The equilibrium structure of the compound Li 2 O 2 has been obtained via minimization of the total energy within the local density approximation (LDA) based on density functional theory (DFT). The calculated lattice parameters are in excellent agreement with available values. The elastic properties of Li 2 O 2 are investigated. Values of all independent elastic constants (C 11 , C 12 , C 13 , C 33 and C 44 ) as well as bulk moduli in the a and c directions are predicted. Our calculated elastic properties suggest that the compound Li 2 O 2 is slightly anisotropic but can be considered as an isotropic material compared with other highly anisotropic materials. The electronic properties, including the density of states and energy band structure, are obtained and we find that this compound behaves as a semiconductor.
The equilibrium structure of the compound Na2Ti3O7 has been obtained via the minimization of the total energy within Local Density Approximation (LDA) based on Density Functional Theory (DFT), the calculated equilibrium volume are in agreement with available experimental value. In the meantime, the thermodynamic properties under high temperature and high pressure are investigated applying nonempirical Debye model combining with the first principle theory in the quasi‐harmonic approximation. The evaluated equilibrium volume using this model agrees with the value obtained from ab intio and from experiment. The results demonstrate that this method can provide reliable predictions for the temperature and pressure dependence of these quantities such as the equation of state (EOS), the entropy, the isothermal bulk modulus, the heat capacity, and the thermal expansion in detail. In addition, the calculated thermodynamic properties are all in agreement with available experimental data. (© 2008 WILEY‐VCH Verlag GmbH & Co. KGaA, Weinheim)
E-commerce conceivable future trade, consumption, and service is a new digital employer mode. Therefore, in order to decorate the customary natural environment of operation, it is quintessential to get rid of the preferred desktop in the true field, create a social logistics and transportation administration computing device with commodity agents and distributors as the key features, and mix freight logistics, business enterprise approach waft and data waft advertising and marketing, and advertising and marketing organically. The notion of e-commerce logistics looks alongside the enchantment vogue of neighborhood technological knowledge and social demand. It is an integral part of ending e-commerce authentic economic value. All kinds of cell networks clear up the problem of data flow communication; in the technological know-how of telephone network, digital cost solves the bother of capital flow; at present, logistics is however a long-standing problem of e-commerce. Logistics has grown to be the last and entirely bottleneck of e-commerce. If logistics cannot adapt to the enchantment of e-commerce, it may also additionally lead to the slow enchantment of e-commerce. The purpose of this paper is to supply an Internet of things (IoT) e-commerce logistics cloud provider platform based totally absolutely on cell communication, which can be combined with e-commerce and beautify the transport tempo of e-commerce. This paper moreover optimizes the e-commerce logistics system, so that it can combine with e-commerce to increase out the distribution of goods, the distribution tempo of e-commerce is doubled, and e-commerce can in a similar fashion develop rapidly.
The response of netizens toward controversial events plays an important guiding role in the development of events. Based on the identification of such responses, this study aimed to determine the critical outbreak time window of events. The microblog texts related to an event were divided into seven emotional categories via multi-emotional analysis to capture the subtle emotions of netizens toward an event, i.e., public opinion. By detecting the characteristics of the text and regional coverage of emotions, an emotional coverage index that reflects the intensity of emotional impact was proposed to determine the mainstream emotion of netizens. By capturing the mutation characteristics of the impact intensity of mainstream emotions, the critical time window of the public opinion toward the event was obtained. The experimental results demonstrated that the proposed method can effectively identify the critical outbreak time window of controversial events, which can help authorities in preventing the further aggravation of events.
Multi-source soil moisture (SM) products provide a vigorous tool for the estimation of soil moisture on a large scale, but it is crucial to carry out the evaluation of those products before further application. In the present work, an evaluation framework on multi-source SM datasets over central and eastern agricultural areas of China was firstly proposed, based on a dense in situ SM monitoring network of 838 stations from 11 July 2012 to 31 December 2017. Each station adopted the most accurate gravimetric method for measuring the actual soil moisture. The effects of land use types and wet–dry conditions on the performances of multi-source SM products were further analyzed. Most satellite/reanalysis SM products could capture the spatial–temporal changes in soil moisture, especially for ERA5 products that matched the closest to the station-measured SM; by contrast, those satellite products showed poor spatial–temporal performances. Such phenomenon was also quantitatively demonstrated by the four statistical metrics correlation coefficient (CC), p-value, bias and root mean squared error (RMSE) between the satellite/reanalysis SM products and the ground-observed SM series. Further, most satellite/reanalysis SM products had poor performances in Forestland and Grassland areas, with a lower CC and a larger positive bias and RMSE. Such overestimation on soil moisture is possibly influenced by the inestimable parameter vegetation geometry and the vegetation water content in the radiative transfer models. The arid areas showed the worst CC between the station-observed SM data and different satellite/reanalysis SM products; meanwhile, the humid and semi-arid areas presented larger SM estimation errors than the other areas, especially for the satellite products. The fairly dry surface soil (arid area) and open water surface contamination (humid area) are suggested to hinder the reading of microwave-based retrieval systems. Additionally, the reanalysis SM products outperformed the satellite SM products in the evaluated areas, with better spatial–temporal performances, seasonality reflection and higher accuracy on SM estimation (higher CC, and lower bias and RMSE). This is because the reanalysis datasets assimilated various sources of datasets, especially the ground-observed data, with high quality. The evaluated results could provide guidance for fusing different satellite/reanalysis products, as a new feasible alternative to monitoring SM information in the future.
The rheology of cement grouts often plays a crucial role in the success of rock grouting. In practice, the rheological parameters should be timely adjusted according to the evolution of grouting pressure, flow rate and injection time. However, obtaining the magnitude of rheological parameters is not easy to achieve under site conditions. More importantly, the ground temperature in deep rock masses is elevated higher than that on the surface or under room conditions, which has been demonstrated to strongly influence the rheological properties of grouts. Reasonable understanding and control of the rheological behavior of cement grouts at true ground temperatures is very important to the quality of grouting. This paper aims to propose a simplified method to approximately estimate the initial yield stress and viscosity of cement grouts for rock grouting under elevated ground temperature that actually exists in deep rock masses, on the basis of the flow spread test. The temperature investigated was controlled between 12 °C and 45 °C to simulate the true ground temperature in rock masses with a maximum depth of 1500 m below the surface. Taking the influences of elevated temperatures into account, a temperature-based model for estimating the initial viscosity of cement grout was successfully developed on the basis of Liu’s model and the results of the flow spread test. However, the yield stress failed to be estimated by the Lapasin model due to the absence of plastic behavior of cement grouts. In contrast, yield stress can be linearly correlated to the measured relative flow area. In this work, it was also found that the dependence of yield stress of cement grouts on relative flow area is a strongly exponential law. The temperature dependence of the viscosity of water was accounted for in both estimations of viscosity and yield stress of grouts. Significantly, it was found that the packing density of cement is dependent on the grout temperature, especially when the temperature is up to 45 °C. The proposed method in this work offers an alternative solution for technicians to reasonably control the rheological properties in the increasing applications of deep rock grouting.
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