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The structural, elastic, and thermodynamic properties of ZnGeP2 with chalcopyrite structure are investigated using the pseudo-potentials plane wave method based on the density functional theory with the generalized gradient approximation. The lattice parameters (a, c and u) are directly calculated and agree well with previous experimental and theoretical results. The obtained negative formation enthalpy shows that ZnGeP2 crystal has strong structural stability. We have also calculated the bulk modulus B and the elastic parameters (C11, C12, C13, C33, C44, and C66) which have not been measured yet. The accuracy and reliability of the calculated elastic constants of ZnGeP2 crystal are discussed. In addition, the pressure and temperature dependencies of the lattice parameters, bulk modulus, Debye temperature, Grüneisen parameter, entropy, volume thermal expansion coefficient, and specific heat capacity are obtained in the ranges of 0–20 GPa and 0–1200 K using the quasi-harmonic Debye model. To our knowledge this is the first quantitative theoretical prediction of the thermodynamic properties for ZnGeP2 compound and still awaits experimental confirmations. 相似文献
184.
Poly (linoleic acid)-g-poly(methyl methacrylate) (PLiMMA) graft copolymer was synthesized and characterized. PLiMMA graft copolymer was synthesized from polymeric linoleic acid peroxide (PLina) possessing peroxide groups in the main chain by free radical polymerization of methyl methacrylate. Later, PLiMMA was characterized by proton nuclear magnetic resonance (1H NMR), gel permeation chromatography (GPC), thermal gravimetric analysis (TGA) and differential scanning calorimetry (DSC) techniques. Furthermore, Au/PLiMMA/n-Si diode was fabricated for the purpose of investigating PLiMMA׳s conformity in diodes. The main electrical characteristics of this diode were investigated using experimental current–voltage (I–V) measurements in dark and at room temperature. Obtained results, such as sufficiently high rectifying ratio of 4.5×104, indicate that PLiMMA is a promising organic material for electronic device applications. 相似文献
185.
《Measurement》2015
The modeling of solar radiation for forecasting its availability is a key tool for managing photovoltaic (PV) plants and, hence, is of primary importance for energy production in a smart grid scenario. However, the variability of the weather phenomena is an unavoidable obstacle in the prediction of the energy produced by the solar radiation conversion. The use of the data collected in the past can be useful to capture the daily and seasonal variability, while measurement of the recent past can be exploited to provide a short term prediction. It is well known that a good measurement of the solar radiation requires not only a high class radiometer, but also a correct management of the instrument. In order to reduce the cost related to the management of the monitoring apparatus, a solution could be to evaluate the PV plant performance using data collected by public weather station installed near the plant. In this paper, two experiments are conducted. In the first, the plausibility of the short term prediction of the solar radiation, based on data collected in the near past on the same site is investigated. In the second experiment, the same prediction is operated using data collected by a public weather station located at ten kilometers from the solar plant. Several prediction techniques belonging from both computational intelligence and statistical fields have been challenged in this task. In particular, Support Vector Machine for Regression, Extreme Learning Machine and Autoregressive models have been used and compared with the persistence and the k-NN predictors. The prediction accuracy achieved in the two experimental conditions are then compared and the results are discussed. 相似文献
186.
Nathan M. Wilbur Antin M. O'Sullivan Kerry T. B. MacQuarrie Tommi Linnansaari R. Allen Curry 《河流研究与利用》2020,36(5):769-783
Anthropogenic influences, including climate change, are increasing river temperatures in northern and temperate regions and threatening the thermal habitats of native salmonids. When river temperatures exceed the tolerance levels of brook trout and Atlantic salmon, individuals exhibit behavioural thermoregulation by seeking out cold‐water refugia – often created by tributaries and groundwater discharge. Thermal infrared (TIR) imagery was used to map cold‐water anomalies along a 53 km reach of the Cains River, New Brunswick. Trout and salmon parr did not use all identified thermal anomalies as refugia during higher river temperature periods (>21°C). Most small‐bodied trout (8–30 cm) were observed in 80% of the thermal anomalies sampled. Large‐bodied trout (>35 cm) required a more specific set of physical habitat conditions for suitable refugia, that is, 100% of observed large trout used 30% of the anomalies sampled and required water depths >65 cm within or adjacent to the anomaly. Densities of trout were significantly higher within anomalies compared with areas of ambient river temperature. Salmon parr were less aligned with thermal anomalies at the observed temperatures, that is, 59% were found in 65% of the sampled anomalies; and densities were not significantly different within/ outside anomalies. Salmon parr appeared to aggregate at 27°C, and after several events over 27°C variability in aggregation behaviour was observed – some fish aggregated at 25°C, others did not. We stipulate this is due to variances of thermal fatigue. Habitat suitability curves were developed for velocity, temperature, depth, substrate, and deep water availability to characterize conditions preferred by fish during high‐temperature events. These findings are useful for managers as our climate warms, and can potentially be used as a tool to help conserve and enhance thermal refugia for brook trout and Atlantic salmon in similar systems. 相似文献
187.
The main aim of this work is dual computer analysis of probabilistic coefficients for the homogenized tensor of the polymer filled with the rubber particles having randomized Poisson ratios of both constituents. The major issue is to verify an influence of a randomness in rubber Poisson ratio close to the compressibility limit on the uncertainty of the effective tensor probabilistic characteristics. Probabilistic analysis presented here is carried out using mainly the stochastic perturbation technique provided by the common application of the traditional FEM commercial code ABAQUS and the symbolic computations package MAPLE. This FEM-based technique employs polynomial response function of the optimum order recovered from the weighted least squares method and following a set of deterministic solutions obtained for various values of the randomized input parameter. Optimization procedure is released entirely into a symbolic environment, where maximization of the correlation factor together with minimization of the fitting variance and approximation error are applied. Homogenization technique consists in equating of deformation energies for the real composite and the artificial one characterized by the effective elasticity tensor with uncertainty. 相似文献
188.
《International Journal of Hydrogen Energy》2021,46(64):32480-32489
Based on that hydrogen energy is widely used in fuel cells, we focus our interests on the design and research of new complexes that catalyze the reaction in both directions, such as hydrogen evolution reactions (HERs) and hydrogen oxidation reactions (HORs). A highly efficient catalyst for both hydrogen evolution and oxidation, based on a nickel(II) complex, [Ni-en-P2](ClO4)2, has been designed and provided by the reaction of Ni(ClO4)2 with N,N′-bis[o-(diphenylphosphino)benzylidene]ethylenediamine (en-P2) in our group. Its structure has been determined by X-ray diffraction. [Ni-en-P2](ClO4)2 can electro-catalyze hydrogen evolution both from acetic acid and a neutral buffer (pH 7.0) with a turnover frequency (TOF) of 204 and 1327 mol of hydrogen per mole of catalyst per hour (H2/mol catalyst/h) under an overpotential (OP) of 914.6 mV and 836.6 mV, respectively. [Ni-en-P2](ClO4)2 also can electro-catalyze hydrogen oxidation with a TOF of 111.7 s−1 under an OP of 330 mV. The results can be attributed to that [NiII-en-P2](ClO4)2 has three good reversible redox waves at 1.01 (NiIII/II), −0.79 (NiII/I) and −1.38 V (NiI/0) versus Fc+/0, respectively. We hope these findings can afford a new method for the design of electrocatalysts for both H2 evolution and H2 oxidation. 相似文献
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190.