Role of buffer layer in electronic structures of iron phthalocyanine molecules on Au(111)

We investigate the electronic structures of one and two monolayer iron phthalocyanine (FePc) molecules on Au(111) surfaces. The first monolayer FePc is lying flat on the Au(111) substrate, and the second monolayer FePc is tilted at ～15° relative to the substrate plane along the nearest neighbour [101^-] direction with a lobe downward to the central hole of the unit cell in the first layer. The structural information obtained by first-principles calculations is in agreement with the experiment results. Furthermore, it is demonstrated that the electronic structures of FePc molecules in one-monolayer FePc/Au(111) system are perturbed significantly, while the electronic structures of FePc molecules in the second monolayer in two-monolayer FePc/Au(111) system remain almost unchanged due to the screening of the buffer layer on Au(111).     

北太平洋副热带模态水盐度的年代际变化

副热带模态水(Subtropical Mode Water;STMW)在气候变化中起着重要作用。本文利用全球高分辨率数值模拟结果,研究了北太平洋STMW核心层盐度(Core Layer Salinity;CLS)的年代际变化及其物理机制。结果表明,CLS存在显著的年代际变化,其空间分布则与背景流场分布特征有关。侵蚀区CLS滞后生成区CLS约1~2年,这主要是海流平流输运引起的。生成区内,STMW的季节循环一般可分为生成期(12-4月)、隔离期(5-6月)和侵蚀期(7-11月),生成期混合层盐度(Mixed Layer Salinity;MLS)决定着隔离期和侵蚀期的CLS,而MLS年代际变化则主要由同太平洋年代际涛动存在负相关性的海表面淡水通量的变化引起。     

Tides in the Tongan Region of the Pacific Ocean

Tidal levels and currents in the Tongan region of the Pacific were simulated using a two-dimensional frequency-domain finite element model. The eight major diurnal and semidiurnal tidal constituents were modeled successfully, using open boundary conditions taken from a global tidal model based on the Topex/Poseidon satellite altimeter. Comparison of model results with observations from the single tide gauge site in the area were later used to adjust the boundary conditions. The validity of omitting horizontal eddy viscosity from the finite element model was checked by running an equivalent finite difference model. The results show that although the submarine Tongan ridge does not appear to trap tidal energy, there are residual tidal currents and possible recirculations which are capable of influencing biological productivity around Tonga. The model results are reduced to a simple method for predicting tidal heights in outlying areas, based only on the tidal calendar for the capital, Nuku'alofa.     

Nitrogen utilisation by size‐fractionated phytoplankton assemblages associated with an upwelling event off Westland,New Zealand

Abstract

Uptake rates of ammonium (NH₄ ⁺ ), nitrate (NO₃ ^? ), and urea by three subgroups of phytoplankton (< 200, < 20, < 2 μm) off Westland, were measured using ¹⁵ N tracer techniques in midwinter 1988, after a recent upwelling. For all size fractions at surface irradiance (I₁₀₀), nitrogen (N) was taken up primarily as NO₃ ^?. This accounted for 67–85% of total N uptake (SρN), whereas at 40 and 7% of surface irradiance, the regenerated N (NH₄ ⁺ ) and urea) made up 31–72% of SρN. Depth profile experiments for all three size components showed that uptake of NO₃ ^? was most light‐sensitive, followed by that of NH₄ ⁺ and urea. The irradiance and nutrient availability plot indicated that light was substantially more important than the nutrient concentrations in controlling the assimilation of N by microplankton (20–200 μm). Nano‐ (2–20 μm) and picoplankton (< 2 μm) however, were not as sensitive to either light or nutrient concentrations. High winds and the resulting deep mixing, combined with offshore and alongshore advection in the midwinter, were suggested to be the major cause of the low biomass and N productivity.     

The improvement of the one-dimensional Mellor-Yamada and K-profile parameterization turbulence schemes with the non-breaking surface wave-induced verticalmixing

Both the level 2.5 Mellor-Yamada turbulence closure scheme(MY) and K-profile parameterization(KPP) are popularly used by the ocean modeling community.The MY and the KPP are improved through including the non-breaking surface wave-induced vertical mixing(Bv),and the improved schemes were tested by using continuous data at the Papa ocean weather station(OWS) during 1961–1965.The numerical results showed that the Bv can make the temperature simulations fit much better with the continuous data from Papa Station.The two improved schemes overcame the shortcomings of predicting too shallow upper mixed layer depth and consequently overheated sea surface temperature during summertime,which are in fact common problems for all turbulence closure models.Statistical analysis showed that the Bv effectively reduced the mean absolute error and root mean square error of the upper layer temperature and increased the correlation coefficient between simulation and the observation.Furthermore,the performance of vertical mixing induced by shear instability and the Bv is also compared.Both the temperature structure and its seasonal cycle significantly improved by including the Bv,regardless of whether shear instability was included or not,especially for the KPP mixing scheme,which suggested that Bv played a dominant role in the upper ocean where the mean current was relatively weak,such as at Papa Station.These results may provide a clue to improve ocean circulation models.     

