钙钛矿结构MgSiO3的分子动力学研究——体系大小对弹性性质与状态方程的影响

本文利用分子动力学模拟方法,研究了300~3000K、0.1~100GPa条件下,MgSiO3钙钛矿大小两个体系的平衡状况和热力学性质,并将大小两个体系的模拟结果与高温高压实验结果进行比较,验证体系大小对哪些物理性质有影响以及影响有多大,为后续工作选择合适的模拟体系进行模拟研究工作提供参考。研究发现,无论在模拟的平衡过程中还是利用模拟数据对状态方程参数的拟合中,大体系的拟合结果都比小体系的计算结果接近高温高压实验结果。大体系的各项模拟结果与高温高压实验结果相比,相差均在1%左右。因此,在计算条件允许的情况下,尽量模拟较大的体系有助于得到更精确的分子动力学研究结果。     

In situ neutron diffraction study of deuterated portlandite Ca(OD)2 at high pressure and temperature

The structure of deuterated portlandite, Ca(OD)₂, has been investigated using time-of-flight neutron diffraction at pressures up to ∼4.5 GPa and temperatures up to ∼823 K. Rietveld analysis of the data reveals that with increasing pressure, unit-cell parameter c decreases at a rate about 4.5 times larger than that for a, which is largely due to rapid contraction of the interlayer spacing in this pressure range. Fitting of the determined cell volumes to the third-order Birch–Murnaghan equation of state yields a bulk modulus (K ₀) of 32.2 ± 1.0 GPa and its first derivative (K ₀′) of 4.4 ± 0.6. Moreover, on compression, hydrogen-mediated interatomic interactions within the interlayer become strengthened, as reflected by decreases in interlayer D···O and D···D distances with increasing pressure. Correspondingly, D–D, the distance between the three equivalent sites over which D is disordered, increases, suggesting a pressure-induced hydrogen disorder. This behavior is similar to that reported in brucite at elevated pressure. On heating at ∼2.1 GPa, cell parameter c increases more rapidly than a, as expected. However, because of the pressure effect, the thermal expansion coefficients, particularly along c, are much smaller than those at ambient pressure. With increasing temperature, the three partially occupied D sites become further apart, and the D-mediated interactions, mainly the interlayer D···D repulsion, become weakened.     

龙门山断裂带的性质与活动性研究

沿龙门山构造带两侧，在9个100～500m深的钻孔中进行了水压致裂地应力测量，获得了断裂带两侧地表浅部构造应力的大小、方向和分布特征。据这些实测的应力资料，用库仑摩擦滑动准则分段研究了断裂带的性质和活动性。结果表明：试验得到的摩擦强度(0．6～1．0)似乎适用于浅部断层构造，地壳浅部地应力的大小和方向与断裂的性质及活动性密切相关，应力状态与断裂带的逆冲性质相一致；在断裂带东段的广元地区．中段的平武、汶川和茂县地区，实测的最大水平主应力值达不到逆断层活动要求的临界状态；而西段与鲜水河断裂带、南北向构造带复合部位的二郎山地区，现今构造应力状态比较复杂．实测的最大水平主应力值满足逆断层活动要求的临界状态。     

Importance of diffuse nutrient loading and lake level changes to the eutrophication of an originally oligotrophic boreal lake: a palaeolimnological diatom and chironomid analysis

The recent environmental history of Lake Lappajärvi in western Finland (63°00 N, 23°30 E, area 149 km²), a humic, brown water lake with an average phosphorus content of ca. 20 g l^–1, was studied from short core sediment samples taken from the two main basins of the lake. Based on the stratigraphy of diatoms and chironomids and the sediment quality it was possible to distinguish four developmental stages during the past century: (1) a pre-industrial stage covering the time up to about 1935; (2) a stage of increasing nutrient loading (ca. 1936–1960); (3) a stage of pronounced erosion from lake level regulation and extensive ditching of the catchment area (ca. 1960–1970); and (4) a meso-eutrophic stage from ca. 1970 onwards.Acidophilous Aulacoseira distans coll. and other species typical of dystrophic, nutrient-poor lakes characterized the diatom assemblages during the first stage, and the profundal zoobenthic assemblages, characterized by Heterotrissocladius subpilosus and Micropsectra, indicated good hypolimnetic oxygen conditions and a low sedimentation of organic matter (approx. less than 50 g m^–2 a^–1). The increased loading rapidly led to changes both in diatoms and chironomids (e.g., to an early extinction of H. subpilosus in the 1950s). The process finally led to eutrophication with a successive proliferation of diatom species such as Asterionella formosa followed by Aulacoseira ambigua, Fragilaria crotonensis, and finally Melosira varians. The relative proportion of alkaliphilous species reached a maximum in the final stage and the original profundal chironomid fauna was replaced by Chironomus anthracinus gr. and C. plumosus which are typical of profundal areas suffering from temporal oxygen deficit. It is notable that the considerable decrease in waste water loading from the point sources (80–86% ) during the past two decades has not led to a recovery in the lake. This highlights the importance of diffuse loading from agriculture, forestry and other human activities even to this comparatively large lake.     

