水合乙酸锌脱水反应的动力学

用等温热重法和非等温热重法研究了Zn(CH3COO) 2·2H2 O的脱水反应 .在 61.1、62 .8、66.2、69.9℃下的等温热重数据 ,由等转化率下的lnt=E/RT +ln[g(α) /A]进行拟合 ,确定了活化能的大小 ;升温速率为 10℃ /min的非等温热重曲线显示 ,Zn(CH3COO) 2·2H2 O的脱水反应发生在 71～ 10 2℃间 ,其数据通过Doyle Zsako法进行拟合 ,以线性相关系数为判据 ,并结合等温热分析拟合结果 ,得到该脱水反应的积分动力学模式函数g(α) =[-ln( 1-α) ]2 / 3、活化能E =10 0 .8kJ/mol、指前因子ln(A/s-1) =3 6.0 9、动力学补偿效应方程为lnA =0 .3 3 3 9E + 2 .0 10 .     

Eu^3+激活氟氧硼酸锗酸盐闪烁玻璃的发光性能

采用传统高温熔融法合成了玻璃组成为B2O3-GeO2-15GdF3-(40-x)Gd2O3-xEu2O3(0≤x≤10)的Eu^3+激活氟氧硼酸锗酸盐闪烁玻璃。在硼锗酸盐玻璃基质中,Gd2O3和GdF3稀土试剂的总含量高达55%,从而确保其密度高于6.4 g/cm^3。闪烁玻璃的光学性能通过光学透过光谱、光致发光光谱、X射线激发发射(XEL)光谱和荧光衰减曲线来表征。玻璃中Gd^3+→Eu^3+离子的能量传递通过激发光谱、发射光谱和Gd^3+-Eu^3+离子间距得到证明,同时也确定了在紫外线和X射线激发下Eu^3+激活氟氧硼酸锗酸盐闪烁玻璃的最佳浓度。Judd-Ofelt理论分析了玻璃中Eu―O键的共价性随Eu^3+掺杂浓度增加而显著增强。Eu^3+激活氟氧硼酸锗酸盐闪烁玻璃在80~470 K温度范围内荧光衰减曲线和发射光谱的温度依赖关系最终证实了其具有较好的发光稳定性。     

三角对称下3d3离子2E态g因子性质研究

采用完全对角化方法,以尖晶石结构的ZnAl2O4:Cr3+,ZnGa2O4:Cr3+和MgAl2O4:Cr3+系列晶体为例,联系晶格局域结构,对三角对称下3d3离子2E态g因子性质进行了研究.研究中考虑了包括自旋与自旋相互作用、自旋与另一轨道相互作用以及轨道与轨道相互作用在内的微小磁相互作用.对ZnAl2O4:Cr3+ 体系2E态g因子给出了理论解释,说明了ZnGa2O4:Cr3+体系的g‖(E′)应为负值,并从理论上预测了MgAl2O4:Cr3+体系2E态g因子数值.研究表明,微小磁相互作用对2E态g因子的贡献较大,在计算中是不可忽略的;相对于基态g因子来说,2E态g因子随晶格局域结构变化较为敏感.     

气相中2Sr＋, 2Ba＋介入N2O与H2反应的理论研究

本文运用密度泛函理论DFT-UB3LYP方法, 对2Sr+、2Ba+采用相对论校正赝势基组SDD, 对N、O、H采用6-311+G(2d,p)基组, 计算研究了气相中碱土金属离子2Sr+、2Ba+介入N2O (1∑+) 和 H2 (1∑+g)反应的微观机理, 优化了二重态势能面上各反应物、中间体和过渡态的构型特征, 用频率分析方法和内禀反应坐标方法(IRC)对过渡态进行了验证. 运用Kozuch撰写的能量跨度模型(Energetic Span Model, δE),确定了决定循环反应速率的决速过渡态(TDTS)和决速中间体(TDI), 并利用转化频率(Turnover Frequency,TOF)评估了催化性能. 结果表明：从热力学性质分析2Sr+、2Ba+离子对N2O (1∑+) 和 H2 (1∑+g)反应很好的催化作用,可得到目标产物N2 (1∑+g) 和 H2O (1A1), 却从动力学性质分析主要反应产物为N2、SrOH+ (BaOH+)和H, 最终动力学因素在主题反应中起决定性作用,以上结论与实验观测结果相符.     

