气相环境下丙氨酸Ca2+配合物的手性转变机理及水分子的催化作用

采用基于密度泛函理论的M06方法,研究了气相环境下2种稳定构型的丙氨酸（Ala）与Ca²⁺配合物的手性转变及水分子的催化。研究发现,Ala_1·Ca²⁺的手性转变有a和b 2个通道,a通道是α-氢只以羰基氧为桥迁移;b通道是α-氢迁移到羰基氧后,氨基上的质子在纸面内侧向α-碳迁移。Ala_2·Ca²⁺的手性转变有a、b、c、d 4个通道,a和b通道分别是羧基内质子迁移后,α-氢只以羰基氧为桥迁移和α-氢迁移到羰基氧接质子从氨基氮向α-碳迁移;c通道是钙与氮的配位键断裂后,α-氢向氨基氮迁移;d通道是钙与氮的配位键断裂后,Ala_2·Ca²⁺向Ala_1·Ca²⁺异构,再接Ala_1·Ca²⁺的手性转变。势能面计算表明,Ala_1·Ca²⁺手性转变的a通道具有优势,总包能垒为134.8 kJ·mol^－1,Ala_2·Ca²⁺手性转变的d通道具有优势,总包能垒为235.3 kJ·mol^－1;水分子的催化使能垒分别降至40.8和141.3 kJ·mol^－1。结果表明,Ca²⁺对Ala的手性转变具有催化作用,水分子对丙氨酸Ca²⁺配合物的手性转变具有极好的催化作用。     

超重核研究实验方法的历史和现状简介

简单介绍了超重核合成的历史,详细讨论了目前超重核合成最成功的技术路线,包括产生方法、分离手段以及探测技术,并就各种技术的优缺点进行了比较.探讨了目前超重核研究所面临的困难以及介绍了国际上几个主要相关实验室的研究动态,并对超重核研究的发展趋势做了简单展望. The history of the synthesis of the transuranium nuclei is briefly introduced. The most successful techniques currently used for synthesizing super heavy nuclei are surveyed and discussed in detail. The drawbacks and the problems for reaching the stability island of super heavy nuclei with the techniques currently used are discussed. The present status and perspectives of the super heavy nuclei research at different laboratories are also introduced. Finally, a brief prospect on the trends...     

线性多烯分子的共振拉曼光谱

线性多烯分子是重要的光电材料,它还具有光采集、 光防护、 防癌、 抗癌功能,也是物理学、 化学理论研究的理想分子。 共振拉曼光谱是研究线性多烯分子最有力的工具。 本文总结了线性多烯分子共振拉曼光谱的特征及其与分子结构的关系,包括：电子光谱(紫外-可见吸收光谱)、 拉曼光谱的性质及与外场的关系;电子能隙对碳碳原子振动的调制作用;给出几个实验结果：温度降低、 溶剂密度增加、 溶液浓度降低等会使线性多烯分子结构有序增加,π电子能隙减小,使紫外-可见吸收光谱红移;π电子离域扩展,有效共轭长度增加,拉曼活性提高,拉曼光谱红移,拉曼截面增加。 振幅模型是研究线性多烯分子较理想的模型。     

Amiet剪切层理论的角度折射验证研究

在开口射流风洞中进行气动噪声的定位测量试验时,射流边界的剪切层会对声传播产生折射影响。在处理过程中需要对传声器测量的信号进行剪切层修正,修正结果将直接影响到波束形成对气动噪声源定位的准确性。本文针对经典的Amiet剪切层修正理论,综合计算气动声学(Computational aeroacoustics,CAA)数值计算与试验测试,对该理论进行了验证,研究表明CAA计算与Amiet理论吻合,Amiet理论能够有效修正剪切层对声波的角度折射影响。     

煅烧温度对Cu/HMOR催化剂结构及其催化二甲醚羰基化反应性能影响

采用离子交换法在不同煅烧温度下制备HMOR负载Cu(Cu/HMOR)催化剂,用于催化二甲醚(DME)羰基化合成乙酸甲酯(MA)反应. 活性测试结果表明430 oC煅烧制得Cu/HMOR具有较好催化活性,在210 oC、1.5 MPa、空速4883 h^-1下DME转化率为97.2%,MA选择性为97.9%. 对催化剂进行X射线衍射、N₂物理吸附、NH₃程序升温脱附、CO程序升温脱附及拉曼方法表征. 催化剂经一定的煅烧温度有利于Cu离子迁移及扩散和硝酸铜完全分解,从而使HMOR载体具有较多的酸性活性位、大比表面、适宜的微孔结构以及更多的CO吸附位.     

