丝氨酸异构体的电子-分子形状共振态及其解离动力学理论研究

Shape resonances of electron-molecule system formed in the low-energy electron attachment to four low-lying conformers of serine (serine 1, serine 2, serine 3, and serine 4) in gas phase are investigated using the quantum scattering method with the non-empirical model potentials in single-center expansion. In the attachment energy range of 0-10 eV, three shape resonances for serine 1, serine 2, and serine 4 and four shape resonances for serine 3 are predicted. The one-dimensional potential energy curves of the temporary negative ions of electron-serine are calculated to explore the correlations between the shape resonance and the bond cleavage. The bond-cleavage selectivity of the different resonant states for a certain conformer is demonstrated, and the recent experimental results about the dissociative electron attachment to serine are interpreted on the basis of present calculations.     

3种黄酮醇类化合物核磁共振碳谱的理论研究

在B3LYP/6-31G水平下优化了3种黄酮醇类（山奈酚,槲皮素,杨梅素）化合物的几何构型. 在振动分析中,均未出现虚频率. 在B3LYP/6-31G的水平下计算了该类化合物的核磁共振碳谱. 研究结果表明：3种分子均有分子内氢键形成,且分子内氢键的键长为0.17~0.18 nm左右 . 本文讨论了羟基引入之后对邻近C的化学位移的影响. 从取代基对NMR的影响来看,随着取代基对苯环的供电子能力的加强,取代基邻近的一些C的化学位移有所改变.      

Electrospinning of Biomaterials for Vascular Regeneration

Cardiovascular diseases have been the leading cause of morbidity and mortality in the world recently. With the growing aging population accompanied by chronic diseases, such as uremia and diabetes, there is an increasing clinical demand for vascular grafts with proper performance. Although some achievements have been made in the development of tissue-engineered vascular grafts composed of natural and synthetic polymeric materials or decellularized vessels, clinical applications with a diameter of less than 6 mm are still principally derived from autografts, such as autologous saphenous veins. Many challenges remain in anti-thrombosis, rapid endothelialization, modulating the inflammatory response and inhibition of intimal hyperplasia and calcification. In the review, recent progress in the electrospinning of biodegradable polymers for vascular regeneration are summarized, especially from the view of biomechanical factors. Hybrid vascular grafts consisting of natural and synthetic polymers with multicomponent, di-or tri-layers are focused in order to provide novel experiences in biomaterials for applications in this field.     

2-甲基-2-丙烯-1-醇的光电离解离研究

利用可调谐真空紫外同步辐射和分子束实验装置在8.0～15.5 eV的光子能量范围内,研究2-甲基-2-内烯-1-醇的光电离解离.测出母体离子和碎片离子:C_4H_8O~+、C_4H_7O~+、C_3H_5O~+、C_4H_7~+、C_4H_6~+、C_4H_5~+、C_2H_4O~+、C_2H_3O~+、C_3H_6~+、C_3H_5~+、C_3H_3~+、CH_3O~+和CHO~+的光电离效率曲线,并获得母体分子的电离能和碎片离子的实验出现势.在B3LYP/6-31+G(d,p)理论水平上,计算光电离过程中母体分子、过渡态和中间体的稳定结构.采用CCSD(T)/cc-pVTZ耦合簇方法计算零点能,得到母体电离能和碎片离子的出现势.通过实验和理论研究,提出2-甲基-2-丙烯-1-醇的光解离路径,分子内氢转移是其中大部分解离途径中的主要过程.     

A broadband self-powered UV photodetector of aβ-Ga2O3/γ-CuI p–n junction

The symmetric Ti/Au bi-layer point electrodes have been successfully patterned on theβ-Ga;O;films which are prepared by metal–organic chemical vapor deposition(MOCVD)and theγ-Cu I films which are prepared by spin-coating.The fabricated heterojunction has a large open circuit voltage(Voc)of 0.69 V,desired for achieving self-powered operation of a photodetector.Irradiated by 254-nm ultraviolet(UV)light,when the bias voltage is-5 V,the dark current(Idark)of the device is 0.47 p A,the photocurrent(Iphoto)is-50.93 n A,and the photo-to-dark current ratio(Iphoto/Idark)reaches about 1.08×10;.The device has a stable and fast response speed in different wavelengths,the rise time(τr)and decay time(τd)are 0.762 s and 1.741 s under 254-nm UV light illumination,respectively.While theτr andτd are 10.709 s and7.241 s under 365-nm UV light illumination,respectively.The time-dependent(I–t)response(photocurrent in the order of10-10 A)can be clearly distinguished at a small light intensity of 1μW·cm;.The internal physical mechanism affecting the device performances is discussed by the band diagram and charge carrier transfer theory.     