压应力场下PLZT铁电陶瓷的原位Raman观测

铁电陶瓷材料在外场加载下的畴变所引起的材料结构变化,是导致材料性能衰变和破坏的主要原因,Raman光谱技术是一种研究铁电材料畴变和微结构变化的无损伤性及原位微区的观测方法。采用传统固相法合成Zr/Ti原子比为53/478的掺镧锆钛酸铅(PLZT)铁电陶瓷材料 ,采用X射线衍射仪和扫描电子显微镜及Precision_LC铁电测试系统分别对试样进行结构形貌表征和铁电物理性能测试,利用自制的应力加载装置与Raman光谱仪联用,实现不同压应力场作用下试样的原位Raman谱测试,考察和分析Raman谱软模E(2TO)和E(3TO+2LO)+B1的峰强和峰位随散射偏振方向的变化规律。结果表明,不同压应力场下Raman软模E(2TO)和E(3TO+2LO)+B1的峰强均随散射偏振角度呈现正弦式的变化规律,在60°偏振角度上软模峰强最大,在150°偏振角度上软模峰强最小。随着压应力场的增加,在0°和60°偏振角度获得的软模峰强随应力场的增加呈现明显的下降趋势,而在90°和150°偏振角度获得的软模峰强基本不变。压应力场变化对PLZT陶瓷的Raman软模E(2TO)和E(3TO+2LO)+B1的峰位均不产生影响。     

吸能核反应中阈值的计算

原子核被一个粒子轰击后放出一个或几个粒子而转变成另一个核的过程,称为核反应。设原子核A被粒子P轰击,A核嬗变为B核,、并且放出粒子q,则核反应可用下式表示: A +P → B+q 静质量: M0 M1M3 M2 动能: E0 E1E3E2根据能量守恒定律,反应前后的总能量应该相等即 (M 0c2+F0)+(M1c2+E1)=(M3c2+E3)+(M2c2+E2)在一般情况下,A核(即靶核)是静止的,即E0=0,故 (E3+E2)-E1=(M0+M1)c2-(M3 + M2) c2此式左边表示反应后总动能同反应前总动能之差,我们用Q代表,称为反应能。它表示输出的净能量,且在数据上等于反应前的粒子总静止能减去反应后的…     

碰撞诱导钠分子A1Σ+u→X1Σ+g的荧光光谱

用532.0 nm激光激发Na2分子到B1Πu电子态,记录了Na(3P)原子的跃迁和Na2分子的A1Σ+u-Χ1Σ+g的谱带.由Na与Na2激发态发射的光谱及其强度可以认定在Na-Na2系统中的碰撞过程,Na(3P)原子线是Na2(B1Πu)到Na(3P)的碰撞能量转移产生的,预解离过程也可产生原子线.而A1Σ+u-Χ1Σ+g谱带是由B1Πu到21Σ+g的碰撞转移后再由21Σ+g到A1Σ+u的辐射而引起的.在360℃,根据辐射衰变率和荧光强度,得到Na2(B1Πu)到Na2(21Σ+g)碰撞转移率系数为7.1×10-10 cm3s-1,而B1Πu的预解离率为2.3×106 s-1.     

三硼酸钾的合成、表征及其振动光谱的研究

借助自行设计的沸腾反应器,采用碳酸钾和硼酸通过控制适宜的原料配比、反应温度和脱水温度合成出三硼酸钾。通过化学分析确定合成物分子式为一水三硼酸钾(KB₃O₅·H₂O),通过粉末X射线衍射光谱(XRD)、傅里叶变换红外光谱(FTIR)、拉曼光谱(Raman)和热重分析(TG)等手段对其进行了表征,由粉末X射线衍射光谱分析确定合成物物质形态为无定形态,由傅里叶变换红外光谱和拉曼光谱分析确定合成物分子中存在三配位硼氧键B₍₃₎—O、四配位硼氧键B₍₄₎—O、羟基及三硼酸根离子,由热重分析确定合成物分子中存在能够失去一分子水的基团,并推出合成物三硼酸钾的结构式为K[B₃O₄(OH)₂]。研究了合成物的振动光谱,包括红外光谱和拉曼光谱,考察了其中硼原子的主要存在形式三配位硼氧键B₍₃₎—O和四配位硼氧键B₍₄₎—O以及其他基团的振动情况,对振动频率进行了归属。     

