Effect Of Water On Brittle Fracture Of Sio2 By Molecular Dynamics Study

The influence of water on the brittle behavior of beta-cristobalite is studied by means of molecular dynamics (MD) simulation With the TTAM potential. Crack extension of mode 1 type is observed as the crack opening is filled LIP With water. The critical stress intensity factor K-lc(MD) is used to characterize the crack extension of MD simulation. The surface energy of SiO2 covered with layers of water is calculated at temperature of 300 K. Based oil the Griffith fracture criterion, the critical stress intensity factor K-lc(Griffith) is calculated, and it is in good agreement with that of MD simulation. (C) 2008 Elsevier B.V. All rights reserved.

Population dynamics of the water mite Unionicola arcuata (Unionicolidae) in the freshwater bivalve Cristaria plicata (Unionidae) in Poyang Lake, eastern China

Population dynamics of the water mite Unionicola arcuata were investigated in the freshwater bivalve Cristaria plicata during the period from January to December 2002 in Poyang Lake, East China. A pattern of seasonal variation was observed, with prevalence and abundance peaking in early spring and autumn. The number of mites in individual hosts was significantly correlated with the size, but not with the sex, of bivalves. The change in infection level of mites on different infection sites in C. plicata was significant, with > 58% of the mites found on the outer and inner gills, indicating that U. arcuata shows site preference.

Benthic foraminiferal distribution in surface sediments along continental slope of the southern Okinawa Trough: dependance on water masses and food supply

Benthic foraminiferal analysis of 29 samples in surface sediments from the southern Okinawa Trough is carried out. The results indicate that benthic foraminiferal abundance decreases rapidly with increasing water depth. Percentage frequencies of agglutinated foraminifera further confirm the modem shallow carbonate lysocline in the southern Okinawa Trough. From continental shelf edge to the bottom of Okinawa Trough, benthic foraminiferal fauna in the surface sediments can be divided into 5 assemblages: (1) Continental shelf break assemblage, dominated by Cibicides pseudoungerianus, corresponds to subsurface water mass of the Kuroshio Current; (2) upper continental slope assemblage, dominated by Cassidulina carinata, Globocassidulina subglobosa, corresponds to intermediate water mass of the Kuroshio Current; (3) intermediate continental slope assemblage, dominated by Uvigerina hispida, corresponds to the Okinawa Trough deep water mass above the carbonate lysocline; (4), lower continental slope - trough bottom assemblage, dominated by Pullenia bulloides, Epistominella exigua and Cibicidoides hyalinus, corresponds to deep water mass of the Okinawa Trough; and (5) trough bottom agglutinated assemblage, dominated by Rhabdammina spp., Bathysiphon flavidus, corresponds to I strongly dissolved environment of the trough bottom. The benthic foraminiferal fauna in the southern Okinawa Trough are controlled jointly by water masses and food supply. Water temperature, oxygen concentration and carbonate dissolution of the water masses are important controlling factors especially for the continental shelf break and trough bottom assemblages. The food supply also plays an important role in these benthic foraminiferal assemblages along the western slope. of the Okinawa Trough. Both the abundance and the 5 assemblages of benthic foraminifera correspond well to the organic matter supply along the continental slope and a lateral transport of TSM (total suspended matter) and POC (particulate organic carbon) from the shelf break to the deep water is also an important food supply for benthic fauna in this region.

Origins and pathways of the subsurface and intermediate water masses of the Indonesian Throughflow derived from historical and Argo data

On the basis of Argo data and historic temperature/salinity data from the World Ocean Database 2001 (WOD01 origins and spreading pathways of the subsurface and intermediate water masses in the Indonesian Throughflow (ITF) region were discussed by analyzing distributions of salinity on representative isopycnal layers. Results were shown that, Subsurface water mostly comes from the North Pacific Ocean while the intermediate water originates from both the North and South Pacific Ocean, even possibly from the Indian Ocean. Spreading through tire Sulawesi Sea, the Makassar Strait, and the Flores Sea, the North Pacific subsurface water and the North Pacific Intermediate water dominate the western part of the Indonesian Archipelago. Furthermore its the depth increases, the features of the North Pacific sourced water masses become more obvious. In the eastern part of the waters, high salinity South Pacific subsurface water is blocked by a strong salinity front between Halmahera and New Guinea. Intermediate water in the eastern interior region owns salinity higher than the North Pacific intermediate water and the antarctic intermediate water (AAIW), possibly coming from the vertical mixing between subsurface water and the AAIW from the Pacific Ocean, and possibly coming front the northward extending of the AAIW front the Indian Ocean as well.