基于组态软件和多串口通讯的真空检漏监测系统设计与开发

许 婕,蔡立君,卢 勇,罗 山,张 龙,田培红     

矩形均匀电子束在激光介质中的能量沉积的模拟计算

本文主要论述了0.5MeV,单能垂直入射的电子束在三种不同密度的氟化氪准分子激光介质中的能量沉积。计算是采用Monte Carlo方法的MCSED程序,光轴方向采用周期性边界条件,因此能够给出平行于和垂直于电子束入射方向的沉积能量的空间分布。本文给出了在三种不同密度下的出射电子的角分布。用该程序对垂直入射的,初始能量为1MeV的电子在半无限大Al靶中的沉积能量的计算结果与ONETRAN程序的结果及实验结果的比较表明MCSED程序的计算结果是可靠的。     

1064 nm激光对中性密度滤光片的损伤机理研究

中性密度滤光片的典型结构是在K9玻璃上镀金属膜,来实现对激光的有效吸收.由于损伤阈值较低,严重限制了其在高能激光系统中的应用.实验研究了较高激光能量密度下滤光片的损伤形貌和损伤机理.损伤形貌的变化特征是:随着激光能量密度的增加,滤光片先出现损伤点,后以损伤点为中心产生裂纹,且裂纹长度逐渐变长,最终连接成线状和块状,导致大面积的薄膜脱落.建立了缺陷吸收激光能量升温致中性密度滤光片表面薄膜损伤的模型,计算了薄膜表面的温度和应力分布,讨论了薄膜表面不均匀温升造成的径向、环向和轴向热应力分布.理论分析显示:环向应力是造成薄膜沿径向产生裂纹的主要原因.当激光能量密度大于约2.2 J/cm²,杂质粒子半径大于140 nm且相邻杂质粒子之间的距离小于10 μ m时,裂纹才能大量连接起来引起薄膜的大面积脱落.     

对等网络应用中的网络统计特征分析

本文基于实测数据抽象出用户网络与资源网络,探讨了对等网络中用户、资源及其内部的相互作用关系,发掘并分析了其内在的网络统计特征. 分析结果表明,用户节点度值及权值呈分段分布,体现了其各异的活跃性;网络资源的流行度差异明显,度值和权值近似呈幂律分布. 用户网络与资源网络存在分簇结构,少数簇中含大量节点,多数簇所含节点数量较少. 用户网络中,同簇内的用户有着相似的兴趣趋向,不同簇用户间兴趣趋向存在着差异,资源网络各簇中不同类别的资源间呈现出明显的关联性.     

“天光”一号MOPA系统光学元件加工与镀膜的进展

本文阐述了在中国原子能科学研究院“天光一号”ＫｒＦ激光核聚变实验装置上，ＭＯＰＡ系统光学元件加工与镀膜研究工作的进展。实验测量结果表明，加工后的基片表面均方根粗糙度对于Ｋ９光学玻璃与熔融石英玻璃来说分别为σｒｍｓ＝１．８±０．５ｎｍ，σｒｍｓ＝２．０±０．４ｎｍ。镀ＨｆＯ２／ＳｉＯ２高反射膜的光学元件的反射率与破坏阈值分别为Ｒ＞９９．５％，Ｅｔｈ＝１．３０～１．３３Ｊ／ｃｍ２。镀Ａｌ２Ｏ３／ＭｇＦ２增透膜的光学元件的透射率与破坏阈值分别为Ｔ＞９９．５％，Ｅｔｈ＝１．３～１．９７Ｊ／ｃｍ２。