Development of Nd (III)-Based Terahertz Absorbers Revealing Temperature Dependent Near-Infrared Luminescence

Molecular vibrations in the solid-state, detectable in the terahertz (THz) region, are the subject of research to further develop THz technologies. To observe such vibrations in terahertz time-domain spectroscopy (THz-TDS) and low-frequency (LF) Raman spectroscopy, two supramolecular assemblies with the formula [Nd^III (phen)₃ (NCX)₃] 0.3EtOH (X = S, 1-S; Se, 1-Se) were designed and prepared. Both compounds show several THz-TDS and LF-Raman peaks in the sub-THz range, with the lowest frequencies of 0.65 and 0.59 THz for 1-S and 1-Se, and 0.75 and 0.61 THz for 1-S and 1-Se, respectively. The peak redshift was observed due to the substitution of SCN⁻ by SeCN⁻. Additionally, temperature-dependent TDS-THz studies showed a thermal blueshift phenomenon, as the peak position shifted to 0.68 THz for 1-S and 0.62 THz for 1-Se at 10 K. Based on ab initio calculations, sub-THz vibrations were ascribed to the swaying of the three thiocyanate/selenocyanate. Moreover, both samples exhibited near-infrared (NIR) emission from Nd (III), and very good thermometric properties in the 300–150 K range, comparable to neodymium (III) oxide-based thermometers and higher than previously reported complexes. Moreover, the temperature dependence of fluorescence and THz spectroscopy analysis showed that the reduction in anharmonic thermal vibrations leads to a significant increase in the intensity and a reduction in the width of the emission and LF absorption peaks. These studies provide the basis for developing new routes to adjust the LF vibrational absorption.     

基于星载宽刈幅散射计的海面舰船目标检测方法与识别

针对全球海面舰船目标检测的需求,结合宽刈幅与方位高分辨的需求,提出了一种基于星载宽刈幅散射计的海面舰船目标检测方法.该方法使用扇形波束旋转扫描散射计,发射宽带线性调频信号,对回波信号进行方位高分辨,海面目标二维检测,得到舰船的多次观测信息.使用方位角、多普勒频率、高分辨距离像等观测数据,计算船长、船速、与卫星运动方向夹...     

Twelve-Nitrogen-Atom Cyclic Structure Stabilized by 3d-Element Atoms: Quantum Chemical Modeling

Using various versions of density functional theory (DFT), DFT M06/TZVP, DFT B3PW91/TZVP, DFT OPBE/TZVP, and, partially, the MP2 method, the possibility of the existence of 3d-element (M) compounds with nitrogen having unusual M: nitrogen ratio 1:12, unknown for these elements at the present, was shown. Structural parameter data were presented. It was shown that all MN4 groupings have tetragonal-pyramidal structure. It was noted that the bond lengths formed by nitrogen atoms and an M atom were equal to each other only in the case of M = Ti, V, Cr and Co, whereas for other Ms, they were slightly different; moreover, the bond angles formed by nitrogen atoms and an M atom were equal to 90.0°, or practically did not differ from this value. Thermodynamic parameters, NBO analysis data and HOMO/LUMO images for this compound were also presented. Good agreement between the calculated data obtained using the above three quantum chemical methods was also noted.     

Study on calculation method of surface subsidence about the dewatering concretion of clay influenced by mining

Under the condition of thick alluvia, there is biggish declination in predicting the coal mining subsidence by commonly strip design method compared with the practical observation, the sinkage is much smaller. Based on the method of the probability integral about coal mining subsidence calculation, discussed the surface subsidence calculation and deduced the formulas caused by the clay with dewatering. The results show that the clay dewatering has great impact on surface subsidence. Therefore, the clay dewatering on surface subsidence should not be overlooked.     

A model of unfrozen water content in rock during freezing and thawing with experimental validation by nuclear magnetic resonance

The unfrozen water content of rock during freezing and thawing has an important influence on its physical and mechanical properties.This study presented a model for calculating the unfrozen water content of rock during freezing and thawing process,considering the influence of unfrozen water film and rock pore structure,which can reflect the hysteresis and super-cooling effects.The pore size distribution cu rves of red sandsto ne and its unfrozen water conte nt under different temperatures during...     

圈闭要素计算方法及应用效果

断块油田的油气聚集和分布,在很大程度上受各种类型的断层所控制。这种油田具有构造面貌复杂、含油层系多、油水关系复杂、含油丰度差别大等特点,给油气勘探和开发造成了许多困难和不便。目前,有关断块构造圈闭的统计尚无统一标准。以往所用的取值方法是沿用背斜圈闭的要素统计方法,不能适用于复杂的断块构造圈闭。本文以断层圈闭特点为基础,以影响圈闭性能的各种因素间的函数关系为依据,提出了具有较厚盖层和储层地区的断层圈闭要素的计算方法。将此法应用于东濮凹陷,取得了较高精度的含油圈闭面积。     

确定注蒸汽开发稠油油藏原油采收率的三参数注采特征曲线法

三参数注采特征曲线能够很好地揭示累积注汽量与累积产油量之间的半对数线性关系，可以用于注蒸汽开发稠油油藏原油采收率的计算。针对三参数注采特征曲线不能采用常规的最小二乘法确定模型参数的问题，提出了求解模型参数的两种简单方法，即线性回归法和等步长法。线性回归法仅适用于汽油比有规律增大的油藏，而等步长法与汽油比无关，适用范围较线性回归法要广。通过实例验证表明，用三参数法计算稠油油藏原油采收率是适用、有效的     

In-Ga合金源汽相外延生长In_xGa_(1-x)As体系的热力学分析

本文采用独立组元法对In-Ga合金源汽相外延生长In_xGa_(1-x)As体系的平衡状态作了热力学计算和分析,所得结果对认识该体系外延生长的规律性及改进工艺条件有一定参考价值.     

扩频信号基于FFT码捕获的计算量分析

扩频通信技术中信号的捕获是扩频体制的关键.从快速捕获的角度出发,对传统捕获方法和基于FFT的快速捕获方法的原理进行了对比,并对不同捕获方法的计算量进行了分析和比较.获得基于FFT的循环相关捕获方法其计算量比传统方法少了3个数量级以上的结果.得到该方法在硬件实现中与传统滑动相关法相比大大节省了资源,减少了耗时的结论.     

硝胺单元推进剂燃速的理论计算

在火炸药燃速预估模型的基础上，分析了硝胺单质炸药的热分解特征，提出了硝胺单元推进剂燃烧初期热分解机理的有关假说，并将气相分解产物分类为氧化剂、还原剂、可裂解自由基和惰性基团，进而提出了硝胺单元推进剂燃速和压力指数公式．运用该公式可从化学结构出发计算硝胺单质炸药的燃速和压力指数．通过十种不同类型硝胺单元推进剂燃速的实际计算表明，理论值与实测值十分一致．由此讨论了影响硝胺单质炸药燃速与燃速压力指数的化学结构因素．