969 resultados para Correlation energy


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We used fifteen years (1993-2007) of altimetric data, combined from different missions (ERS-1/2, TOPEX/Poseidon, Jason-1, and Envisat), to analyze the variability of the eddy kinetic energy (EKE) in the South China Sea (SCS). We found that the EKE ranged from 64 cm(2)/s(2) to 1 390 cm(2)/s(2) with a mean value of 314 cm(2)/s(2). The highest EKE center was observed to the east of Vietnam (with a mean value of 509 cm(2)/s(2)) and the second highest EKE region was located to the southwest of Taiwan Island (with a mean value of 319 cm(2)/s(2)). We also found that the EKE structure is the consequence of the superposition of different variability components. First, interannual variability is important in the SCS. Spectral analysis of the EKE interannual signal (IA-EKE) shows that the main periodicities of the IA-EKE to the east of Vietnam, to the southwest of Taiwan Island, and in the SCS are 3.75, 1.87, and 3.75 years, respectively. It is to the south of Taiwan Island that the IA-EKE signal has the most obvious impact on EKE variability. In addition, the IA-EKE exhibit different trends in different regions. An obvious positive trend is observed along the east coast of Vietnam, while a negative trend is found to the southwest of Taiwan Island and in the east basin of Vietnam. Correlation analysis shows that the IA-EKE has an obvious negative correlation with the SSTA in Nio3 (5A degrees S-5A degrees N, 90A degrees W-150A degrees W). El Nio-Southern Oscillation (ENSO) affects the IA-EKE variability in the SCS through an atmospheric bridge-wind stress curl over the SCS. Second, the seasonal cycle is the most obvious timescale affecting EKE variability. The locations of the most remarkable EKE seasonal variabilities in the SCS are to the east of Vietnam, to the southwest of Taiwan, and to the west of Philippines. To the east of Vietnam, the seasonal cycle is the dominant mechanism controlling EKE variability, which is attributed primarily to the annual cycle there of wind stress curl. In this area, the maximum EKE is observed in autumn. To the southwest of Taiwan Island, the EKE is enlarged by the stronger SCS circulation, which is caused by the intrusion branch from the Kuroshio in winter. Finally, intra-annual and mesoscale variability, although less important than the former, cannot be neglected. The most obvious intra-annual and mesoscale variability, which may be the result of baroclinic instability of the background flow, are observed to the southwest of Taiwan Island. Sporadic events can have an important effect on EKE variability.

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In situ IR measurements for CO adsorption and preferential CO oxidation in H-2-rich gases over Ag/SiO2 catalysts are presented in this paper. CO adsorbed on the Ag/SiO2 pretreated with oxygen shows a band centered around 2169 cm(-1), which is assigned to CO linearly bonded to Ag+ sites. The amount of adsorbed CO on the silver particles ( manifested by an IR band at 2169 cm(-1)) depends strongly on the CO partial pressure and the temperature. The steady-state coverage on the Ag surface is shown to be significantly below saturation, and the oxidation of CO with surface oxygen species is probably via a non-competitive Langmuir Hinshelwood mechanism on the silver catalyst which occurs in the high-rate branch on a surface covered with CO below saturation. A low reactant concentration on the Ag surface indicates that the reaction order with respect to Pco is positive, and the selectivity towards CO2 decreases with the decrease of Pco. On the other hand, the decrease of the selectivity with the reaction temperature also reflects the higher apparent activation energy for H-2 oxidation than that for CO oxidation.

