COSMIC(90): An improved molecular mechanics treatment of hydrocarbons and conjugated systems

Summary Four modifications to the COSMIC molecular mechanics force field are described, which greatly increase both its versatility and the accuracy of calculated conformational energies. The Hill non-bonded van der Waals potential function has been replaced by a two-parameter Morse curve and a new H-H potential, similar to that in MM3, incorporated. Hydrocarbon energies in particular are much improved.A simple iterative Hückel pi-electron molecular orbital calculation allows modelling of conjugated systems. Calculated bond lengths and rotational barriers for a series of conjugated hydrocarbons and nitrogen heterocycles are shown to be as accurate as those determined by the MM2 SCF method.Explicit hydrogen-bonding potentials for H-bond acceptor-donor atom pairs have been included to give better hydrogen bond energies and lengths. The van der Waals radii of protonic hydrogens are reduced to 0.5 Å and the energy well depth is increased to 1.0 kcal mol^-1.Two new general atom types, N⁺ _sp ² and O^- _sp ³ , have been introduced which allow a wide variety of charged conjugated systems to be studied. A minimum of parameterisation is required, as the new types are easily included in the Hückel scheme which automatically adjusts bond and torsional parameters according to the defined bond-order relationships.     

On the Dynamics of Two Oscillating Cosmic Strings

We present the spacetime interval of thenonradiated cosmic string oscillating as standing waves.The influence of string oscillations on the dynamics ofa probe cosmic thread that performs free oscillations and moves in its vicinity, isdiscussed.     

Spectroscopic requirements for ACCURATE, a microwave and infrared-laser occultation satellite mission

The proposed satellite mission ACCURATE consists of a small constellation of satellites in low Earth orbit, combining microwave occultation for thermodynamic state profiling with infrared-laser occultation for greenhouse gas and line-of-sight wind profiling. The mission aims to detect six greenhouse gas molecules with four additional isotopologues (H₂O, CO₂, CH₄, N₂O, O₃, CO, ¹³CO₂, OC¹⁸O, HDO, and H₂¹⁸O) in the upper troposphere and lower stratosphere in the 4000-5000 cm⁻¹ spectral region. Greenhouse gas profiles will be retrieved to within 1-2% accuracy using a ‘differential’ method, requiring two spectral points for each species - one to sample the spectral line and the other nearby to sample the baseline.An estimation of retrieval errors for the ACCURATE mission reveals that errors in spectroscopic line parameters dominate all other error sources. Poor knowledge of the spectroscopy introduces systematic errors into the retrieved greenhouse gas profiles. Using a simple approach, it was shown that the best line parameters currently available are too large to allow retrievals of greenhouse gases to within the stated ACCURATE mission goals of 1% accuracy for CO₂ and 2% for all other species. Therefore, spectroscopic line parameters for targeted lines need to be improved before the ACCURATE mission can be launched. Requirements have been formulated in this direction, and laboratory experiments outlined that could meet these requirements.     

风云三号C星全球导航卫星掩星探测仪首次实现北斗掩星探测

全球导航卫星掩星探测仪(GNOS)是国际首台北斗系统(BDS)和全球定位系统(GPS)双系统兼容掩星探测仪, 2013年9月23日随风云三号卫星C星(FY3 C)发射入轨, 目前已测得大量掩星数据. 介绍了FY3 C-GNOS的组成; 统计了2013年10月12日全天的FY3 C-GNOS掩星事件及其全球分布情况; 通过与GPS精密定轨结果进行对比分析, 测试了BDS在轨实时定位精度, 检验了BDS掩星产品的可靠性和一致性. 初步分析结果表明: 14颗BDS卫星在轨运营的条件下, BDS和GPS兼容掩星探测仪可将掩星事件数提高约33.3%; BDS实时定位平均偏差优于6 m, 标准偏差优于7 m; 5-25 km高度范围内, BDS与GPS内符合精度大气折射率优于2%, 温度优于2 K, 湿度优于1.5 g/kg, 压强优于2%, 电离层峰值密度优于15.6%. GNOS的在轨正常运行及BDS与GPS掩星定位精度及反演产品的一致性为北斗掩星探测的业务化运行奠定了基础.     

天地基综合观测的东日本大地震电离层异常分析

介绍了地震电离层前兆的主要特性,并给出了掩星电离层电子密度峰值位置的标高估计技术。利用天地基电离层观测数据,综合分析了2011年3月11日日本9.0级大地震发生前的电离层异常变化,发现地震前3天内电离层f0F2异常扰动、相对垂直总电子含量(VTEC)扰动以及电子密度峰值处标高(Hs)增加等多种异常现象。分析了地磁活动和太阳活动等因素后,认为其可能与地震有一定关联,表明电离层异常变化对于地震短期预报具有重要参考意义。     