气相中2Ca＋介入N2O与CO, N2O与H2反应的计算研究

本文采用密度泛函理论DFT-UB3LYP方法, 在6-311+G(2d, p)的基组下, 计算研究了气相中Ca+离子介入N2O (1∑+)和CO (1∑+) 与N2O (1∑+) 和 H2 (1∑+g)反应的微观机理. 报道了二重态势能面上各反应物、中间体和过渡态的构型特征及能量, 并用频率分析和内禀反应坐标（IRC）方法对过渡态进行了验证. 计算结果表明,金属离子参与N2O和CO与N2O和H2的反应都分两步进行, 其中Ca+离子对反应N2O (X1∑+) + CO (1∑+)生成N2 (X1∑+g) + CO2 (1∑+g)比较Fe+, Ir+, Pt+等的金属离子有良好的催化作用, 而对反应N2O (X1∑+) + H2 (1∑+g) → N2 (1∑+g) + H2O (1A1) 催化作用不是很好,N2、CaOH+和H是该反应的主要产物,与实验观测结果相符, 并通过对金属离子亲氧性（OA）的计算, 从热力学方面进一步说明主题反应的可行性.     

气相中2Sr+,2Ba+介入N2O与H2反应的理论研究

运用密度泛函理论DFT-UB3LYP方法,对2Sr+、2Ba+采用相对论校正赝势基组SDD,对N、O、H采用6-311+G(2d,p)基组,计算研究了气相中碱土金属离子2Sr+、2Ba+介入N2O(1∑+)和H2(1∑g+)反应的微观机理,优化了二重态势能面上各反应物、中间体和过渡态的构型特征,用频率分析方法和内禀反应坐标方法(IRC)对过渡态进行了验证.运用Kozuch撰写的能量跨度模型(Energetic Span Model,δlE),确定了决定循环反应速率的决速过渡态(TDTS)和决速中间体(TDI),并利用转化频率(Turnover Frequency,TOF)评估了催化性能.结果表明:从热力学性质分析2Sr+、2Ba+离子对N2O(1∑+)和H2(1∑+g)反应很好的催化作用,可得到目标产物N2(1∑g+)和H2O(1 A1),却从动力学性质分析主要反应产物为N2、SrOH+ (BaOH+)和H,最终动力学因素在反应中起决定性作用,以上结论与实验观测结果相符.     

Self-organization of five species in a cyclic competition game

Cyclic competition game models, particularly the “rock–paper–scissors” model, play important roles in exploring the problem of multi-species coexistence in spatially ecological systems. We propose an extended “rock–paper–scissors” game to model cyclic interactions among five species, and find that two of the five can coexistent when biodiversity disappears, which is different from the “rock–paper–scissors” game. As the number of fingers is five, we named the new model the “fingers” game, where the thumb, forefinger, middle finger, ring finger, and little finger cyclically dominate their subsequent species and are dominated by their former species. We investigate the “fingers” model in two ways: direct simulations and nonlinear partial differential equations. An important finding is that the number of species in a cyclic competition game has an influence on the emergence of biodiversity. To be specific, the “rock–paper–scissors” model is in favor of maintaining biodiversity in comparison with the “fingers” model when the variables (population size, reproduction rate, selection rate, and migration rate) are the same. It is also shown that the mobility and reproduction rate can promote or jeopardize biodiversity.     

Contrastive analysis on tone between Putonghua and Taiwan Mandarin

The differences of the pitch and duration of Chinese syllables between Putonghua （PTH） and Taiwan Mandarin （TM） were studied. The speech materials to be used are not only isolated syllables, but also sentences. The results reveal that： For the isolated syllables, T1 and T2 in TM are influenced by Minnan dialect, therefore their pitch are lower than those in PTH. T3 is fall-rise in PTH, while it is fall in TM. Moreover, the syllable duration sequence for different tone is T3〉T2〉T1〉T4 in PTH, while it is T1〉T2〉T3〉T4 in TM. For the syllables in sentences, T2 is mid-rise in PTH, while it is mid-level in TM. And the T3 is longer than T4 but shorter than T1 or T2 in PTH, while it is the shortest in TM. Furthermore the effects of prosodic phrase boundary on duration for different tones are almost the same in PTH, but the lengthening part of T1 or T2 is longer than that of T3 or T4 in TM.     

