第一原理计算过渡金属掺杂尖晶石型LiMn2O4的电子结构

尽管对过渡金属掺杂锰酸锂后放电平台的升高现象有众多实验研究,但对其机理的研究却鲜见报道.采用第一原理的密度泛函理论,计算了过渡金属M(M=Ti、Cr、Fe、Co、Ni、Cu、Zn)掺杂尖晶石型LiMn2O4的电子结构,并以此分析放电平台的升高机理.电子态密度分析发现由于M-3d能带的诱导作用,出现了新的O-2p能带,而锂脱出时获得的电子,主要是由费米能级附近O-2p能带提供的.当过渡金属M由Ti变化到Zn时,M-3d能带逐渐向低能量的方向移动,新的O-2p能带出现的位置也随之下移,当Li脱出时,需要更多的能量才能从低能量的O-2p能带上获得电子,因而体系能够获得较高的嵌入电压.     

Middle-high latitude N2O distributions related to the Arctic vortex breakup

The relationship of N2O distributions with the Arctic vortex breakup is first analyzed with a probability distribution function （PDF） analysis. The N2O concentration shows different distributions between the early and late vortex breakup years. In the early breakup years, the N2O concentration shows low values and large dispersions after the vortex breakup, which is related to the inhomogeneity in the vertical advection in the middle and high latitude lower stratosphere. The horizontal diffusion coefficient （Kyy） shows a larger value accordingly. In the late breakup years, the N2O concentration shows high values and more uniform distributions than in the early years after the vortex breakup, with a smaller vertical advection and Kyy after the vortex breakup. It is found that the N2O distributions are largely affected by the Arctic vortex breakup time but the dynamically defined vortex breakup time is not the only factor.     

Synthesis of Pb-Feldspar by Ion Exchange Reaction and Its Implications

Feldspar and Pb（NO3）2 were mixed and reacted at T=380℃ to synthesize Pb-feldspar. In the XRD （X-ray diffraction） pattern of the product, the d values （crystal lattice spacing） of the five peaks are 0.654, 0.342, 0.332, 0.327 and 0.257 nm. The XPS analysis results show that the binding energy of Pb 4f（7/2） in the feldspar was between 137.81-138.03 eV. Pb^2＋ can replace alkali and alkali earth cations in the feldspar structure through ion exchange reaction to form Pb-feldspar.     

Effects of pulsed nutrient inputs on phytoplankton assemblage structure and blooms in an enclosed coastal area

The response of phytoplankton assemblage structure to terrestrial nutrient inputs was examined for the Gulf of Kalloni in the Northern Aegean Sea, a productive semi-enclosed coastal marine ecosystem. The study was focused on a typical annual cycle, and emphasis was placed on the comparative analysis between blooms developing after significant nutrient inputs from the watershed, and naturally occurring blooms. Baseline information was collected on a monthly basis from a network of stations located in the oligotrophic open sea and the interior and more productive part of the embayment. Intensive sampling was also carried out along a gradient in the vicinity of a river which was the most important source of freshwater and nutrient input for the Gulf. Phytoplankton assemblage structure was analyzed from 188 samples using diversity indices (Shannon and Average Taxonomic Distinctness), multivariate plotting methods (NMDS), multivariate statistics (PERMANOVA), and canonical correspondence analysis (CCA). Three characteristic assemblages were recognized: (1) an autumn assemblage developed under nutrient depleted conditions, having low diversity due to the dominance of two small diatoms, (2) a winter bloom of the potentially toxic species Pseudo-nitzschia calliantha occurring immediately after a nutrient peak and characterized by very low diversity, and (3) a naturally occurring early summer bloom of centric diatoms with relatively high diversity. The results of the study support the view that moderate nutrient inputs may have a beneficial effect on the functioning of coastal ecosystems, stimulating the taxonomic diversity through the growth of different taxonomic groups and taxa. On the other hand, a sudden pulse of high nutrient concentrations may greatly affect the natural succession of organisms, have a negative effect on the diversity through the dominance of a single species, and can increase the possibility of a harmful algal bloom development.     

Interactions between sediment chemistry and frenulate pogonophores (Annelida) in the north-east Atlantic

The small frenulate pogonophores (Annelida: Pogonophora a.k.a. Siboglinidae) typically inhabit muddy sediments on the continental slope, although a few species occur near hydrothermal vents and cold seeps. We present data on the distribution and habitat characteristics of several species on the European continental shelf and slope from 48°N to 75°N and show how the animals interact with the chemistry of the sediments. The environments inhabited include: shallow (30 m), organic-rich, fjord sediments; slope sediments (1000–2200 m) and methane seeps at 330 m depth. All the species studied obtain nutrition from endosymbiotic bacteria. They take up reduced sulphur species, or in one case, methane, through the posterior parts of their tubes buried in the anoxic sediment. We conclude that most species undertake sulphide ‘mining’, a mechanism previously demonstrated in the bivalves Lucinoma borealis and Thyasira sarsi. These pogonophores participate in the sulphur cycle and effectively lower the sulphide content of the sediments. Our results show that the abundance of frenulate pogonophores increases with increasing sedimentation and with decreasing abundance of other benthos, particularly bioturbating organisms. The maximum sustainable carrying capacity of non-seep sediments for frenulate pogonophores is limited by the rate of sulphate reduction.     

