含能材料的密度、爆速、爆压和静电感度的理论研究

用密度泛函理论(DFT) B3LYP方法, 在6-31G*基组水平下, 全优化计算了系列硝胺类和硝基芳烃类爆炸物的几何构型, 用Monte-Carlo方法和自编程序, 基于0.001 e•bohr^－3等电子密度面所包围的体积空间求得分子平均摩尔体积(V)和理论密度(ρ). 用Kamlet-Jacobs方程基于理论密度(ρ)和PM3计算生成焓(ΔH_f)估算标题物的爆速(D)和爆压(p), 发现多环硝胺类化合物的爆轰性能优于芳烃硝基类化合物, 故此, 在寻求高能量密度材料(HEDM)时, 我们应特别关注多环硝胺化合物. 与ρ和D文献值比较, 表明本理论计算方法和结果是适用可靠的. 将爆速(D)和爆压(p)计算值与静电感度实验值(E_ES)进行比较和关联, 发现: 若对化合物进行细致分类讨论, 则它们之间存在较好的线性关系. 据此建议, 在含能材料分子设计中, 可通过理论计算爆轰性质(D或p)去预估难以定量求得或尚未合成的含能材料的静电火花感度值(E_ES). 此外, 我们还讨论了取代基对ρ, D和p的影响, 也有助于分子设计.     

三维光子集成芯片的进展与挑战（特邀）

以光子为信息传输媒介的光子集成芯片,具有高带宽、高速率、高灵敏度等优点,在光通信、光互联、光学传感等领域得到了广泛的研究与应用。为了进一步提高光子集成芯片的集成度、扩展光子集成芯片的功能,在原本二维平面的光子集成芯片的基础上,通过晶圆键合、气相沉积、磁控溅射等方法,制备三维集成光子芯片。利用多层堆叠的方式,使光子集成芯片在厚度上进行拓展,在紧凑的尺寸上,实现大规模集成光子芯片的制备。本文介绍了几种三维光子集成芯片的材料平台与制备工艺,包括单晶硅（c-Si）键合、SiN-on-SOI、非晶硅（a-Si）沉积、多晶硅（p-Si）沉积和聚合物三维光子集成芯片制造平台,结合关键器件与在光互连、光通信、激光雷达等领域的应用,介绍了不同工艺平台的发展现状与挑战。     

温和条件下混合碱辅助水热合成硅酸镁纳米管

在混和碱的辅助下, 以普通氢氧化镁和二氧化硅粉末为原料在温和条件下高效合成硅酸镁纳米管。采用XRD, TEM, FTIR, 氮气吸附等多种手段对产物进行了表征, 并对其合成过程进行了研究。结果表明氢氧化钠和氢氧化钾的共融液能提高反应物间的溶解性, 促进反应可以在温和条件下加快进行。250℃下合成硅酸镁纳米管, 传统水热法至少需要7 d, 混合辅助水热合成只需36 h。与传统的水热法相比, 混和碱辅助的水热法是一种温和且高效的过程。     

统筹学在公交线路上的应用一例

<正>统筹学是研究如何在实现整体目标的全过程中施行统筹管理的有关理论、模型、方法和手段.说的通俗一点,就是系统化的用最有效、最简洁、最低成本来实现目标.统筹是人类社会十分宝贵的精神财富,只要是具有鲜明成就感或明确目的的活动想要取得切实合理和有效的好结果,几乎是都离不开统筹的实践.很多人也许对"统筹"这一名词还有些陌生,但对于古代的田忌赛马却耳熟能详,更有出名的电话服务"排队问题"及"开水泡茶问题"等都属于这一领域.     

一道竞赛题的简解

题目（2006年全国初中数学竞赛（浙江赛区）初赛试题第13题）如图,正方形ABCD和正方形CGEF的边长分别是2和3,且点B,C,G在同一直线上,M是线段AE的中点,连结MF,则MF的长为.解析（坐标法）以BG所在直线为x轴,以BA所在直线为y轴,建立直角坐标系.则A（0,2）,F（2,3）,E（5,3）,AE中点M{...     

马钱子碱与牛血清白蛋白相互作用的研究

应用荧光光谱和紫外光谱法研究了马钱子碱与牛血清白蛋白(BSA)的结合反应,求得它们之间的结合常数K_A和结合位点数n分别为K_A=6.3×103,n=0.94(27 ℃);K_A=7.7×103,n=0.97(37 ℃)。根据Frster非辐射能量转移理论求出了马钱子碱与BSA之间的结合距离为3.99 nm(27 ℃)和4.21 nm(37 ℃)。探讨了马钱子碱的荧光猝灭机理,结果表明马钱子碱能够插入BSA内部形成基态复合物导致内源荧光猝灭,猝灭机理主要是静态猝灭和非辐射能量转移。根据热力学参数确定马钱子碱与BSA之间的作用力类型主要为疏水性相互作用。     

Surface relief resonant Brewster filters with multiple channels

In this paper, a new type of resonant Brewster filters （RBF） with surface relief structure for the multiple channels is first presented by using the rigorous coupled-wave analysis and the S-matrix method. By tuning the depth of homogeneous layer which is under the surface relief structure, the multiple channels phenomenon is obtained. Long range, extremely low sidebands and multiple channels are found when the RBF with surface relief structure is illuminated with Transverse Magnetic incident polarization light near the Brewster angle calculated with the effective media theory of sub wavelength grating. Moreover, the wavelengths of RBF with surface relief structure can be easily shifted by changing the depth of homogeneous layer while its optical properties such as low sideband reflection and narrow band are not spoiled when the depth is changed. Furthermore, the variation of the grating thickness does not effectively change the resonant wavelength of RBF, but have a remarkable effect on its line width, which is very useful for designing such filters with different line widths at desired wavelength.     

PLANE ELASTIC PROBLEMS OF DIFFERENT MEDIA WITH CRACKS ON THE INTERFACE

The equllibrium problem for the infinite elastic plane consisting of two different media with many cracks on the interface is discussed.It is transferred to a boundary value problem for analytic functions and then further reduced to a singular integral equation,the unique solvability and an effective method of solution for which are eatablished.A practical example in applications is illustrated,the solution of which is obtained in closed form.     

Influence of coating material on laser damage threshold of TiO_2 films

The optical property,structure,surface properties(roughness and defect density)and laser-induced dam- age threshold(LIDT)of TiO_2 films deposited by electronic beam(EB)evaporation of TiO_2(rutile),TiO_2 (anatase)and TiO_2 Ta_2O_5 composite materials are comparatively studied.All films show the polycrys- talline anatase TiO_2 structure.The loose sintering state and phase transformation during evaporating TiO_2 anatase slice lead to the high surface defect density,roughness and extinction coefficient,and low LIDT of films.The TiO_2 Ta_2O_5 composite films have the lowest extinction coefficient and the highest LIDT among all samples investigated.Guidance of selecting materials for high LIDT laser mirrors is given.