DFT对Rb⁺水合团簇及其相关性质的分析          下载免费PDF全文

张文倩  葛蒲  房春晖  周永全  朱发岩  刘红艳  李武 《盐湖研究》2019,27(3):81-92

运用密度泛函理论(DFT)在ωB97XD/gen (O、H元素Aug-cc-PVDZ; Rb元素Lanl2DZ)基组水平上研究了[Rb(H_2O)_n]~+(n=1～12)水合团簇的结构和光谱学性质。研究结果表明,通过分析气相和液相中的稳定能以及水合团簇可知,稳定构型出现在8配位的团簇中。第一配位层水分子数为8时形成Rb~+第一近似饱和水合层。此外,拉曼光谱显示[Rb(H_2O)_n]~+(n=1～12)水合团簇中O-H伸缩振动峰随着水分子数增加发生移动和加宽,Rb~+发生水合时,O-H对称和非对称伸缩振动发生红移,随着水合数的增多,频率蓝移。此外,文中对拉曼光谱中O-H振动的频率位置结合团簇结构进行了说明。  相似文献   

A probabilistic approach for computing water retention of particulate systems from statistics of grain size and tessellated pore network     

Richard Wan  Mehdi Pouragha  Mahdad Eghbalian  Jérôme Duriez  Tai Wong 《国际地质力学数值与分析法杂志》2019,43(5):956-973

The paper offers an analytical determination of the hydraulic properties of an unsaturated soil with reference to its retention curve, which describes the relationship between the volumetric water content and capillarity through matric suction. The analysis combines a particulate approach focused on the physics at the pore scale, including microstructural aspects, with a probabilistic approach where the void space and grain size are considered as random variables. In the end, the soil water characteristic curve of an unsaturated granular medium along a drying path can be derived analytically based on the sole information of particle size distribution. The analysis hinges on the tessellation of a wet granular system into an assemblage of tetrahedral unit cells revealing a pore network upon which capillary physics are computed with respect to pore throat invasion by a non-wetting fluid with evolving pendular capillary bridges. The crux of the paper is to pass from particle size probability distribution to a matching void space distribution to eventually reveal key information such as void cell and solid volume statistics. Making reasonable statistically based assumptions to render calculations tractable, the water retention curve can be readily constructed. Model predictions compare quite favourably with experimental data available for actual soils, especially in the high saturation range. Having a sound scientific basis, the model can be made amenable to address a variety of soils with a wider range of particle sizes.  相似文献   

南海东北部陆架边缘第四纪高分辨率层序地层和沉积体系演化及其控制因素     

刘汉尧  林畅松  张忠涛  张博  姜静  田洪训  刘欢 《海洋学报(英文版)》2019,38(5):86-98

The northeastern shelf margin of the South China Sea(SCS) is characterized by the development of large scale foresets complexes since Quaternary. Based on integral analysis of the seismic, well logging and paleontological data, successions since ～3.0 Ma can be defined as one composite sequence, consist of a set of regional transgressive to regressive sequences. They can be further divided into six 3 rd order sequences(SQ0–SQ5) based on the Exxon sequence stratigraphic model. Since ～1.6 Ma, five sets of deltaic systems characterized by development of wedge-shaped foresets complexes or clinoforms had been identified. High-resolution seismic data and the thick foresets allowed further divided of sub-depositional sequences(4 th order) of regression to transgression, which is basically consistent with published stacked benthic foram O-isotope records. Depositional systems identified in the study area include deltaic deposits(inner-shelf deltas and shelf-edge deltas), incised valleys, and slope slumping massive deposits. Since ～1.6 Ma, clinoforms prograded from the southern Panyu Lower Uplift toward the northern Baiyun Depression, shelf slope break migrated seaward, whereas the shelf edge of SQ0 migrated landward. The development of incised valleys in the continental shelf increased upward,especially intensive on the SB3 and SB2. The slumping massive deposits increased abruptly since SB2, which corresponds to the development of incised valleys. The evolution of depositional systems of continental slope mainly controlled by the combined influence of sea level changes, tectonic movements, sediment supply and climate changes. Since ～3.0 Ma, relative sea level of the northern SCS had been experienced transgression(～3.0 Ma BP) to regression(～1.6 Ma BP). The regional regression and maximum transgressions of the composite sequences were apparently enhanced by uplift or subsidence related to tectono-thermal events. In addition,climatic variations including monsoon intensification and the mid-Pleistocene transition may have enhanced sediment supply by increasing erosion rate and have an indispensable influence on the development of the incised valleys and 5 sets of deltaic systems since ～1.6 Ma.  相似文献   