Dynamics of the cold-water event off the southeast coast of the United States in the summer of 2003

The cold-water event along the southeast coast of the United States in the summer of 2003 is studied using satellite data combined with in situ observations. The analysis suggests that the cooling is produced by wind-driven coastal upwelling, which breaks the thermocline barrier in the summer of 2003. The strong and persistent southwesterly winds in the summer of 2003 play an important role of lifting the bottom isotherms up to the surface and away from the coast, generating persistent surface cooling in July-August 2003. Once the thermocline barrier is broken, the stratification in the nearshore region is weakened substantially, allowing further coastal cooling of large magnitudes by episodic southerly wind bursts or passage of coastally trapped waves at periods of a few days. These short-period winds or waves would otherwise have no effects on the surface temperature because of the strong thermocline barrier in summer if not for the low-frequency cooling produced by the persistent southwesterly winds.

Autumn net copepod abundance and assemblages in relation to water masses on the continental shelf of the Yellow Sea and East China Sea

Copepod species diversity, abundance and assemblages in relation to water masses over the continental shelf of the Yellow Sea (YS) and East China Sea (ECS) were studied extensively based on the net plankton samples in autumn 2000. Multivariate analysis based on copepod assemblage resulted in recognition of five groups (Groups 1-5) corresponding to the water masses. Groups 1 and 2 delineated from inshore stations with low salinity YS Surface Water, and offshore stations with YS Cold Water in the YS. Group 3 located in the joint area of YS and ECS mainly with Mixed Water. Groups 4 and 5 in the ECS delineated two assemblages mainly from inshore and shallow stations with ECS Mixed Water in the southeastern ECS, and offshore stations along the ECS shelf edge controlled by saline Kuroshio Water. Salinity and temperature were more important in characterizing copepod assemblage of the continental shelf than chlorophyll a. (c) 2005 Elsevier B.V. All rights reserved.

Transport Properties And Induced Voltage In The Structure Of Water-Filled Single-Walled Boron-Nitrogen Nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration, the diffusion coefficient, the dipole orientation, and the density distribution, and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore, this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Transport properties and induced voltage in the structure of water-filled single-walled boron-nitrogen nanotubes

Density functional theory/molecular dynamics simulations were employed to give insights into the mechanism of voltage generation based on a water-filled single-walled boron-nitrogen nanotube (SWBNNT). Our calculations showed that (1) the transport properties of confined water in a SWBNNT are different from those of bulk water in view of configuration the diffusion coefficient the dipole orientation and the density distribution and (2) a voltage difference of several millivolts would generate between the two ends of a SWBNNT due to interactions between the water dipole chains and charge carriers in the tube. Therefore this structure of a water-filled SWBNNT can be a promising candidate for a synthetic nanoscale power cell as well as a practical nanopower harvesting device.

Dynamics of RNA with A6 bulge loop

In order to understand the behavior of RNAs with large bulges In solution, molecular dynamics was performed on the RNA molecule in water with A6 bulge. The result of simulation showed that nonstacked conformation Is the main conformation in large bulges, and the backbone of large bulge is of great conformational flexibility, but bulges-induced bends are relatively rigid. The fluctuation in bulge has little influence on the bend angle of RNAs.

Prediction and elucidation of the population dynamics of Microcystis spp. in Lake Dianchi (China) by means of artificial neural networks

Lake Dianchi is a shallow and turbid lake, located in Southwest China. Since 1985, Lake Dianchi has experienced severe cyanabacterial blooms (dominated by Microcystis spp.). In extreme cases, the algal cell densities have exceeded three billion cells per liter. To predict and elucidate the population dynamics ofMicrocystis spp. in Lake Dianchi, a neural network based model was developed. The correlation coefficient (R 2) between the predicted algal concentrations by the model and the observed values was 0.911. Sensitivity analysis was performed to clarify the algal dynamics to the changes of environmental factors. The results of a sensitivity analysis of the neural network model suggested that small increases in pH could cause significantly reduced algal abundance. Further investigations on raw data showed that the response of Microcystis spp. concentration to pH increase was dependent on algal biomass and pH level. When Microcystis spp. population and pH were moderate or low, the response of Microcystis spp. population would be more likely to be positive in Lake Dianchi; contrarily, Microcystis spp. population in Lake Dianchi would be more likely to show negative response to pH increase when Microcystis spp. population and pH were high. The paper concluded that the extremely high concentration of algal population and high pH could explain the distinctive response of Microcystis spp. population to +1 SD (standard deviation) pH increase in Lake Dianchi. And the paper also elucidated the algal dynamics to changes of other environmental factors. One SD increase of water temperature (WT) had strongest positive relationship with Microcystis spp. biomass. Chemical oxygen demand (COD) and total phosphorus (TP) had strong positive effect on Microcystis spp. abundance while total nitrogen (TN), biological oxygen demand in five days (BOD5), and dissolved oxygen had only weak relationship with Microcystis spp. concentration. And transparency (Tr) had moderate positive relationship with Microcystis spp. concentration.