Experimental study on downstep in Chinese intonation

Downstep in pitch contour of Chinese Putonghua is examined using subtly designed sentences by controlling tone combinations. The results show both automatic and nonautomatic downstep phenomena exist in Chinese. In non-automatic downstep, low tones compress downwards the pitch range of the following syllables. and the main influence of downstep is on topline. Low tone not only lower the topline behind it, but also raise the high tones before it, the effects are compatible with each other. In automatic downstep, the topline of pitch contour in intonational phrase is presented as a linear downtrend, but it differs among speakers due to the effect of personal stress practice. In comparison with downstep phenomenon in other tone or non-tone languages, the downstep ratio in Chinese is not constant, and the domain of downstep is not limited within the adjacent tones.     

Abelian-Higgs phase of SU(2) QCD and glueball energy

It is shown that SU(2) QCD admits an dual Abelian-Higgs phase, with a Higgs vacuum of a type-Ⅱ superconductor. This is done by using a connection decomposition for the gluon field and the random-direction approximation. Using a bag picture with soft wall, we presented a calculational procedure for the glueball energy based on the recent proof for wall-vortices [Nucl. Phys. B 741(2006)1].     

Theoretical analysis and simulation of conjugate heights for dual-conjugate AO system in lidar

A multi-conjugate adaptive optics （MCAO） can offer a possibility of widening field of view （FOV） characterized by the isoplanatic angle, and the choose of conjugate height becomes a basic problem for MCAO, which influences the size of iosplanatic angle. Considering the application of lidar, the isoplanatic angle＇s expressions of two deformable mirrors （DMs） MCAO for uplink and downlink are deduced. The effects of conjugate heights for dual-conjugate AO are thoughtfully discussed, and the isoplanatic angles are further analyzed. The results show that the isopanatic angle varies with the conjugate height and reaches the maximum as the conjugate height is at the optimal altitude. Moreover, the optimal conjugate height changes with the propagation distance.     

Quick single-photon detector with many avalanche photo diodes working on the time division

Due to the limit of response speed of the present single-photon detector, the code rate is still too low to come into practical use for the present quantum key distribution (QKD) system.A new idea is put up to design a quick single-photon detector.This quick single-photon detector is composed of a multi-port optic-fiber splitter and many avalanche photo diodes (APDs).Au of the ports with APDs work on the time division and cooperate with a logic discriminating and deciding unit driven by the clock signal.The operation frequency lies on the number N of ports, and can reach N times of the conventional single-photon detector.The single-photon prompt detection can come true for high repetition-rate pulses.The applying of this detector will largely raise the code rate of the QKD, and boost the commercial use.     

Signal generation in an isotropic medium in scanning electron acoustic microscope

Based on the research in Ref. [5][Materials Science and Engineering, 1989; A122： 57 63], an improved model of heat source is set up, the different modes of Lamb wave in an isotropic sample generated by a chopped electron beam at frequency f are obtained with integral transform and normal function expansion method, and the output signal of PZT coupled at the back surface of the sample is found out. The generation mechanism of SEAM （Scanning Electron Acoustic Microscopy） signal is discussed. It shows that the SEAM is a near field imaging technique with high spatial resolution and its best lateral spatial resolution is about 2√2α （α is the radius of the focused electron beam）. Some of experimental results of SEAM images are presented in the paper and it shows that the spatial resolution of SEAM is better than 0.5 μm and smaller than the thermal diffusion length of the sample. Therefore the character of near field imaging in SEAM is also proved experimentally.     

High efficiency filtering using two-dimensional photonic crystal coupled cavity structures

Transmission spectra of coupled cavity structures (CCSs) in two-dimensional (2D) photonic crystals (PCs) are investigated using a coupled mode theory, and an optical filter based on CCS is proposed. The performance of the filter is investigated using finite-difference time-domain (FDTD) method, and the results show that within a very short coupling distance of about 3λ, where λ is the wavelength of signal in vacuum, the incident signals with different frequencies are separated into different channels with a contrast ratio of 20 dB. The advantages of this kind of filter are small size and easily tunable operation frequencies.