H^＋与He原子碰撞中电子俘获截面的BIB方法计算

用考虑边界修正的一级玻恩畸变波方法（ＢＩＢ）计算了质子与Ｈｅ原子碰撞中的电子俘获面。结果表明在所关心的能区（１００ｋｅＶ～２４００ｋｅＶ）与实验结果较好地一致     

The investigation of electrochemical properties and ionic motion of functionalized copolymer electrolytes based on polysiloxane

The effect of EO side chain functionalization on the transport and electrochemical properties of polysiloxane electrolytes has been examined in this report. First, a study of the electrochemical stability of the electrolytes by linear sweep voltammetry shows that the polymer electrolytes have a negligible effect on the electrolyte stability windows. In addition, the parameters of cation mobility in polysiloxane electrolytes, such as ionic transference numbers and diffusion coefficients, were increased by increasing the lengths of the EO side chain. However, cation mobility in polymer structures is quite different compared to liquid-based systems and is probably suppressed, resulting in their polymer structure. Therefore, Positron Annihilation Lifetime Spectroscopy (PALS) was used to study the relationship between orthopositronium (o-Ps) lifetime, free volume radius, free volume of micro voids and EO side chain affection at different temperatures. Finally, a battery application with LiCoO₂ and LiFePO₄/polymer electrolyte/lithium metal electrode was monitored for its potential use in the future.     

Entanglement dynamics in Coriolis coupled rovibrational states of formaldehyde

The entanglement dynamics of two vibrational modes of a polyatomic molecule coupled by Coriolis interaction to overall molecular rotation is studied in terms of two negativities, N(t) and N_s(t), respectively, defined by the minimum of the eigenvalues and by the sum of the negative eigenvalues of the partial transpose of a density matrix. Various initial states are the products of Dicke states and the products of coherent states of vibrations and rotations. Formaldehyde is taken as an example, and the von Neumann entropy s(t) is simulated for the comparison with both negativities. It is shown that negativity N_s(t) is positively correlated with entropy s(t), and the correlated behavior between negativity N(t) and entropy s(t) strongly depends on initial states. However, these three indicators of entanglement display a dominantly positive correlation for the coherent states with small or large parameters. In addition, for the latter state two quantities N(t) and s(t) are nearly unchanged for a long time. This time can be further increased by the increasing of vibrational quantum number so that molecular information processing and quantum computing is allowed. These results are useful in quantum information theory.     

掺Yb钒酸盐晶体激光振荡中的光学双稳态现象研究

研究了三种掺Yb钒酸盐晶体Yb:LuVO4,Yb:YVO4和Yb:GdVO4的激光振荡中所呈现的光学双稳态效应.以晶体所吸收的抽运功率表征的双稳区宽度ΔPabs可超过1W,在双稳区高功率一侧的边界,即激光振荡的上阈值点,出现激光输出功率的不连续变化或跃变,同时发生亚毫秒时间尺度上的大幅度强度涨落.谐振腔的输出耦合透过率、晶体长度、晶体中的热效应等对双稳态效应均具有重要影响.     

一种基于多目标约束的互连线宽和线间距优化模型

优化线宽和线间距已经成为改善系统芯片性能的关键技术.本文基于互连线线宽和线间距对互连延时、功耗、面积和带宽的影响,提出了基于多目标优化方法实现优化线宽和线间距的思路,并利用曲线拟合方法得到了多目标约束的解析模型.Hspice验证结果显示,该解析模型精度较高,平均误差不超过5%,算法简单,能有效弥补应用品质因数方法的缺陷,可以应用于纳米级互补金属氧化物半导体系统芯片的计算机辅助设计.     