Daily dynamics of nutrients and chlorophyll a during a spring phytoplankton bloom in Xiangxi Bay of the Three Gorges Reservoir

We studied the daily dynamics of nutrients (total phosphorus [TP], total nitrogen [TN], and dissolved silicate [SiO2]) and chlorophyll a (chl a) during a spring bloom in Xiangxi Bay of the Three Gorges Reservoir in year 2005. According to the daily dynamics of chl a, the bloom occurred in two stages (23 February-25 March and 26 March-28 April). The concentration of SiO2 decreased at different layers of the water column with the development of the bloom. However, the decrease of SiO2 in the layers with high concentration of chl a was more dramatic than in the layers with low concentration of chl a. The concentration of TP was lowest value a few days after the peak of chl a during the first bloom period, and the lowest value of TN was found a few days after the peak of chl a during the second bloom period. Correlative analyses indicated that SiO2 and TP were limiting factors in the first bloom period, and SiO2 and TN were limiting factors in the second bloom period.

Seasonal dynamics of the hepatotoxic microcystins in various organs of four freshwater bivalves from the large eutrophic Lake Taihu of subtropical China and the risk to human consumption

So far, little is known on the distribution of hepatotoxic microcystin (MC) in various organs of bivalves, and there is no study on MC accumulation in bivalves from Chinese waters. Distribution pattern and seasonal dynamics of MC-LR, -YR and -RR in various organs (hepatopancreas, intestine, visceral mass, gill, foot, and rest) of four edible freshwater mussels (Anodonta woodiana, Hyriopsis cumingii, Cristaria plicata, and Lamprotula leai) were studied monthly during Oct. 2003-Sep. 2004 in Lake Taihu with toxic cyanobacterial blooms in the summer. Qualitative and quantitative determinations of MCs in the organs were done by LC-MS and HPLC. The major toxins were present in the hepatopancreas (45.5-55.4%), followed by visceral mass with substantial amount of gonad (27.6-35.5%), whereas gill and foot were the least (1.8-5.1%). The maximum MC contents in the hepatopancreas, intestine, visceral mass, gill, foot, and rest were 38.48, 20.65, 1.70, 0.64, 0.58, and 0.61 mu g/g DW, respectively. There were rather good positive correlation in MC contents between intestines and hepatopancreas of the four bivalves (r = 0.75-0.97, p < 0.05). There appeared to be positive correlations between the maximum MC content in the hepatopancreas and the delta(13)C (r = 0.919) or delta(15)N (r = 0.878) of the foot, indicating that the different MC content in the hepatopancreas might be due to different food ingestion. A glutathione (GSH) conjugate of MC-LR was also detected in the foot sample of C. plicata. Among the foot samples analyzed, 54% were above the provisional WHO tolerable daily intake (TDI) level, and the mean daily intakes from the four bivalves were 8-23.5 times the TDI value when the bivalves are eaten as a whole, suggesting the high risk of consuming bivalves in Lake Taihu. (C) 2005 Wiley Periodicals, Inc.

Photodegradation dynamics of pure microcystin variants with illumination of fixed wavelength UV-lights

Photolysis of microcystins by UV irradiation and the effects of different environmental factors on efficiency of UV degradation were studied. The results indicated that the rates of the photolytical degradation reactions of microcystin-LR and RR-follow pseudo-first-order kinetic process. The results also showed that the concentrations of two microcystin variants decreased significantly by UV-C Irradiation; the wavelength and intensitiy of UV irradiation are two very important factors affecting the rate of degradation; temperature and pH value could also affect the half life of degradation rates. When irradiated by weaker UV-Iight, isomerization could be detected in the course of photolytical degradation. The concentrations of two isomers transformed from microcystin-LR reached its maximum at the third minute and decreased with the time afterwards. To simulate photolysis of microcystins in the field water body, microcystins with low concentration were used. It was found that UV-C illumination was capable of decomposing over 95% of microcystins within 40 min. In the presence of humic substances the photodecomposition slowed down to a certain extent. These results are valuable in using UV irradiation for elimination microcystins from raw water.

Long-term (1956-1999) dynamics of phosphorus in a shallow, subtropical Chinese lake with the possible effects of cyanobacterial blooms

This paper describes the long-term dynamics of phosphorus concentrations in both the lake water and the sediment in a subtropical Chinese lake, Lake Donghu. The total phosphorus (TP) concentration in the lake water experienced an upward trend from the 1950s, and peaked in 1983/1984, but declined obviously afterwards. From the 1950s to the 1990s, TP content in the upper 10 cm sediment of the lake increased steadily from 0.307 to 1.68 mg Pg DW-1 at Station I and from 0.151 to 0.89 mg Pg DW-1 at Station II, respectively. The TP increase in the lake water before mid-1980s was mainly attributed to the massive input of sewage P. The outbreak of cyanobacterial blooms coincided with the peaks of TP and Orthophosphate (PO4-P) in the water in mid-1980s, and the maximum TP of the water reached as high as 1.349 mg/1 at Station I and 0.757 mg/l at Station II (in 1984), respectively. The declines of TP and PO4-P in the water after mid-1980s was coincident with the disappearance of cyanobacterial bloom. (C) 2001 Elsevier Science Ltd. All rights reserved.