纳米晶体铝在单轴拉伸下的位错堆积对微裂纹扩展的影响

摘要：针对纳米晶体材料,研究了单轴拉伸载荷作用下纳米晶体铝中的裂纹与裂纹尖端发射的位错所形成的滑移面之间的相互作用。通过分布位错法,将裂纹和滑移面等效为均匀分布的连续位错,获得了裂纹面上应力场。并引入裂纹尖端的无位错区,研究了裂纹尖端无位错区对微裂纹的萌生和主裂扩展之间的影响。结果表明,不考虑裂纹尖端无位错区时,裂纹长度较短,会先在晶界处形成微裂纹,主裂纹较长时,主裂纹会直接穿晶扩展。滑移面与裂纹尖端夹角较大时,会增加裂纹尖端发射的位错个数,从而抑制主裂纹的扩展。考虑裂纹尖端无位错区时,无位错区先于晶界处出现微裂纹,通过主裂纹与微裂纹之间位错的相互发射,导致裂纹与尖端处微裂纹汇合,有效加速了主裂纹的扩展。     

Comparison of resonant tunneling diodes grown on freestanding GaN substrates and sapphire substrates by plasma-assisted molecular-beam epitaxy

AlN/GaN resonant tunneling diodes (RTDs) were grown separately on freestanding GaN (FS-GaN) substrates and sapphire substrates by plasma-assisted molecular-beam epitaxy (PA-MBE). Room temperature negative differential resistance (NDR) was obtained under forward bias for the RTDs grown on FS-GaN substrates, with the peak current densities (J_p) of 175-700 kA/cm² and peak-to-valley current ratios (PVCRs) of 1.01-1.21. Two resonant peaks were also observed for some RTDs at room temperature. The effects of two types of substrates on epitaxy quality and device performance of GaN-based RTDs were firstly investigated systematically, showing that lower dislocation densities, flatter surface morphology, and steeper heterogeneous interfaces were the key factors to achieving NDR for RTDs.     

Exotic Behaviour of Angular Dispersion of Weakly Bound Nucleus ^17F at Small Angles

The differential cross sections of ^17F and ^17O elastic scattering products on ^208Pb have been measured at the Radioactive Ion Beam Line at Lanzhou （RIBLL）. Two angular dispersion plots of In（ dσ/ dθ ） versus 02 are obtained from the angular distribution of the elastic scattering differential cross sections. The angular dispersion plot exhibits a clear turning point for ^17F in the range of small scattering angles 6°-2° due to its exotic structure, but for ^17O, the turning point is not observed in the same angular range. The experimental results have been compared with previous data of other groups. Systematical analysis on the available data supports the above conclusion that there is an exotic behaviour of the angular dispersion plot of weakly bound nuclei with halo or skin structure as compared with that of the ordinary nuclei near stable line. Therefore the turning point of the angular dispersion plot appears at small angle for weakly bound nuclei with halo or skin structure, and can be used as a new probe to investigate the halo and skin phenomena of weakly bound nuclei.     

超重反冲余核时间探测器性能测试

介绍了一种铝制内椭球面反射镜闪烁薄膜探测器,对其探测效率、光收集效率和时间性能的测试. 结果分析表明采用1 μm厚的BC498闪烁薄膜探测器测量实验中超重反冲余核, 探测效率接近100％, 时间分辨好于200 ps, 其性能满足超重反冲余核时间测量的要求. A thin plastic scintillator film detector with an inner ellipsoidal reflection mirror made of aluminum is introduced. Detection efficiency and light collection efficiency of the detector have been investigated. The time resolution of the detector has been also studied. The testing results show that the detection efficiency of BC498 with the thickness of 1 micron to be used in the coming superheavy synthesis experiments is approximately 100%, and the time resolution is better than 200 ps (σ). The performances of the thin plastic scintillator film detector meet the requirements for the time measurement of the superheavy element synthesis.     

二氧化钛纳米管对环氧树脂膨胀阻燃体系的协效阻燃作用

以双酚A型环氧树脂为基体、甲基纳迪克酸酐为固化剂、聚磷酸铵为膨胀阻燃剂、水热法制备的二氧化钛纳米管(TNTs)为阻燃协效剂,共混后交联固化制得了膨胀阻燃型环氧树脂复合材料。采用极限氧指数测试、垂直燃烧实验、扫描电镜和拉曼光谱分析了添加TNTs对环氧树脂膨胀阻燃材料的阻燃成炭协效作用。结果表明:TNTs的引入提高了环氧树脂膨胀阻燃材料的极限氧指数以及垂直燃烧UL-94测试评级。当TNTs质量分数为2%时,膨胀阻燃体系的极限氧指数达到28.4%,UL-94达到V-1级。同时,TNTs延缓了环氧树脂膨胀阻燃材料在高温下的热降解,提升了体系高温热稳定性和成炭性能。TNTs可以作为成炭的网络骨架,并促进高温下生成更多连续致密的炭层结构,且高温煅烧后残留的炭层具有更低的ID/IG(拉曼光谱在1 360cm-1及1 600cm-1处的吸收峰强度比)值,石墨化程度更高,炭层结构更加致密规整。