Influence of salinity on permeability characteristics of marine sediments

Abstract

Laboratory tests were conducted on compacted marine sediments to study the effect of salt concentration of permeating fluid on its permeability characteristics. Deep sea sediment samples were collected from water depths varying from 3700 to 4500 m off Mauritius coast. Liquid limit and plasticity index varied widely from 45 to 75 and 10 to 35, respectively. Permeability was found at different void ratios with distilled water and 0.2, 0.4, and 0.8 N NaCl solutions as permeating fluid. It was found that permeability increases with an increase in salt concentration for a given void ratio. This is explained by diffused double layer theory. Also, the rate of increase in permeability decreases with increase in salt concentration. The effect of salt concentration seemed to be less at higher void ratios.     

Spatiotemporal variation and mechanisms of temperature inversion in the Bay of Bengal and the eastern equatorial Indian Ocean

In the northern Bay of Bengal, the existence of intense temperature inversion during winter is a widely accepted phenomenon. However, occurrences of temperature inversion during other seasons and the spatial distribution within and adjacent to the Bay of Bengal are not well understood. In this study, a higher resolution spatiotemporal variation of temperature inversion and its mechanisms are examined with mixed layer heat and salt budget analysis utilizing long-term Argo（2004 to 2020） and RAMA（2...     

某铅锌尾矿库对地下水环境影响及防治措施

铅锌尾矿的浸出液中含有重金属等对地下水环境有重要影响的污染因子。利用地下水数值模拟专业软件GMS,结合研究区水文地质条件,对不同工况下地下水环境的影响程度及范围进行模拟计算。结果表明,达到Ⅱ类工业固体废弃物处置场规定的防渗要求条件下,尾矿库运行浸出液下渗量有限(2.8 m3/d),并不会使区域地下水超出《地下水质量标准》Ⅲ类标准,而防渗层仅出现10%破损时,浸出液下渗量为(97.22 m3/d),使地下水下游方向50 m内地下水中Pb超出Ⅲ类标准,超标范围约0.0375 km2。反映出该类处置场中的防渗措施是对地下水环境保护的重要保证。     

黏土不透水层确定及水压力分布规律试验研究

工程上将满足一定条件下的黏土层介质视为隔水层。通过模型试验的方法,对黏土层为不透水层的确定方法以及黏土层内部的水压力分布规律进行了研究。通过试验分析得出了某给定黏土层为隔水层的特定条件：即找出了黏土层的厚度、渗透系数及层上水头高度三者的关系和给定黏土层的起始水力坡降,得到了黏土层内已渗透水部分的水压力分布规律。试验结果对工程实际具有一定的指导作用。     

新疆东准噶尔成矿带浅覆盖区地质填图效果——以杜热一带浅覆盖区基岩地质填图为例

如何“剥离”盖层,以获取盖层下伏基岩地质(地层、岩浆岩、构造)及矿化信息是开展成矿带浅覆盖区地质填图的重要研究内容。结合区域地质及地球物理场特征,梳理了填图区与基岩地质填图有关问题,在填图区岩石物性分析的基础上,通过对1:5万重力、磁力和激电(IP)测量数据处理分析,采用多参数互约束解释技术和钻探验证约束技术“剥离”盖层,进而获得杜热一带覆盖区下伏基岩地质图,并提出以“穿透性”地球物理探测技术(重磁电)为先导,融合地质、地球化学、浅钻为一体的综合调查技术。在填图区新识别隐伏岩体43处(包括中酸性岩体18处,中基性岩体21处, 基性—超基性岩体4处),划分主要断裂构造22条,进而划分出阿尔曼太-扎河坝蛇绿混杂岩带、北部萨吾尔—二台古生代复合岛弧带和南部谢米斯台-库兰喀孜干古生代复合岛弧带3个三级地质构造分区;划分出奥依达格-吉勒库木铜金钴、铬铁矿找矿远景区1处,圈定找矿靶区4处,其中位于阿尔曼太-扎河坝蛇绿混杂岩带西延带的浅覆盖区玉塔斯铜金钴找矿靶区具有很好的找矿潜力。通过地球物理解译和钻探验证,成功预测并新发现准格尔北缘盆山结合带扎河坝-阿尔曼太蛇绿混杂岩带向西部浅覆盖区延伸。杜热一带浅覆盖区基岩地质填图效果表明,开展成矿带浅覆盖区基岩地质填图可为区域构造环境、成矿地质背景研究和找矿靶区预测提供重要基础地质和矿化蚀变信息。