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Wind energy is the energy source that contributes most to the renewable energy mix of European countries. While there are good wind resources throughout Europe, the intermittency of the wind represents a major problem for the deployment of wind energy into the electricity networks. To ensure grid security a Transmission System Operator needs today for each kilowatt of wind energy either an equal amount of spinning reserve or a forecasting system that can predict the amount of energy that will be produced from wind over a period of 1 to 48 hours. In the range from 5m/s to 15m/s a wind turbine’s production increases with a power of three. For this reason, a Transmission System Operator requires an accuracy for wind speed forecasts of 1m/s in this wind speed range. Forecasting wind energy with a numerical weather prediction model in this context builds the background of this work. The author’s goal was to present a pragmatic solution to this specific problem in the ”real world”. This work therefore has to be seen in a technical context and hence does not provide nor intends to provide a general overview of the benefits and drawbacks of wind energy as a renewable energy source. In the first part of this work the accuracy requirements of the energy sector for wind speed predictions from numerical weather prediction models are described and analysed. A unique set of numerical experiments has been carried out in collaboration with the Danish Meteorological Institute to investigate the forecast quality of an operational numerical weather prediction model for this purpose. The results of this investigation revealed that the accuracy requirements for wind speed and wind power forecasts from today’s numerical weather prediction models can only be met at certain times. This means that the uncertainty of the forecast quality becomes a parameter that is as important as the wind speed and wind power itself. To quantify the uncertainty of a forecast valid for tomorrow requires an ensemble of forecasts. In the second part of this work such an ensemble of forecasts was designed and verified for its ability to quantify the forecast error. This was accomplished by correlating the measured error and the forecasted uncertainty on area integrated wind speed and wind power in Denmark and Ireland. A correlation of 93% was achieved in these areas. This method cannot solve the accuracy requirements of the energy sector. By knowing the uncertainty of the forecasts, the focus can however be put on the accuracy requirements at times when it is possible to accurately predict the weather. Thus, this result presents a major step forward in making wind energy a compatible energy source in the future.

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We propose a novel data-delivery method for delay-sensitive traffic that significantly reduces the energy consumption in wireless sensor networks without reducing the number of packets that meet end-to-end real-time deadlines. The proposed method, referred to as SensiQoS, leverages the spatial and temporal correlation between the data generated by events in a sensor network and realizes energy savings through application-specific in-network aggregation of the data. SensiQoS maximizes energy savings by adaptively waiting for packets from upstream nodes to perform in-network processing without missing the real-time deadline for the data packets. SensiQoS is a distributed packet scheduling scheme, where nodes make localized decisions on when to schedule a packet for transmission to meet its end-to-end real-time deadline and to which neighbor they should forward the packet to save energy. We also present a localized algorithm for nodes to adapt to network traffic to maximize energy savings in the network. Simulation results show that SensiQoS improves the energy savings in sensor networks where events are sensed by multiple nodes, and spatial and/or temporal correlation exists among the data packets. Energy savings due to SensiQoS increase with increase in the density of the sensor nodes and the size of the sensed events. © 2010 Harshavardhan Sabbineni and Krishnendu Chakrabarty.

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Accurate ab initio intermolecular potential energy surfaces (IPES) have been obtained for the first time for the ground electronic state of the C 2H2-Kr and C2H2-Xe van der Waals complexes. Extensive tests, including complete basis set and all-electron scalar relativistic results, support their calculation at the CCSD(T) level of theory, using small-core relativistic pseudopotentials for the rare-gas atoms and aug-cc-pVQZ basis sets extended with a set of 3s3p2d1f1g mid-bond functions. All results are corrected for the basis set superposition error. The importance of the scalar relativistic and rare-gas outer-core (n.1)d correlation effects is investigated. The calculated IPES, adjusted to analytical functions, are characterized by global minima corresponding to skew T-shaped geometries, in which the Jacobi vector positioning the rare-gas atom with respect to the center of mass of the C2H2 moiety corresponds to distances of 4.064 and 4.229Å, and angles of 65.22° and 68.67° for C 2H2-Kr and C2H2-Xe, respectively. The interaction energy of both complexes is estimated to be -151.88 (1.817 kJ mol-1) and -182.76 cm-1 (2.186 kJ mol-1), respectively. The evolution of the topology of the IPES as a function of the rare-gas atom, from He to Xe, is also discussed. © 2012 Taylor and Francis.

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Winter is energetically challenging for small herbivores because of greater energy requirements for thermogenesis at a time when little energy is available. We formulated a model predicting optimal wintering body size, accounting for the scaling of both energy expenditure and assimilation to body size, and the trade-off between survival benefits of a large size and avoiding survival costs of foraging. The model predicts that if the energy cost of maintaining a given body mass differs between environments, animals should be smaller in the more demanding environments, and there should be a negative correlation between body mass and daily energy expenditure (DEE) across environments. In contrast, if animals adjust their energy intake according to variation in survival costs of foraging, there should be a positive correlation between body mass and DEE. Decreasing temperature always increases equilibrium DEE, but optimal body mass may either increase or decrease in colder climates depending on the exact effects of temperature on mass-specific survival and energy demands. Measuring DEE with doubly labeled water on wintering Microtus agrestis at four field sites, we found that DEE was highest at the sites where voles were smallest despite a positive correlation between DEE and body mass within sites. This suggests that variation in wintering body mass between sites was due to variation in food quality/availability and not adjustments in foraging activity to varying risks of predation.

