酸性污染物欧拉型输送转化模式的研究

数值模式是研究酸性污染及其长距离输送特性的一种重要方法。７０年代以来，国内外发展了许多欧拉型的输送转化模式，我国在欧拉型酸性污染物长距离输送模式的研究中也取得了重要进展。主要介绍了国内外的欧拉酸性污染物输送转化模式，并就模式的发展方向进行了讨论。     

Molecular modeling of the 10-Å phase at subduction zone conditions

Molecular dynamics (MD) modeling of the 10-Å phase, Mg₃Si₄O₁₀(OH)₂·xH₂O, with x=2/3, 1.0 and 2.0 shows complex structural changes with pressure, temperature and water content and provides new insight into the structures and stabilization of these phases under subduction zone conditions. The structure(s) of this phase and its role as a reservoir of water in the mantle have been controversial, and these calculations provide specific predictions that can be tested by in situ diffraction studies. At ambient conditions, the computed structures of talc (x=0) and the 10-Å phases with x=2/3 and 1.0 are stable over the 350-ps period of the MD simulations. Under these conditions, the 10-Å phases show phlogopite-like layer stacking in good agreement with previously published structures based on powder X-ray diffraction data for samples quenched from high-pressure and high-temperature experiments. The calculations show that the 10-Å phase with x=2.0 is unstable at ambient conditions. The computed structures at P=5.5 GPa and T=750 K, well within the known stability field of the 10-Å phase, change significantly with water content, reflecting changing H-bonding configurations. For x=2/3, the layer stacking is talc-like, and for x=1.0, it is phlogopite-like. The calculations show that transformation between these two stackings occurs readily, and that the talc-like stacking for the x=2/3 composition is unlikely to be quenchable to ambient conditions. For x=2.0, the layer stacking at P=5.5 GPa and T=750 K is different than any previously proposed structure for a 10-Å phase. In this structure, the neighboring basal oxygens of adjacent magnesium silicate layers are displaced by b/3 (about 3 Å) resulting in the Si atoms of one siloxane sheet being located above the center of the six-member ring across the interlayer. The water molecules are located 1.2 Å above the center of all six-member rings and accept H-bonds from the OH groups located below the rings. The b/3-displaced structure does not readily transform to either the talc-like or phlogopite-like structure, because neither of these stackings can accommodate two water molecules per formula unit. There is likely to be a compositional discontinuity and phase transition between the b/3-displaced phase and the phase with phlogopite-like stacking. The simulations reported here are the first to use the recently developed CLAYFF force field to calculate mineral structures at elevated pressures and temperatures.     

The effect of an interface boundary layer on the resonance properties of a buried structure

This paper presents a model for the analysis of the diffraction of plane waves at a cavity in an infinite homogeneous linear elastic medium supported by a segmented lining. An elastic boundary layer is introduced between the cavity lining and the infinite medium. The boundary layer is simulated by ‘elastic boundary conditions’ in which the stress is proportional to the relative displacement of the lining and of the surrounding medium boundary. A closed‐form analytical solution of the problem was obtained using the Fourier–Bessel series, the convergence of which was proven. It was shown that the number of series terms required to obtain a desired level of accuracy can be determined in advance. Using amplitude–frequency response analysis it was shown that the boundary layer produces additional ‘pseudo‐resonance’ frequencies that depend on the layer properties. These frequencies are almost identical to the eigenvalues obtained from the simple analysis of a segmented elastically supported lining. Copyright © 2003 John Wiley & Sons, Ltd.     

四川新康风化淋滤型海泡石的热相变研究

以四川新康风化淋滤型海泡石为研究对象，利用X射线衍射分析和红外光谱分析技术，对海泡石的热相变过程及特征进行了研究。结果发现，四川新康风化淋滤型海泡石的相变过程与沉积型、热液型海泡石相变过程明显不同，其相变过程可以划分为两个阶段：800℃以下保持海泡石相；800℃以上海泡石相转化为斜顽辉石相。     

The magmatic to hydrothermal transition and its bearing on ore-forming systems

The exsolution of volatile phases from silicate magmas controls physical and chemical magma properties and influences large-scale geologic phenomena and processes having major societal and economic implications including the release of climate-altering gases to the atmosphere, the explosivity of volcanic eruptions, hydrothermal alteration, and the generation of magmatic–hydrothermal mineralization. These volatile phases exsolve from a wide variety of magmas and cover a very broad spectrum of compositions.

