空气/水界面水分子的取向和运动

对四种不同的实验构型下空气／水界面自由O-H键在3700cm~(-1)的和频振动光谱的分析表明,水分子在空气／水界面的取向运动只可能是在平衡位置附近有限角度之内的受限转动。界面水分子的自由O-H键取向距界面法线约33°,而取向分布或运动的宽度不超过15°。这一图像显著地不同于Wei等人(Phys. Rev. Lett.86,4799(2001))只通过单一的SFG实验构型所得出结论,即：空气／水界面的水分子在超快的振动弛豫时间内在很大的角度范围内运动。     

D→Klv～l衰变过程的研究

用光锥QCD求和规则研究D→Klv～_l衰变过程，首先计算D→K跃迁形状因子，通过构造新的关联函数，消除了twist-3波函数的不确定性给计算结果所带来的影响，从而使计算结果更加精确. 计算得到的分支比与最近的实验数据相一致. 关键词： QCD光锥求和规则 D介子半轻衰变 分支比 形状因子     

SiO2-羟基表面上金属原子的第一性原理研究

采用第一性原理方法研究了SiO2-羟基表面上几种金属原子的吸附性质,发现In和Ga在SiO2-羟基表面上的结合很弱,而Fe,Co,Ni在该表面上与Si,O形成强的化学键.等势能面和扩散势垒计算表明In(Ga)的扩散激活能只有0.1-0.3 eV,表明这两种原子容易在表面上扩散.这些结果可以定性地解释纳米合成中的一些实验现象.     

(111)取向(Pb,La)TiO3铁电薄膜中90°纳米带状畴与热释电性能的研究

采用射频磁控溅射技术在Pt/Ti/SiO2/Si(100)衬底上生长了掺镧钛酸铅(PLT)铁电薄膜.用X射线衍射技术(XRD)研究了PLT薄膜结晶性能,结果表明PLT薄膜为(111)择优取向钙钛矿相织构.使用原子力显微镜(AFM)和压电响应力显微镜(PFM)分别观察了PLT薄膜的表面形貌和对应区域的电畴结构.PFM观察显示PLT薄膜中存在90°纳米带状畴,电畴的极化为首尾相接的低能量的排列方式,带状畴的宽度为20-60nm.研究了PLT10铁电薄膜的制备条件与性能之间的关系.发现在优化条件下制备的PLT10铁电薄膜的介电常数εr为365、介电损耗tgδ为0.02,热释电系数γ为2.18×10-8C·(cm2·K)-1,可以满足制备非制冷红外探测器的需要.     

Vacancy defects in delafossite СuАlO<Subscript>2</Subscript>: First-principles calculations

Electronic properties and formation energies of vacancy defects in delafossite CuAlO₂ have been investigated by using the first-principles density functional theory. The band structures and density of states of various vacancy defects have been obtained and analyzed. The results show that the V _Cu systems with different charge states influence the type of conductivity. The introduced vacancy defects enhance the hybridization between O-2p and Cu-3d states, which is good for p-type conductivity. The calculated formation energies indicate that the Cu vacancy is relatively easy to form and it trends to have positive charge.     

Tens of GHz Tantalum pentoxide‐based micro‐ring all‐optical modulator for Si photonics

A tantalum pentoxide‐based (Ta₂O₅‐based) micro‐ring all‐optical modulator was fabricated. The refractive index inside the micro‐ring cavity was modified using the Kerr effect by injecting a pumped pulse. The transmittance of the ring resonator was controlled to achieve all‐optical modulation at the wavelength of the injected probe. When 12 GHz pulses with a peak power of 1.2 W were coupled in the ring cavity, the transmission spectrum of the Ta₂O₅ resonator was red‐shifted by 0.04 nm because of the Kerr effect. The relationship between the modulation depth and gap of the Ta₂O₅ directional coupler is discussed. An optimized gap of 1100 nm was obtained, and a maximum buildup factor of 11.7 with 84% modulation depth was achieved. The nonlinear refractive index of Ta₂O₅ at 1.55 μm was estimated as 3.4 × 10^?14 cm²/W based on the Kerr effect, which is almost an order of magnitude higher than that of Si₃N₄. All results indicate that Ta₂O₅ has potential for use in nonlinear waveguide applications with modulation speeds as high as tens of GHz.