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Resting metabolic rates at thermoneutral (RMRts) are unexpectedly variable. One explanation is that high RMRts intrinsically potentiate a greater total daily energy expenditure (DEE), but recent work has suggested that DEE is extrinsically defined by the environment, which independently affects RMRt. This extrinsic effect could occur because expenditure is forced upwards in poor habitats or enabled to rise in good habitats. We provide here an intraspecific test for an association between RMRt and DEE that separates intrinsic from extrinsic effects and forcing from enabling effects. We measured the DEE and RMRt of 75 free-living short-tailed field voles at two time points in late winter. Across all sites, there was a positive link between individual variation in RMRt and DEE. This correlation, however, emerged only because of an effect across sites, rather than because of an intrinsic association within sites. We defined site quality from the survivorship of voles at the sites and the time at which they commenced breeding in spring. The associations between DEE/RMRt and site quality suggested that in February voles in poorer sites had higher energy demands, indicating that DEE was forced upwards, but in March the opposite was true, with higher demands in good sites, indicating that high expenditure was enabled. These data show that daily energy demands are extrinsically defined, with a link to RMRt that is secondary or independent. Both forcing and enabling effects of the environment may pertain at different times of year.

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An artificial neural network (ANN) model is developed for the analysis and simulation of the correlation between the properties of maraging steels and composition, processing and working conditions. The input parameters of the model consist of alloy composition, processing parameters (including cold deformation degree, ageing temperature, and ageing time), and working temperature. The outputs of the ANN model include property parameters namely: ultimate tensile strength, yield strength, elongation, reduction in area, hardness, notched tensile strength, Charpy impact energy, fracture toughness, and martensitic transformation start temperature. Good performance of the ANN model is achieved. The model can be used to calculate properties of maraging steels as functions of alloy composition, processing parameters, and working condition. The combined influence of Co and Mo on the properties of maraging steels is simulated using the model. The results are in agreement with experimental data. Explanation of the calculated results from the metallurgical point of view is attempted. The model can be used as a guide for further alloy development.

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An understanding of surface hydrogenation reactivity is a prevailing issue in chemistry and vital to the rational design of future catalysts. In this density-functional theory study, we address hydrogenation reactivity by examining the reaction pathways for N+H -> NH and NH+H -> NH2 over the close-packed surfaces of the 4d transition metals from Zr-Pd. It is found that the minimum-energy reaction pathway is dictated by the ease with which H can relocate between hollow-site and top-site adsorption geometries. A transition state where H is close to a top site reduces the instability associated with bond sharing of metal atoms by H and N (NH) (bonding competition). However, if the energy difference between hollow-site and top-site adsorption energies (Delta E-H) is large this type of transition state is unfavorable. Thus we have determined that hydrogenation reactivity is primarily controlled by the potential-energy surface of H on the metal, which is approximated by Delta E-H, and that the strength of N (NH) chemisorption energy is of less importance. Delta E-H has also enabled us to make predictions regarding the structure sensitivity of these reactions. Furthermore, we have found that the degree of bonding competition at the transition state is responsible for the trend in reaction barriers (E-a) across the transition series. When this effect is quantified a very good linear correlation is found with E-a. In addition, we find that when considering a particular type of reaction pathway, a good linear correlation is found between the destabilizing effects of bonding competition at the transition state and the strength of the forming N-H (HN-H) bond. (c) 2006 American Institute of Physics.

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Ab initio calculations for the strongly exoergic Li2+F harpoon reaction are presented using density-functional theory, complete active space self-consistent field, and multireference configuration interaction methods to argue that this reaction would be an ideal candidate for investigation with ultracold molecules. The lowest six states are calculated with the aug-correlation-consistent polarized valence triple-zeta basis set and at least two can be accessed by a ground rovibronic Li2 molecule with zero collision energy at all reaction geometries. The large reactive cross section (characteristic of harpoon reactions) and chemiluminescent products are additional attractive features of these reactions.

