Structural Evolution of Compressing Amorphous Ice

Molecular dynamics simulation is employed to study structural evolution during compressing low density amorphous ice from one atmosphere to 2.5 GPa. The calculated results show that high density amorphous ice is formed under intermediate pressure of about 1.0GPa and O-O-O angle ranges from about 83°to 113° and O-H…O is bent from 112° to 160°The very high density amorphous ice is also formed under the pressure larger than 1.4 GPa and interstitial molecules are found in 0.3-0.4 A just beyond the nearest O-O distance. Low angle O-H… O disappears and it is believed that these hydrogen bonds are broken or re-bonded under high pressures.     

啁啾Moire光栅波分复用/解复用器件的理论分析

根据耦合模理论,用传输矩阵法计算了啁啾Moire光栅的透射谱特性,分析表明其透射谱具有多个通带及好的通道隔离度.通过调整光栅各参量可获得通道间隔满足国际电信联盟标准的啁啾Moire光栅.     

双基阵纯方位目标运动分析研究

研究了双基阵纯方位目标运动分析的基本原理和方法,提出了方位数据关联的迭代算法,进行了仿真实验．仿真结果表明,双基阵纯方位ＴＭＡ及数据关联方法不仅克服了单基阵纯方位ＴＭＡ需要本舰机动的限制,而且提高了参数估计算法的稳定性和精度,具有较好的工程应用前景．     

NEUTRON SCATTERING AND LATTICE DYNAMICAL STUDIES OF THE HIGH-PRESSURE PHASE ICE (II)

Lattice dynamical calculations have been carried out for ice II based on the force field constructed for ice Ih. In order to fully understand ice II inelastic neutron scattering spectra, the decomposed phonon density of states was shown mode by mode. Calculated results have shown that the hydrogen bond force constant between the six-molecule rings is significantly weaker, 75eV/nm², compared with the force constant, 220eV/nm², within the rings. Inelastic neutron scattering spectra of clathrate hydrate H₂O+He are almost the same as ice II. This means that the absorption of He atoms cannot affect the bond strengths of the ice II host lattice. Based on the force field model for ice II, the van der Waals interactions between water molecules and helium atoms are considered. The results obtained are consistent with experimental data. Lattice dynamical calculations have been carried out for ice II using seven rigid pairwise potentials. It was found that MCY makes the stretching and bending interactions in ice II too weak and makes the O-O bond length too long (～5%), thus its lattice densities are obviously lower than other potential lattices or experimental values.     

关于线性子空间的并集的一个注记

设V是一个线性空间,不考虑V上的数量乘法运算和加法运算满足的交换律,则V构成一个群.给出了一个群V可以写成三个真子群的并集的充分必要条件．     

一水甲酸锂晶体生长界面过饱和度的测量

本文采用激光全息相衬干涉显微术研究了有机非线性光学晶体一水甲酸锂晶体的生长,计算了晶体生长的界面过饱和度.我们的研究结果表明,晶体生长的界面过饱和度随体过饱和度的增加而非线性增加;不同晶面的界面过饱和度不同;当体过饱和度增加到一定程度时,不同晶面的界面过饱和度趋于相同.     

Al2O3·nSiO2-mH3PO4磷酸基地质聚合物的制备与结构表征

通过磷酸激发高纯铝硅酸盐前驱体制备化学成分可控的磷酸基地质聚合物(HPG,Al2 O3·nSiO2-mH3 PO4).此方法可以精确地模拟以铝硅酸盐为基础的胶凝材料的化学性质,阐明原料中不同Al/P、Al/Si比对HPG结构的影响.利用FT-IR、XRD、FSEM-EDX等测试对其化学键、物相组成及微观形貌进行分析,探究了HPG的结构变化规律.结果表明:随着n(H3PO4)/n(Al2O3)比例增大,HPG试样抗压强度先增加后降低;n(H3PO4)/n(Al2O3)=1时,试样达到最大抗压强度,试样结构均匀且致密;随着磷酸用量增加,即n(H3PO4)/n(Al2O3)>1,产物由一种均匀凝胶体转变为高硅凝胶和高磷铝凝胶相互填充的多相凝胶体,且两种凝胶相界面之间存在明显间隙;在HPG的溶蚀-聚合反应过程中,粉体中的Al-O是重要的活性基团,Al-O的相对含量的增加有利于提高HPG的抗压强度.     

基于金纳米粒子光学性质的比色传感器及其在食品安全检测中的应用

对金纳米粒子的合成方法的发展及其现状、金纳米粒子的光学性质及其功能化以及基于金纳米粒子光学性质的比色传感器的原理作了简要的回顾后,对其在食品安全检测领域在近十年间的应用概况作了综述,主要涉及重金属离子、DNA、致病菌、农药残留、抗生素等药物残留、有毒有害化学物质、真菌毒素等检测等七个方面,并对此领域的发展前景作了简要展望(引用文献59篇)。     

Experimental measurement of radiation dose in a dedicated breast CT system

Radiation dose is an important performance indicator of a dedicated breast CT (DBCT). In this paper, the method of putting thermoluminescent dosimeters (TLD) into a breast shaped PMMA phantom to study the dose distribution in breasts was improved by using smaller TLDs and a new half-ellipsoid PMMA phantom. Then the weighted CT dose index (CTDI_w) was introduced to average glandular assessment in DBCT for the first time and two measurement modes were proposed for different sizes of breasts. The dose deviations caused by using cylindrical phantoms were simulated using the Monte Carlo method and a set of correction factors were calculated. The results of the confirmatory measurement with a cylindrical phantom (11 cm/8 cm) show that CTDI_w gives a relatively conservative overestimate of the average glandular dose comparing to the results of Monte Carlo simulation and TLDs measurement. But with better practicability and stability, the CTDI_w is suitable for dose evaluations in daily clinical practice. Both of the TLDs and CTDI_w measurements demonstrate that the radiation dose of our DBCT system is lower than conventional two-view mammography.     

用Origin7.5处理霍尔效应测量螺线管轴向磁场的实验数据

通过用Origin7.5处理霍尔效应测量螺线管轴向磁场实验的三方面的数据,体现该软件在处理数据统计和绘图功能上的简便操作性。