscopy (SEM‐EDS) and Fourier transform infrared (FTIR) analysis. Among the components, several nitrates, ammonium perchlorate, nitrocellulose, metallic titanium particles and shellac were detected. The combination of Raman spectroscopy and SEM‐EDS showed very useful performance. All components were detected by Raman spectroscopy except for shellac, kaolinite and titanium particles, which were not conclusive enough and had to be determined by FTIR and EDS. In contrast, many compounds were not detected by FTIR. Copyright © 2011 John Wiley & Sons, Ltd.     

Finite element approximation of nematic liquid crystal flows using a saddle-point structure

In this work, we propose finite element schemes for the numerical approximation of nematic liquid crystal flows, based on a saddle-point formulation of the director vector sub-problem. It introduces a Lagrange multiplier that allows to enforce the sphere condition. In this setting, we can consider the limit problem (without penalty) and the penalized problem (using a Ginzburg–Landau penalty function) in a unified way. Further, the resulting schemes have a stable behavior with respect to the value of the penalty parameter, a key difference with respect to the existing schemes. Two different methods have been considered for the time integration. First, we have considered an implicit algorithm that is unconditionally stable and energy preserving. The linearization of the problem at every time step value can be performed using a quasi-Newton method that allows to decouple fluid velocity and director vector computations for every tangent problem. Then, we have designed a linear semi-implicit algorithm (i.e. it does not involve nonlinear iterations) and proved that it is unconditionally stable, verifying a discrete energy inequality. Finally, some numerical simulations are provided.     

Abnormal positive thermal expansion in Mo substituted ZrW2O8

ZrW₂O₈ displays the unusual property of an isotropic bulk contraction in volume as a function of temperature. We report here on the positive thermal expansion (PTE) property caused by substituting Mo for W sites in ZrW₂O₈ at room temperature. The room temperature crystal structure of ZrW_2−xMo_xO₈ compounds, which were synthesized using a low temperature route, could be divided into ordered phase with α-ZrW₂O₈ structure (0≤x≤0.5) and disordered phase with β-ZrW₂O₈ (0.5<x≤1.5) and c-ZrMo₂O₈ structure (1.5<x≤2). ZrW_2−xMo_xO₈ adopting β-ZrW₂O₈ structure shows abnormal PTE property at room temperature due to the existence of water molecules, while ZrW_2−xMo_xO₈ adopting the other two structures (α-ZrW₂O₈ and c-ZrMo₂O₈) shows negative thermal expansion (NTE) property from room temperature until decomposition for α-ZrW₂O₈ structure or trigonal phase transition for c-ZrMo₂O₈ structure. The reason lies in the fact that the oxygen migration caused by the Mo substitution leads to the re-arrangement of W(Mo)O₄ tetrahedra lying along the 3-fold axis, only particular W/Mo ratio (0.5<x≤1.5) produces a special crystal structure, which allows the entrance of water molecules.