鄂尔多斯盆地西峰油田延长组油砂中不同赋存状态烃的地球化学特征

通过对鄂尔多斯盆地西峰油田三叠系延长组6个油砂样品中游离烃、封闭烃、碳酸盐胶结物烃、束缚烃和石英颗粒包裹体烃的分步分离和抽提，并对每类烃的不同馏分进行GC—MS分析，结果表明，研究区烃类来自同一类型的烃源岩，烃类形成于开阔水体条件下还原的淡水湖相环境，烃类的母质类型来源于Ⅰ—Ⅱ型干酪根，主要是细菌和藻类，也有一定量的陆生高等植物的输入。C29甾烷20S／(20S 20R)和ββ／(αα ββ)的比值，显示从包裹体烃、束缚烃到游离烃，其成熟度逐渐增强，反映了油气从烃源岩进入储层成藏的先后差异。     

预报业务工作中的动态与思考

围绕天气预报业务工作的中心,以提高预报准确率为主题,概括地介绍了目前国内动态,并提出了新世纪中预报业务发展所需注意的几个问题。     

破裂临界状态下大理岩的剪切波分裂特征

以山东莱州大理岩为样品对岩样在破裂临界状态下的剪切波分裂特征进行了观测和分析,在两个样品上,得到破裂临界状态下的系列记录,结果表明,在岩石崩溃之前的临界状态下,即使载荷不变,剪切波分裂时间延迟也可能会有涨落现象,即剪切波分裂时间延迟可能会有一个下降的过程。     

Effect of pressure on the thermal expansion of MgO up to 8.2 GPa

Isobaric volume measurements for MgO were carried out at 2.6, 5.4, and 8.2 GPa in the temperature range 300–1073 K using a DIA-type, large-volume apparatus in conjunction with synchrotron X-ray powder diffraction. Linear fit of the thermal expansion data over the experimental pressure range yields the pressure derivative, (∂α/∂P) _T , of −1.04(8) × 10⁻⁶ GPa⁻¹ K⁻¹ and the mean zero-pressure thermal expansion α_{0, T}  = 4.09(6) × 10⁻⁵ K⁻¹. The α_{0, T} value is in good agreement with results of Suzuki (1975) and Utsumi et al. (1998) over the same temperature range, whereas (∂α/∂P) _T is determined for the first time on MgO by direct measurements. The cross-derivative (∂α²/∂P∂T) cannot be resolved because of large uncertainties associated with the temperature derivative of α at all pressures. The temperature derivative of the bulk modulus, (∂K _T/∂T) _P , of −0.025(3) GPa K⁻¹, obtained from the measured (∂α/∂P) _T value, is in accord with previous findings. Received: 2 April 1999 / Revised, accepted: 22 June 1999     

Moscow and St. Petersburg, a sequence of capitals, a tale of two cities

From early modern times until the present, Russia (temporarily extended to the USSR) had two capital cities: Moscow and Petersburg. Moscow was the original capital, it was succeeded by Petersburg from the beginning of the 18th century. From the early 20th century onward Moscow again became the capital, but it became a different kind of capital at the end of the 20th century. The paper describes the evolution of the representation of the state function in the appearance of the capital cities by way of the state buildings, the monuments, the street names. In addition it analyses the fate of the former capitals (first Moscow, then Petersburg) in terms of their symbolic functions. Petersburg originated as a capital turned to the outside emphasizing Russia's European vocation, while Moscow was at first the inward looking capital city representing the distinctive spiritual values of Russia. Changes had to do with the changes in the nature of the successive political regimes and with the changing roles of the two cities within those regimes.     

结构振动的模糊状态控制法

本文介绍了一种模糊状态控制法,将结构的状态（即反应）进行模糊化,按照某种经验法则对结构反应进行控制。使用这种方法使得振动控制计算简便、控制直接和控制效果显著。