     

辐射成像系统模拟软件NUCRPD的研发与应用

在辐射成像系统的设计研发中,经常需要计算系统的各项物理性能指标。为了提升产品研发的效率,同方威视联合清华大学,基于蒙特卡罗程序包Geant4,研发了国内首套具有自主知识产权的辐射成像系统模拟软件NucRPD(NUCTECH Radiography Performance Design Tools),其能够快速、精确地模拟系统的各项性能指标。该软件对常用的一些辐射成像系统进行了参数化建模,用户通过修改软件界面上的少量参数,就可以快速建立各类辐射成像系统的几何体、源项、物理模型和统计量,然后在服务器上以并行计算方式完成模拟计算,能在较短的时间内模拟出系统的性能指标,并给出直观的图形帮助用户深入理解模拟结果。NucRPD的模拟结果经过了大量的实验验证,其剂量场分布和物理指标等模拟结果和实验结果符合得很好。NucRPD已经应用于同方威视辐射成像系统产品的设计研发,在产品的物理指标优化和辐射防护优化中发挥了重要作用。     

20Mgβ衰变谱学与15O(α,γ)19Ne反应(英文)

15O（α,γ）19Ne（p,γ）20Na反应链是高温CNO循环向快速质子俘获过程突破的一条关键路径,相关的反应率输入量可通过20Mg的β衰变可布居19Ne共振态并测量其衰变性质来获得。通过高效率高精度地测量20Mg β衰变中产生的质子与γ射线得到了20Mg衰变的详细信息,并构建了完整的衰变纲图,还进行了19Ne 4 033 keV共振态衰变性质的探索,获得了该态在20Mg β衰变中被布居的分支比上限。通过比20Mg和20O镜像能级跃迁的结果确认了同位旋非对称性,为检验相关理论模型提供了精确的实验数据。对于突破路径中有重要影响的19Ne 4 033 keV共振态的性质,有待更高统计的实验进一步研究。The breakout from the hot CNO cycle to the rapid proton capture process can occur via the 15O(α,γ)19Ne(p,γ)20Na reaction sequence, and the β decay of 20Mg can be used as an alternative method to characterize some specific resonances, which will provide detailed nuclear structure input for reaction rate calculations. The reliable information on the decay properties and structure of 20Mg was obtained by measuring the emitted particles and γ-rays in the β decay with high efficiency and high resolution. Attempt was also made to search for the decay channels associated with the 4 033 keV resonance in 19Ne. To test fundamental symmetries, the transitions in the mirror decays of 20Mg and 20O were compared. The precise experimental data presented here would be important to constrain the theoretical calculations. It is desirable to clarify the astrophysically relevant problem by further experiments with improved statistics on the basis of the present work.     

Large third-order nonlinear optical properties of C70 fullerene in the infrared regime

The nonlinear third-order optical susceptibility of C₇₀ in a toluene solution is measured for the first time by the method of degenerate four-wave mixing using 10 ns laser pulses at 1.06 m. The third-order susceptibility X _in ⁽³⁾ is 5.6×10^–12 esu for a C₇₀ toluene solution at a concentration of 0.476 g/l. The correspondent magnitude of the hyperpolarizability ₁₁₁₁ of the C₇₀ molecule is 1.2×10^–30 esu which is in a good agreement with the prediction given by the model of a free electron in a spherical box.     

高压下氢化锂晶体中的离子间力与结合能公式的原子分子设计

本文提出一种利用材料Hugoniot数据研究高压下离子晶体中微观离子状态及其离子间排斥作用势的新方法。对氢化锂晶体进行研究时,我们得到Li~+和H~-离子之间排斥作用势函数,结果表明文献〔1〕中提出的离子压缩效应具有客观性。