GPS/LEO掩星正则变换反演方法

利用无线电全息方法, 如正则变换方法或全谱反演方法, 可以有效地解决大气多路径条件下GPS掩星信号的反演问题. 本文采用正则变换方法反演掩星资料, 模拟仿真反演结果显示正则变换方法可以准确地反演包含大气多路径效应的信号. 在模拟信号的相位中加入不同程度的高斯相位噪声后, 正则变换方法的反演结果会受到不同程度的影响. 用正则变换方法对2007年第71天至73天共约4500个COSMIC数据进行处理. 将其折射率反演结果和atmPrf资料 (利用全谱反演方法计算得到) 一起, 与对应的ECMWF 分析场资料进行统计比较, 结果表明: 在5 km以下, 正则变换方法计算的折射率的相对误差的平均值普遍大于atmPrf资料. 其原因可能为: 正则变换方法将信号从LEO轨迹后传播至辅助屏, 造成孔径缩小, 精度下降. 同时也讨论了信号截断对低对流层中反演精度和掩星个数的影响. 关键词： 无线电掩星 大气多路径 多相位屏技术 正则变换方法     

激光掩星探测大气水汽的阿贝尔变换

对流层顶-平流层下区域(UTLS)的水汽分子密度对于研究全球变化、大气物质能量交换具有十分重要的意义,激光掩星技术可能是 一种探测该区域水汽的有效手段。掩星对于大气探测的核心思想源于阿贝尔(Abel)变换。GPS掩星的阿贝尔积分变换表达的是 连线的折射角与切点处折射率之间的关系,而与GPS掩星的阿贝尔积分变换不同的是,激光掩星的阿贝尔积分变换建立的是全路 径大气光学厚度与切点处大气消光系数之间的关系。从光线的程函方程出发,通过变量替换、坐标置换,从而建立起 大气光学厚度与大气消光系数之间的关系。由于光在切点处大气的消光系数和该处大气的水汽浓度成正比,因此分别在微 卫星和微卫星之间发射、接收0.935 $\mu$m掩星激光脉冲,连接两者之间的光束穿过大气层,计算积分路径上其水汽双波长 差分光学厚度,由阿贝尔积分变换反演即可获得光束路径切点处水汽浓度。随着掩星连线的上下移动,连线切点高度随着卫星 相向或背向而行而变化形成水汽浓度廓线。由于激光束发散角小,因此由激光掩星方法获得的水汽廓线高程精度高, 水汽的吸收消光可以直接得到水汽的分子密度,优于GPS掩星的相位延迟间接方法,可以更直接精确地探测大气对流层顶-平 流层下区域的水汽分子密度。此外,研究表明激光掩星方法的光谱分辨率优于太阳掩星方法的光谱分辨率。     

无线电掩星滑动频谱方法和后传播方法的分析比较

本文详细介绍了滑动频谱方法,并通过模拟仿真和实测资料处理与后传播方法进行比较. 通过对模拟仿真信号反演发现:后传播方法和滑动频谱方法均能削弱大气多路径的影响,后传播方法在一定程度上优于滑动频谱方法;在模拟信号的相位中加入高斯噪声对后传播方法影响不大,但对滑动频谱方法影响较大,尤其在边界层以下. 分别用后传播方法和滑动频谱方法对2007年第71天至73天共约4500个COSMIC掩星数据进行处理. 将折射率反演结果与ECMWF分析场资料进行统计比较,结果显示:滑动频谱方法反演的掩星廓线深度大于后传播方法;后 关键词： GPS/LEO掩星 多相位屏模型 后传播方法 滑动频谱方法     

利用COSMIC掩星数据分析电离层扩展F层现象

利用2009年的COSMIC掩星观测数据,分析电离层扩展F层不均匀结构引起的GPS卫星C/A码信噪比闪烁,研究全球范围内扩展F层的出现随地理位置、地方时变化的统计特征。初步分析结果表明,扩展F层在3月份主要出现在低纬地区和两极地区,主要发生在地方时日落至午夜之间,有时可延至午夜后数小时。本文结果和以往利用其他观测手段获得的结果较为一致,说明GPS掩星技术可以作为观测全球扩展F层的一种有效手段。     

A dual-frequency GNSS sensor for space applications

High-performance laboratory breadboards of a dual-frequency global navigation satellite system (GNSS) receiver have been developed at the Institute of Satellite Navigation at the University of Leeds (ISN) for a number of years under a European Space Agency (ESA) programme. The main objective of these breadboards is to serve as development tools for receiver signal-processing research in view of scientific applications of GNSSs. Some of these applications will be realized by means of receivers embarked on satellites in low earth orbit (LEO) as part of on-going and future ESA programmes and will include precise orbit determination, radio occultation measurements and measurements of the parameters characterizing GNSS signals reflected at the sea surface. The principal application for which the signal-processing developments described in this paper have been targeted is radio occultation. During an occultation event the GNSS signal encounters a challenging environment. Substantial Doppler dynamics occur during a measurement, due to the effect of sharp gradients of the refraction index. Signal attenuation and deep fading caused by multipath propagation are also encountered. The areas of concern are the acquisition and tracking of signals in high dynamics and at low carrier-to-noise ratios (C/N₀), and also the performance of tracking the GPS P code without full knowledge of the spreading code, as dual-frequency atmospheric measurements are crucial to this application. © 1998 John Wiley & Sons, Ltd.