General Formulations of Finite-field Method Classified by Symmetry for Molecular Linear and Nonlinear Polarizabilities

1 INTRODUCTIONWith the invention of lasers[1] and the observation of second-harmonic generation in quartz[2], nonlinear optics(NLO), as a cornerstone of photonics, has been booming since 1960's. And intense interest has been aroused to search materials exhibiting appropriate nonlinear optical properties suitable for the construction of practical optical devices for the important techniques such as frequency converting, signal processing and optical computing[3～6]. In order to determine …     

一个1.2伏CMOS0.13微米工艺19.2毫瓦10位30兆采样率流水线模数转换器

A 10-bit 30-MS/s pipelined analog-to-digital converter (ADC) is presented. For the sake of lower power and area, the pipelined stages are scaled in current and area, and op amps are shared between the successive stages. The ADC is realized in the 0.13-μ m 1-poly 8-copper mixed signal CMOS process operating at 1.2-V supply voltage. Design approaches are discussed to overcome the challenges associated with this choice of process and supply voltage, such as limited dynamic range, poor analog characteristic devices, the limited linearity of analog switches and the embedded sub-1-V bandgap voltage reference. Measured results show that the ADC achieves 55.1-dB signal-to-noise and distortion ratio, 67.5-dB spurious free dynamic range and 19.2-mW power under conditions of 30 MSPS and 10.7-MHz input signal. The FoM is 0.33 pJ/step. The peak integral and differential nonlinearities are 1.13 LSB and 0.77 LSB, respectively. The ADC core area is 0.94 mm².     

理想吸附混合物在二位不均匀模型表面上的活度系数

对理想吸附混合物在二位不均匀模型表面上的表面活度系数进行了系统的计算.结果表明,表面不均匀性将导致理想吸附混合物表观地呈现与Raoult定律的负偏差(表面活度系数小于1).但在与固-液界面相似的情况,即总覆盖度接近于1的条件下,算得的表面活度系数-吸附相成分关系皆呈现几乎完全对称的形状.因此实验测得的表面活度系数-吸附相成分关系所呈现的不对称性,可能是不同分子之间非理想的相互作用所引起,而不是表面不均匀所造成的.     

油莱中叶绿素的提取及稳定性

研究了浸提法提取油菜叶绿素的最佳工艺条件及稳定性。结果表明,浸提法的最佳提取工艺条件为：以无水乙醇为提取剂,料液比为1：10（g／mL）,在70℃下提取4h。叶绿素在近中性或偏碱性介质环境中性质基本稳定,随着氧化剂浓度的增加其分解程度不断加大,且其光稳定性降低。     

基于P2P网络的局域网监控审计模型

为了解决对等网络(Peer-To-Peer,P2P)在安全性方面存在的隐患,在简单介绍P2P网络的基础上,提出了一种基于集中目录式P2P网络的局域网监控审计模型。通过数据库复制、关键字模糊匹配和集群控制等技术,实现了局域网内P2P流量的监控与阻断,防止有害文件的传播。     

复合酶耦合酶解酸处理后玉米秸秆的研究

以玉米秸秆为研究对象,经过2%硫酸预处理后,利用果胶酶、β-葡萄糖苷酶、纤维素酶三种酶协同酶解,以提高玉米秸秆的酶解产糖量。结果表明:当酶解时间为48h,果胶酶、β-葡萄糖苷酶、纤维素酶分别为45U/mL、30U/mL、60U/mL时,葡萄糖、木糖和酶水解得率分别为67.83%、3.25%、73.65%,相比纤维素酶单一酶解的葡萄糖、木糖和酶水解得率分别提高了65.04%、20.82%、65.06%。分步糖化发酵5天后,相比单一酶解发酵乙醇含量提高了72.5%。说明利用三种酶复合处理,能明显提高酶解产糖量。研究结果为玉米秸秆转化为可发酵糖技术的研究提供重要参考。     

基于聚丙交酯的光固化型可生物降解聚氨酯丙烯酸酯的合成和表征

基于聚醚酯的聚氨酯丙烯酸酯具有应用于组织工程支架材料及相关生物医用材料的潜力,研究其可生物降解性及影响因素非常重要.聚醚酯是由PEG(Mw=400)引发L-丙交酯开环聚合而得到的PLLA-PEGPLLA(PLEL)嵌段共聚物.它与二异氰酸酯(异佛尔酮二异氰酸酯和六亚甲基二异氰酸酯)反应,并用甲基丙烯酸羟乙酯封端,得到聚氨酯丙烯酸酯低聚物,然后通过紫外固化得到聚氨酯丙烯酸酯材料(PUA).用NMR和GPC对PLEL二醇和预聚物进行了组成和分子量表征,用DSC和DMA对PUA进行了结构和物理性能表征以及用接触角、吸水率和质量分析方法对材料的亲水性和降解性能进行了表征.结果发现,随着PLLA疏水链段变长,PLEL软段分子量增大,材料的亲水性降低,交联度和降解速率变小.相同的软段,基于硬段HDIHEMA的PUA材料比IPDI-HEMA的PUA有较低的T_g,较高的亲水性和降解速率.因为IPDI有环状结构,降低了PUA与水的相互作用.在3种不同降解条件下,氧化降解速率最高,酶解的速率高于水解.PUA材料的氧化降解速率取决于软段中PEG的含量,PLEL1000-HDI中PEG含量最高,其氧化降解最快,13周内失重率达到82.6%.     

甲基苯丙胺标准物质的定值与不确定度分析

为了建立法庭科学毒品检测量值溯源体系,研制了甲基苯丙胺纯度标准物质。通过红外光谱、质谱法对甲基苯丙胺样品进行定性分析,优化并建立了高效液相色谱(HPLC)、差示扫描量热法(DSC)两种定值分析方法。采用热重分析法和电感耦合等离子体质谱法测定水分和无机离子的含量。通过均匀性与稳定性检验结果表明,甲基苯丙胺标准物质的均匀性良好,稳定性至少1年,同时对其进行了不确定度评定。研制的甲基苯丙胺标准物质的纯度为99.8%,扩展不确定度为0.2%(k=2)。     

驻波法测杨氏模量及误差分析

驻波法运用驻波原理,采用人为控制金属丝形变,测出金属丝驻波基频,得出其张力,从而求出金属丝杨氏模量.相对传统方法,驻波法避免了金属丝直径和形变的测量,其不确定度基本上仅由千分尺精度决定,故而具有操作简单,测量准确度高的特点.     

A COMPACT UPWIND SECOND ORDER SCHEME FOR THE EIKONAL EQUATION

We present a compact upwind second order scheme for computing the viscosity solution of the Eikonal equation. This new scheme is based on： 1. the numerical observation that classical first order monotone upwind schemes for the Eikonal equation yield numerical upwind gradient which is also first order accurate up to singularities; 2. a remark that partial information on the second derivatives of the solution is known and given in the structure of the Eikonal equation and can be used to reduce the size of the stencil. We implement the second order scheme as a correction to the well known sweeping method but it should be applicable to any first order monotone upwind scheme. Care is needed to choose the appropriate stencils to avoid instabilities.