二氧化硅分子配分函数的研究

在低温20K到高温6000K温度范围内,计算了¹⁶O²⁸Si¹⁶O分子稳定结构的的总配分函数.其中,转动配分函数考虑了离心扭曲修正,振动配分函数采用谐振子近似.把20—6000K的温度范围划分为五区间段,计算的总配分函数在这五个温度区间分别被拟合到一个温度T的四阶多项式,从而在每个区间均得到五个拟合系数.由这些拟合系数就可以快速、准确地获得分子在所研究温度范围内任意温度的总的配分函数. 关键词： 总配分函数 二氧化硅分子 转动配分函数 振动配分函数     

Acoustic phonons transport in a quantum waveguide embedded double defects

By using scattering matrix method, we investigate the acoustic phonons transport in a quantum waveguide embedded double defects at low temperatures. When acoustic phonons propagate through the waveguide, the total transmission coefficient versus the reduced phonon frequency exhibits a series of resonant peaks and dips, and acoustic waves interfere with each other in the waveguide to form standing wave with particular wavelengths. In the waveguide with void defects, acoustic phonons whose frequencies approach zero can transport without scattering. The acoustic phonons propagating in the waveguide with clamped material defects, the phonons frequencies must be larger than a threshold frequency. It is also found that the thermal conductance versus temperature is qualitatively different for different types of defects. At low temperatures, when the double defects are void, the universal quantum thermal conductance and a thermal conductance plateau can be clearly observed. However, when the double defects consist of clamped material, the quantized thermal conductance disappears but a threshold temperature where mode 0 can be excited emerges. The results can provide some references in controlling thermal conductance artificially and the design of phonon devices.     

一种新化合物K2Ti8O15纳米线

钛酸钾晶须通常是直径和长度在微米量级的无机晶须 ,可用Ｋ2 Ｏ·ｎＴｉＯ2 表示其组成 ,ｎ =1,2 ,4 ,6 ,8,[1] .六钛酸钾晶须具有耐高温、耐腐蚀、纤维拉伸强度高、导热系数小、红外反射率高 ,硬度低的特点 .在民用及工业方面有很多应用 .如催化剂载体、离子吸附交换材料、高温过滤器、绝热材料、耐摩擦材料等[2～ 5] .钛酸钾纳米线的合成尚未见报道 .我们在用电弧产生的Ｎ2 等离子体热解焦油时 ,生成了一种直径 9～ 2 0ｎｍ长约几百纳米线 .Ｘ射线能谱定量分析表明这种纳米线化学组成为Ｋ2 Ｔｉ8Ｏ15,是一种新的非化学计量化合物 .试验装…     

陈化温度和Fe/Zr配比对SO42-/Fe2O3-ZrO2固体超强酸结构与性能的影响

用低温陈化法制备了SO42 -/Fe2 O3 ZrO2 (简称SFZ)固体超强酸催化剂 ,用红外光谱 (IR)和X光衍射(XRD)对其结构进行了表征 ,并考察了它对合成癸二酸二正丁酯的催化性能 .IR谱显示 ,低温陈化的SFZ样品在10 70cm-1处吸收峰远强于常温陈化样品 .XRD分析则显示 ,在焙烧温度为 6 5 0℃、Fe/Zr为 2∶1时 ,低温陈化的样品出现了亚稳态的ZrO2 四方晶相 .该样品在催化酯化反应中使产率达 90 %以上 ,高于常温陈化样品的 30 % .研究结果表明 :在其他条件不变时 ,低温陈化所出现的亚稳态的ZrO2 四方晶相是表面酸性和催化活性增加的微观原因     

Composites of nanotubular polyaniline containing Fe3O4 nanoparticles

Results of charge-transport and magnetic measurements of nanotubular polyaniline (PANI) composites containing Fe_3O_4 nanoparticles (～10nm) synthesized by a "template-free" method are reported. The T^{-1/2} resistivity has been observed, and dc magnetic susceptibility data are fitted to an equation χ=χ^*_P+C/T. With increasing weight ratio of Fe_3O_4, the electrical conductivity and temperature- independent susceptibility χ^*_P increase, and the Curie-type susceptibility is suppressed at low temperatures. Further discussions have been given. The PANI-H_3PO_4/Fe_3O_4 composite containing 27wt% of Fe_3O_4 nanoparticles is superparamagnetic, exhibiting very little hysteresis even at 5K.