Research on the Method of De-noising the Short-wave Time Signal at Low SNR     

《Chinese Astronomy and Astrophysics》2019,43(4):579-589

A voice enhancement algorithm based on the Empirical Mode Decomposition (EMD) and the improved spectral subtraction is proposed for the low-SNR (Signal Noise Ratio) shortwave time signal. This method is proposed to solve the problem that the shortwave time signal cannot be used for timing in complex noisy environments. The core idea of this method is to use the Hilbert-Huang Transform (HHT) algorithm to make the empirical mode decomposition on the noisy shortwave signal, and to select the intrinsic mode functions containing the shortwave signal information for the signal reconstruction by through the maximum correlation. Then, to make the spectral subtraction on the reconstructed signal to achieve the purpose of noise reduction. The experimental result shows that this method has a better noise reduction than the traditional methods.  相似文献   

长江口盐度梯度下不同形态碳的分布、来源与混合行为   总被引：1，自引：0，他引：1  

叶君  姚鹏  徐亚宏  王金鹏  赵彬 《海洋学报》2019,41(4):15-26

河口碳的生物地球化学过程是全球碳循环的重要组成。通过测定溶解无机碳（DIC）及其稳定同位素丰度（δ13C_DIC），溶解有机碳（DOC），有色溶解有机物（CDOM），颗粒有机碳（POC）及其稳定同位素丰度（δ13C_POC）与元素比值（N/C）及相关指标，研究了2014年7月长江口盐度梯度下不同形态碳的分布、来源和混合行为。结果表明，DIC浓度、DOC浓度、POC含量分别为1 583.2~1 739.6 μmol/L，128.4~369.4 μmol/L和51.2~530.8 μmol/L，这些不同形态碳及CDOM的荧光组分的分布模式相似，均是从口内到口外，整体呈现先增大后减小的趋势，并与盐度呈现非保守混合行为。添加作用主要发生在在口门处最大浑浊带附近。与含量相反，从口内到口外，δ13C_DIC和δ13C_POC均呈现逐渐减小再增大的趋势，在口门附近达到最低值，分别为-9.7‰和-26.7‰。在口门附近不同形态碳含量上升及δ13C_DIC、δ13C_POC的降低可能主要与沉积物再悬浮及微生物作用有关。基于蒙特卡洛模拟的三端元混合模型的结果显示，河口内外POC来源变化明显，口内POC以陆源有机碳贡献为主，平均为62.3%，口外海源贡献逐渐增加。CDOM相关参数结果表明长江口CDOM主要来自陆源输入，海源及人类活动等也对其产生影响。  相似文献   

差分层析SAR技术研究现状分析     

张月  庞蕾  徐西桂  张天  张瑞菊 《测绘通报》2019,(1):5-12

差分层析SAR是在层析SAR基础上发展起来的一种四维信息反演技术。它不仅实现了对雷达目标的三维分辨能力，同时可以获取目标的形变速率信息，可实现对目标方位-距离-高度-时间四维成像，这对实现城市基础设施动态形变监测、古建筑风险评估、重要工程安全监测等应用具有重要实际意义和价值。本文基于差分层析SAR成像原理，分析了成像处理过程中存在的问题，总结了差分层析SAR成像算法研究现状和特点；最后列举了差分层析SAR技术的主要应用领域，并对其技术发展趋势进行了展望。  相似文献   

机载WIDAS数据的Landsat卫星反照率初步验证   总被引：1，自引：1，他引：0  

何丹丹  焦子锑  董亚冬  张小宁  丁安心  尹思阳  崔磊  常雅轩 《遥感学报》2019,23(1):53-61

随着精细化监测的需求,中高空间分辨率的地表反照率产品逐渐成为气候模型的主要输入。目前,中高空间分辨率反照率产品的验证主要基于地表站点的通量塔观测数据,区域机载飞行数据的验证依然相对较少。因此,本文基于区域机载数据验证Landsat反照率产品。针对内蒙古自治区根河森林试验区所获取的机载红外广角双模式成像仪(WIDAS)多角度反射率数据,应用BRDF原型反演算法估算其反照率,分析了应用机载数据验证中高空间分辨率反照率产品的潜力。2016年内蒙古根河森林试验区机载WIDAS飞行多角度观测的可用多角度范围为25°,以前的研究表明BRDF原型反照率反演算法表现出对小观测角度的反照率反演结果的鲁棒性。因此,机载WIDAS反照率在一定程度可用于星载反照率的验证。首先,基于核驱动模型和各向异性平整指数(AFX)提取了试验区4种MODIS二向性反射分布函数(BRDF)原型;然后,将其作为先验知识应用到根河森林WIDAS机载数据的反照率反演中;最后,用WIDAS反照率和单个地面通量塔观测的反照率对Landsat卫星数据的反照率进行初步验证。验证结果表明Landsat反照率与WIDAS反照率结果较为一致,但略有低估,总体均方根误差(RMSE)约为0.02,偏差为0.0057。在多角度观测范围较小时,BRDF原型的反照率反演算法可为星载地表反照率的验证提供了一种有效的验证手段。  相似文献   