The transition from the orthomagmatic to the hydrothermal stages has important bearing on these fundamentally important geologic phenomena, and this report summarizes the published results of a dozen scientific investigations on the magmatic–hydrothermal transition as applied to volcanic eruption and magmatic–hydrothermal mineralization. These studies involve a variety of analytical and experimental methodologies, and many focus on fluid and melt inclusions from mineralized magmatic systems. A primary goal of each study is to better understand the role of magmatic volatiles and the importance of the magmatic–hydrothermal transition on these geologic processes.     

The structural role of Ti in aluminosilicate liquids in the glass transition range: insights from heat capacity and shear viscosity measurements

The shear viscosities and 1 bar heat capacities of glasses and melts along the 67mol% silica isopleth in the system SiO₂-Al₂O₃-Na₂O-TiO₂ have been determined in the temperature ranges 780-1140 K and 305-1090 K respectively. Anomalous behaviour of both these properties is observed for compositions rich in TiO₂ and/or Al₂O₃, an observation attributed to liquid-liquid phase separation followed by anatase crystallization. For samples which do not show anomalous behaviour, it is found that the partial molar heat capacity of the TiO₂ component previously determined in Al-free compositions reproduces our heat capacities to within 1.3%. Viscosity data show that addition of TiO₂ tends to increase viscosity and melt fragility at constant temperature. Furthermore, heat capacity and viscosity data may be combined within the framework of the Adam-Gibbs theory to extract values of the configurational entropy of the liquids and qualitative estimates of the variation of the average energy barrier to viscous flow. Configurational entropy at 900K is inferred to decrease upon addition of TiO₂, in contrast to previous results from Al-free systems. The compositional limit separating normal from anomalous behaviour, as well as the data for homogenous melts have been used to constrain the structural role of Ti in these samples. Our data are consistent with a majority of Ti in five-fold coordination associated with a titanyl bond, in agreement with previous spectroscopic studies. Furthermore, we find no evidence for a Ti-Al interaction in our samples, and we are led to the conclusion that Al and Ti are incompletely mixed, a hypothesis consistent with the observed reduction of configurational entropy upon addition of TiO₂, suggesting an important role of medium range order in controlling the variations in thermodynamic properties.     

用L-曲线法确定半参数模型中的平滑因子

提出了一种新的方法——L-曲线法确定平滑因子。通过确定合适的平滑因子，更好地控制了残差部分V^TPV与光滑度部分S^TRS之间的平衡，得到了更准确的参数估值。通过算例，将基于L-曲线法确定平滑因子的半参数模型解算方法和其他方法进行了比较。结果表明，用L-曲线法确定平滑因子后，提高了半参数模型计算结果的精度，可以更好地将观测值中的系统误差分离出来。     

基于数据融合的侧扫声纳图像预处理

论述了基于数据融合的侧扫声纳图像处理的特殊过程。根据现代侧扫声纳系统的特点，提出了利用声线跟踪法进行斜距改正，同时对目标阴影区进行了处理；对文献[1]的灰度不均衡的改正算法进行了改进。利用小波变换检测出灰度突变区，根据剔除突变区后计算的灰度改正系数进行航向上的灰度改正，并用模拟数据和实际数据进行了验证；鉴于波束展宽效应对远场目标造成的拖尾效应，论述了对拖尾效应使用的去卷积的改正算法。     

海洋平流的季节变化对La Nia事件成熟位相锁定的作用

用一个中等复杂程度的热带海气耦合模式模拟LaNi na事件成熟位相锁定在年底左右的特征并研究其形成的机制。结果表明 ,模式能很好地模拟观测到的LaNi na事件成熟位相锁定在年底左右的特征。LaNi na事件成熟位相锁定在年底主要由海洋气候基本态引起。海洋垂直平均流是LaNi na事件成熟位相锁定在年底左右的最主要因子。由海洋气候基本态的季节变化所引起的冷平流的季节变化是LaNi na事件成熟位相锁定在年底的机制。在LaNi na事件期间 ,1～ 5月份 ,赤道中东太平洋地区的冷平流较弱 ,它不能平衡海气热量交换过程的影响 ,因而海洋表面温度增加。这一过程使海气耦合不稳定度减弱 ,从而使LaNi na事件衰减。 6～ 12月份 ,赤道中东太平洋地区的冷平流较强。海气热量交换过程的影响不能平衡较强冷平流的影响 ,因而海洋表面温度减小。这一过程使海气耦合不稳定度加强 ,从而使LaNi na事件发展。这样 ,LaNi na事件成熟位相容易出现在年底左右。