SiH3+O(3P)反应机理的理论研究

利用abinitio方法对SiH3+O(3P)反应进行了理论研究,在MP2/6-311+G(d,p)水平上优化得到了反应途径上的反应物、中间体、过渡态和产物的几何构型,并在QCISD(T)/6-311+G(d,p)水平上进行单点能计算.计算结果表明,SiH3+O(3P)→IM1→TS3→IM2→TS8→HOSi+H2为主反应通道,其他可能存在的次要产物有HSiOH+H、H2SiO+H和HSiO+H2.HOSi、HSiO和HSiOH(cis)还可能进一步解离生成SiO.另外,计算结果对SiH4+O(3P)反应机理中存在的争议给出了可能的解释,认为Withnall等人在实验中观察到的产物HSiOH、H2SiO和SiO并不是SiH4+O(3P)反应的直接产物,而是来自副反应SiH3+O(3P).     

Determination of the cluster spectroscopic factor of the 10.3 MeV state in 12Be

From an inelastic excitation and breakup experiment with a ¹²Be beam at 29 MeV/u, a large ⁴He+⁸He cluster decay width of 1.1(2) MeV is determined for a state at an excitation energy of 10.3 MeV and with a spin parity of 0+. By using the R-matrix analysis, a cluster spectroscopic factor of 0.53(10) is extracted from the cluster partial width, providing a strong support for the clustering structure in ¹²Be. A specially designed zero-degree telescope played an essential role in the present experiment and has been demonstrated to be a promising tool in future studies of the molecular-like resonances near the cluster separation threshold.     

基于拓扑结构的碱金属化合物摩尔磁化率的支持向量回归研究

基于经典电动力学导出的表征简单离子磁化率的磁性点价g_i所构建的分子磁性连接性指数?^mF及45种碱金属化合物的摩尔磁化率χ_m的实测数据集,利用粒子群寻优的支持向量回归（SVR）方法,建立了基于⁰F和¹F的碱金属化合物χ_m的预测模型,并与基于多元线性回归（MLR）模型的计算结果进行了比较.结果显示,基于9次交叉验证的SVR模型预测的平均绝对误差、平均相对误差绝对值以及均方根误差均比MLR模型小,表明SVR模型的回归预测能力优于MLR.研究表明,磁性连接性指数^mF是一种合适的分子描述符,SVR是一种预测碱金属化合物χ_m的有效方法. 关键词： 碱金属化合物 摩尔磁化率 支持向量回归 预测     

基于红外光谱研究沥青燃烧机理和有害气体成分分析

利用Rosemount气体分析仪和定碳炉搭建起固定床燃烧反应试验平台,通过红外光谱分析技术定量分析沥青及其胶浆在高升温速率条件下燃烧反应的有毒气态产物成分、及其释放规律。研究表明,在高升温速率、近等温条件下,沥青及胶浆的燃烧过程可近似分为活泼挥发组分析出燃烧、二次挥发析出结合残炭燃烧两个阶段,其主要气态产物为CO₂,CO,NO,NO₂及SO₂。沥青材料中活泼挥发组分含量是影响燃烧气态产物释放规律的关键因素之一,减少沥青材料中活泼挥发组分的含量可有效降低燃烧气态产物的生成、尤其是CO的产生。     

Elastic connection disk subjected to periodically fluctuating transmitted torque and rotational speed

Involving the intrinsic power transmission torque/speed coupling characteristics of prime-movers, a rotating elastic connection disk subjected to periodically fluctuating transmitted torque and rotational speed generated by the fluctuation of external loads is investigated. Using Galerkin's method, the rotating elastic connection disk is modeled as a parametrically excited gyroscopic system. The effects of the torque/speed coupling, transmitted torque fluctuation amplitude and frequency, and constant parts of the transmitted torque and the rotational speed on the system dynamic stability are explored for the disk modes possessing different nodal diameters. The rotational speed, transmitted torque and their fluctuations can all result in system instability of the elastic connection disk. The instability can be suppressed or avoided by operating at small amplitude and low frequency of the transmitted torque fluctuation, and by operating in the weakly coupled torque/speed regime of the prime-movers. Low rotational speed avoids the instability in the case of a small transmitted torque, but medium rotational speed operation is valuable to suppress the instability induced by a large transmitted torque and its fluctuation. Instability parameter regions for the positive and negative torque/speed coupling coefficient are roughly similar in shape, but there are some differences in the value of the instability coefficient.     

便携式表面等离子体共振传感器温度特性

采用美国德州仪器公司开发的Spreeta系列小型化SPR传感模块,实验研究了环境温度变化对便携式表面等离子体共振传感器工作特性的影响.发现随着温度的升高,共振角度向小角度方向移动,并提出了完整的理论分析模型.该模型讨论了环境温度变化对金属薄膜、棱镜、待测物的物理性质的影响,模拟结果与实验测量结果吻合得很好.     

啁啾相移光纤光栅分布式应变与应变点精确定位传感研究

利用啁啾相移光纤光栅狭缝的中心波长对应变点和应变量的波长敏感性,实现应变与应变点精确定位的传感.当啁啾光纤光栅上的某一位置产生微应变时,该应变点会产生相移,其频谱则会出现一个与之对应的狭缝,且狭缝的深度和中心波长与应变的大小和位置相关.当串接不同中心波长的啁啾光纤光栅后,即可实现一定范围内的分布式应变与应变点精确定位检测.本文通过V-I传输矩阵法建立了狭缝深度和中心波长关于应变量和应变位置的理论模型,分析结果表明理论上可以实现微米量级的精确定位.搭建了级联啁啾相移光纤光栅的分布式应变传感装置,实验获得的最大应变灵敏度为0.19 pm/με.该精确定位传感装置在先进制造、精密加工、航空航天、铁路系统等高新技术领域具有重要的应用前景.     

渔网电磁超介质左手通带的超常透射及其电场增强效应的数值研究

本文利用电磁场数值模拟方法研究了分布矩形孔阵列的"金属-电介质-金属"三明治渔网电磁超介质在其左手通带发生的超常透射现象和不同模式激发下的电场增强效应。结果证实左手通带紧邻的超常光学传输峰源于波导共振模式,利用超常传输效应可以有效降低电磁超介质的损耗,提高左手性能;波导共振模和左手通带对应的反对称磁模能够分别在孔洞和金属夹层区域激发超过11倍的增强电场,因此渔网电磁超介质结构在表面增强光谱和传感等方面也具有潜在应用价值。     

High pressure infiltration sintering behavior of WC-Co alloys

In this paper, two average tungsten carbide particle sizes of 2, 0.5?μm are placed respectively, in contact with a WC-16Co substrate, pressed at the pressure of 4.5–5.5?GPa, and heated to temperatures ranging from 1350°C to 1500°C in a large-volume cubic press. During the process Co was forced out of the WC-16Co substrate into the compressed powder. The resulting infiltrated samples were characterized using X-ray diffraction (XRD), scanning electron microscope (SEM), Vickers hardness and cutting performance tests. The results of XRD confirmed that the sintered bulks have WC and Co phases. The scanning electron microscopy (SEM) analysis reveals that the WC grains in well-sintered alloys are round in shape and cobalt with lower content is uniformly dispersed in the WC grain boundaries. The sintered sub-micron WC-Co alloy with a cobalt content of 3.8?wt% exhibits a prominent combination of high hardness value of 23.1?GPa and a large fracture toughness value of 8.6?MPa?m^½. The high-speed cutting tests indicating its cutting performance is significantly superior to the commercial YG6X (WC-6?wt%Co with WC grain size of 0.5?μm).