中国区域MuSyQ叶面积指数产品验证与分析     

马培培  李静  柳钦火  何彬彬  赵静 《遥感学报》2019,23(6):1232-1252

对多源遥感数据协同生产的2010年—2015年中国区域1 km空间分辨率5天合成的MuSyQ（Multi-source data Synergized Quantitative remote sensing production system）叶面积指数LAI产品进行验证。参考现有的LAI产品（MODIS c5，GLASS LAI）和中国生态系统研究网络部分农田和森林站点可用的LAI地面测量数据，从时空连续性、时空一致性、精度和准确性等方面对中国区域的MuSyQ LAI产品进行定性和定量分析与评价。结果表明：（1） MuSyQ LAI产品在保证精度优于MODIS产品的情况下，时间分辨率和时空连续性均有提高。MuSyQ LAI与其他LAI产品（MODIS c5，GLASS LAI）在整体上有很好的一致性（RMSE=1.0，RMSE=0.81），但对常绿阔叶林高值处的描述不稳定；（2） 与LAI地面测量数据相比，MuSyQ LAI产品与地面参考图对比结果较好（最高相关性（R²=0.54）和较低总体误差（RMSE=0.96）），其在阔叶作物生长季高值处有些许低估且在某些阔叶林站点有些高估。整体上，MuSyQ LAI产品呈现出较高的精度，可靠的空间分布和连续稳定的时间分布，且对森林LAI的描述具有更可靠的动态范围。  相似文献   

广角水体体散射函数测量技术及其应用研究进展     

徐聪辉  李彩 《遥感学报》2019,23(6):1078-1090

水体体散射函数是描述水体中光在各方向散射特性的一个重要的固有光学参数,对水色遥感、水环境监测与保护、海气交互过程研究、水下军事目标跟踪等领域具有十分重要的意义。水体体散射函数测量尤其是覆盖0°—180°范围的广角体散射函数测量技术起步较晚,直接测量难度较大,一直以来都是一个棘手的科学难题。本文梳理了国内外广角水体体散射函数测量技术的发展历程,对于广角体散射函数测量技术,从原理上大致可以分为单一探测器转动式、多个固定探测器阵列式以及面阵CCD成像式等3大类,对不同测量原理下的测量技术进行详细分析,并对广角水体体散射函数测量技术在海洋生物光学、气泡跟踪、水色遥感等方面的相关应用进展进行总结和归纳,并对未来广角水体体散射函数的发展趋势和应用前景进行展望。  相似文献   

Estimation of crowd density from UAVs images based on corner detection procedures and clustering analysis     

Ali Almagbile 《地球空间信息科学学报》2019,22(1):23-34

With rapid developments in platforms and sensors technology in terms of digital cameras and video recordings, crowd monitoring has taken a considerable attentions in many disciplines such as psychology, sociology, engineering, and computer vision. This is due to the fact that, monitoring of the crowd is necessary to enhance safety and controllable movements to minimize the risk particularly in highly crowded incidents (e.g. sports). One of the platforms that have been extensively employed in crowd monitoring is unmanned aerial vehicles (UAVs), because UAVs have the capability to acquiring fast, low costs, high-resolution and real-time images over crowd areas. In addition, geo-referenced images can also be provided through integration of on-board positioning sensors (e.g. GPS/IMU) with vision sensors (digital cameras and laser scanner). In this paper, a new testing procedure based on feature from accelerated segment test (FAST) algorithms is introduced to detect the crowd features from UAV images taken from different camera orientations and positions. The proposed test started with converting a circle of 16 pixels surrounding the center pixel into a vector and sorting it in ascending/descending order. A single pixel which takes the ranking number 9 (for FAST-9) or 12 (for FAST-12) was then compared with the center pixel. Accuracy assessment in terms of completeness and correctness was used to assess the performance of the new testing procedure before and after filtering the crowd features. The results show that the proposed algorithms are able to extract crowd features from different UAV images. Overall, the values of Completeness range from 55 to 70 % whereas the range of correctness values was 91 to 94 %.  相似文献