Food web structure of two Mediterranean lagoons under varying degree of eutrophication

The food web structure and functioning of two north-western Mediterranean lagoons exhibiting contrasting degrees of eutrophication and marine influences were compared through δ¹³C and δ¹⁵N analysis of major potential food sources and consumers. The Lapalme Lagoon is well preserved and has kept a natural and temporary connection with the open sea. Conversely, the Canet Lagoon is heavily eutrophicated and its water exchange with the open sea has been artificially reduced. In Lapalme, all potential food sources and consumers exhibited δ¹⁵N values indicative of pristine coastal areas. Suspended particulate organic matter (POM) and sediment organic matter (SOM) pools seemed to constitute the main food sources of most primary consumers. Both primary producers and all consumers were much more ¹⁵N-enriched (by  10‰) and more ¹³C-depleted in Canet than in Lapalme. This reflected: (1) the assimilation of important amounts of anthropogenic nitrogen in the food web, and (2) a marked and uniform influence of ¹³C-depleted allochtonous sources of carbon. Based on the mean δ¹⁵N of primary consumers, we found rather similar food web lengths in both lagoons with top consumers at trophic levels 3.6 and 4.0 in Canet and Lapalme, respectively. However, the eutrophication of the Canet Lagoon resulted in a simplification of the food web structure (i.e., a single trophic pathway from a ¹⁵N-enriched fraction of the SOM pool to top predators) compared to what was observed in Lapalme Lagoon where additional ¹³C-enriched food sources played a significant trophic role. Moreover, some consumers of Canet tended to exploit primary producers to a larger extent (and thus to exhibit lower trophic levels) than in Lapalme.     

Stable isotope ratios in Cape gannets around the southern coasts of Africa reveal penetration of biogeographic patterns in oceanic signatures

The southern coasts of Africa are influenced by two major oceanic currents, leading to biogeographic patterns in inshore and offshore species assemblages, and in the stable isotope signatures of suspended particulate matter and filter-feeding mussels. We used the stable isotope ratios of carbon (¹³C/¹²C) and nitrogen (¹⁵N/¹⁴N) from the blood and feathers of adult and chick Cape gannets (Morus capensis) to investigate whether the geographic differences observed at the lower levels in the marine communities are deep penetrating effects that reach top predators. Additionally, we evaluated whether trophic segregation occurs between adult and reared chick gannets, and whether a shift to wintering habitat occurs in adults. The study was conducted during the 2006 breeding season on Bird Island in the Agulhas system, and on Malgas and Ichaboe Islands, in the south and north Benguela respectively. Our results showed significant differences in the isotope ratios of members of different colonies, but no intra-colony differences between tissues or age groups. These results indicate that there is neither age-related nor temporal segregation in the diet of members of the same colony. Feather isotopic values suggest that adults remain all year round in the same habitats, and do not undertake long migration after reproduction. Since all gannets tend to target similar prey, we attributed among-colony differences in isotope signatures mostly to the oceanic conditions experienced by the main prey of birds rather than substantial differences in diet composition. Overall, isotopic signatures segregate the two current systems, with depleted carbon values in the Agulhas and enriched nitrogen values in the upwelled waters of the Benguela. Within the Benguela birds from Ichaboe in the north had higher δ¹⁵N values than those from Malgas in the south, which we attributed to differences in the functioning of the upwelling cells in the vicinity of the two colonies. Finally, slight variation in the proportion of main prey and discards from fisheries may contribute to the variation in the stable-isotope signatures between colonies in the Benguela.     

能效渔业状态下津市西湖生态因子与浮游植物密度的灰关联模型{GM(I,N)}

利用灰色系统理论,于2004—2008年5—8月份对能效渔业状态下津市西湖水质状况进行了实时采样研究,并计算了浮游植物密度与透明度、水温、水深、溶解氧、pH、NH4-N、NO3-N、NO2-N、PO4-P、TP、TN、NH4-N/PO4-P、TN/TP和浮游动物共14个生态因子的关联度、关联序。结果表明,透明度、水温、水深、溶解氧、pH和浮游动物(毛里湖)或TN(西湖)是影响浮游植物增殖态势的最重要的环境变量。提取如上变量和浮游植物密度作为建模要素,构建了津市西湖生态因子与浮游植物密度的灰关联模型{GM(I,N)},经作图分析表明,模型值和实测值具有较好的对应峰,表明模型的有效性及在预测上有较高的参考价值。P元素在西湖的营养限制性基本得到消除,水体N/P比被调控到了较好状态。     

南海 18°N 断面 上的体积和热盐输运

以2005—2008年4年中南海北部开放航次所获得的水文观测资料为基础,结合卫星高度计遥感资料,采用动力计算方法计算南海18°N断面的经向地转流,并与声学多普勒流速剖面仪(Acoustic Doppler Current Profilers,ADCP)走航观测资料进行对比,进而计算出通过南海18°N断面1000m以浅的各站位以及断面上总的经向地转体积、热、盐输运量。结果表明,2005—2008年南海北部开放航次期间18°N断面上的经向地转流呈相间带状分布,各站位经向地转流流速垂向分布和ADCP观测的大体一致。从卫星高度计获得的海面高度场可知,经向地转流流向的空间变化与海洋中尺度涡旋的活动密切相关。2005—2007年航次期间南海18°N断面上1000m以浅总的经向地转体积、热、盐输运均为南向输运,其3年的平均输运量分别为11.8Sv(1Sv=106m3.s 1)、0.38PW、418.8Gg.s 1;其年际间差别较大,经向地转体积、热、盐输运量均为2005年最大,2006年次之,2007年最小。2008年110°—117°E之间1000m以浅总的海水地转体积、热、盐输运量分别为7.3Sv、0.22PW、259.4Gg.s 1。