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A simple linear precoding technique is proposed for multiple input multiple output (MIMO) broadcast systems using phase shift keying (PSK) modulation. The proposed technique is based on the fact that, on an instantaneous basis, the interference between spatial links in a MIMO system can be constructive and can contribute to the power of the useful signal to improve the performance of signal detection. In MIMO downlinks this co-channel interference (CCI) can be predicted and characterised prior to transmission. Contrary to common practice where knowledge of the interference is used to eliminate it, the main idea proposed here is to use this knowledge to influence the interference and benefit from it, thus gaining advantage from energy already existing in the communication system that is left unexploited otherwise. The proposed precoding aims at adaptively rotating, rather than zeroing, the correlation between the MIMO substreams depending on the transmitted data, so that the signal of interfering transmissions is aligned to the signal of interest at each receive antenna. By doing so, the CCI is always kept constructive and the received signal to interference-plus-noise ratio (SINR) delivered to the mobile units (MUs) is enhanced without the need to invest additional signal power per transmitted symbol at the MIMO base station (BS). It is shown by means of theoretical analysis and simulations that the proposed MIMO precoding technique offers significant performance and throughput gains compared to its conventional counterparts.

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Electron energy probability functions measured with a passively compensated Langmuir probe in asymmetric capacitively coupled hydrogen and deuterium plasmas exhibit structure. The otherwise relatively continuous distribution appears to have an abrupt peak in electron density near 5 eV. This structure occurs at a higher energy in deuterium than hydrogen and there is a correlation between floating potential and the voltage at which the structure is observed in the second derivative of the I(V) characteristic. While the cause of the structure has yet to be clarified, spectroscopic observations and computer-based hydrogen models indicate that the high energy tail of the distribution is strongly modulated during the radio frequency cycle. The effect of this modulation on plasma properties and probe measurements has yet to be explored. (C) 1999 American Institute of Physics. [S0003-6951(99)00819-0].

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CCAAT enhancer binding protein α (C/EBPα) plays an essential role in cellular differentiation, growth, and energy metabolism. Here, we investigate the correlation between C/EBPα and hepatocellular carcinoma (HCC) patient outcomes and how C/EBPα protects cells against energy starvation. Expression of C/EBPα protein was increased in the majority of HCCs examined (191 pairs) compared with adjacent nontumor liver tissues in HCC tissue microarrays. Its upregulation was correlated significantly with poorer overall patient survival in both Kaplan-Meier survival (P = 0.017) and multivariate Cox regression (P = 0.028) analyses. Stable C/EBPα-silenced cells failed to establish xenograft tumors in nude mice due to extensive necrosis, consistent with increased necrosis in human C/EBPα-deficient HCC nodules. Expression of C/EBPα protected HCC cells in vitro from glucose and glutamine starvation-induced cell death through autophagy-involved lipid catabolism. Firstly, C/EBPα promoted lipid catabolism during starvation, while inhibition of fatty acid beta-oxidation significantly sensitized cell death. Secondly, autophagy was activated in C/EBPα-expressing cells, and the inhibition of autophagy by ATG7 knockdown or chloroquine treatment attenuated lipid catabolism and subsequently sensitized cell death. Finally, we identified TMEM166 as a key player in C/EBPα-mediated autophagy induction and protection against starvation.

CONCLUSION: The C/EBPα gene is important in that it links HCC carcinogenesis to autophagy-mediated lipid metabolism and resistance to energy starvation; its expression in HCC predicts poorer patient prognosis.

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Selectivity is a fundamental issue in heterogeneous catalysis. In this study, the CH(4) selectivity in Fischer-Tropsch synthesis is chosen to be investigated: CH4 selectivity on Rh, Co, Ru, Fe, and Re surfaces is computed by first-principles methods. In conjunction with kinetic analyses, we are able to derive the effective barrier difference between methane formation and chain growth (Delta E(eff)) to quantify the CH(4) selectivity. By using this energy descriptor, the ranking of methane selectivity predicted from density functional theory (DFT) calculations is consistent with experimental work. Moreover, a linear correlation between Delta E(eff) and the chemisorption energy of C + 4H (Delta H) is found. This fundamental finding possesses the following significance: (i) it shows that the selectivity, which appears to have kinetic characteristics, is largely determined by thermodynamic properties; and (ii) it suggests that an increase of the binding strength of C + 4H will suppress methane selectivity.

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The ground state potential energy surface for CO chemisorption across Pd{110} has been calculated using density functional theory with gradient corrections at monolayer coverage. The most stable site corresponds well with the experimental adsorption heat, and it is found that the strength of binding to sites is in the following order: pseudo-short-bridge>atop>long-bridge>hollow. Pathways and transition states for CO surface diffusion, involving a correlation between translation and orientation, are proposed and discussed. (C) 1997 American Institute of Physics.