48 resultados para Maclaurin coefficients

em Chinese Academy of Sciences Institutional Repositories Grid Portal


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In this research, asymmetrical cold rolling was produced by the difference in the coefficient of friction between rolls and sheets rather than the difference of roll radius or rotation speeds. The influence of friction coefficient ratio on the cross shear deformation, rolling pressure and torque was investigated using slab analysis. The results showed that the shear deformation zone length increased with the increase of the friction coefficient ratio. The rolling force decreased only under the condition that the friction coefficient ratio increased while the sum of the friction coefficients was held constant. As the reduction per pass was increased, the shear deformation zone length increased and the rolling force also increased. An increase of the front tension resulted in a decrease of the shear deformation zone length. An increase of back tension, however, led to an increase of the shear deformation zone length. The reduction of rolling torque for the work roll with higher surface roughness was greater than that for the work roll with lower surface roughness. (C) 2002 Elsevier Science B.V. All rights reserved.

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In order to describe the effect of latent hardening on the macro-plastic behavior of foc-crystal, a new expression for hardening coefficient is proposed in which there are 12 material constants, each having clear physical meaning. And a method of material constant calibration is suggested and used to determine the material constants of copper and aluminum crystal. The simulated load-elongation curves along various crystallographic orientations are comparable with the experimental ones.

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GaInP/GaAs dual-junction solar cell with a conversion efficiency of 25.2% has been fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Quantum efficiencies of the solar cell were measured within a temperature range from 25 to 160A degrees C. The results indicate that the quantum efficiencies of the subcells increase slightly with the increasing temperature. And red-shift phenomena of absorption limit for all subcells are observed by increasing the cell's work temperature, which are consistent with the viewpoint of energy gap narrowing effect. The short-circuit current density temperature coefficients dJ (sc)/dT of GaInP subcell and GaAs subcell are determined to be 8.9 and 7.4 mu A/cm(2)/A degrees C from the quantum efficiency data, respectively. And the open-circuit cell voltage temperature coefficients dV (oc)/dT calculated based on a theoretical equation are -2.4 mV/A degrees C and -2.1 mV/A degrees C for GaInP subcell and GaAs subcell.

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gamma-LiAlO2 (LAO) single crystal has been grown by the Czochralski method. However, its quality was deteriorated due to lithium volatilization during the crystal growth. The full width at half maximum value drops from 116.9 to 44.2 arc sec after the LAO slice was treated by vapor transport equilibration at 1000, 1100, and 1200 degrees C/48 h in sequence. The treated slice shows higher optical transmission than the as-grown one in the measured wavelength range of 190-1900 nm, meanwhile, its absorption edge exhibits a blueshift. According to Raman spectra, the treated slice has homogeneous quality at different depths from surface to 0.01 mm. The expansion coefficient of the treated slice for a axis drops from 17.2398x10(-6)/degrees C to 16.5240x10(-6)/degrees C, and that for c axis drops from 10.7664x10(-6)/degrees C to 10.0786x10(-6)/degrees C.

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The octanol-air partition coefficient (K-OA) is a key descriptor of chemicals partitioning between the atmosphere and environmental organic phases. Quantitative structure-property relationships (QSPR) are necessary to model and predict KOA from molecular structures. Based on 12 quantum chemical descriptors computed by the PM3 Hamiltonian, using partial least squares (PLS) analysis, a QSPR model for logarithms of K-OA to base 10 (log K-OA) for polychlorinated naphthalenes (PCNs), chlorobenzenes and p,p'-DDT was obtained. The cross-validated Q(cum)(2) value of the model is 0.973, indicating a good predictive ability of the model. The main factors governing log K-OA of the PCNs, chlorobenzenes, and p,p'-DDT are, in order of decreasing importance, molecular size and molecular ability of donating/accepting electrons to participate in intermolecular interactions. The intermolecular dispersive interactions play a leading role in governing log K-OA. The more chlorines in PCN and chlorobenzene molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) of the molecules leads to decreasing log K-OA values, implying possible intermolecular interactions between the molecules under study and octanol molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

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A concise quantitative model that incorporates information on both environmental temperature M and molecular structures, for logarithm of octanol-air partition coefficient (K-OA) to base 10 (logK(OA)) of PCDDs, was developed. Partial least squares (PLS) analysis together with 14 quantum chemical descriptors were used to develop the quantitative relationships between structures, environmental temperatures and properties (QRSETP) model. It has been validated that the obtained QRSETP model can be used to predict logK(OA) of other PCDDs. Molecular size, environmental temperature (T), q(+) (the most positive net atomic charge on hydrogen or chlorine atoms in PCDD molecules) and E-LUMO (the energy of the lowest unoccupied molecular orbital) are main factors governing logK(OA) of PCDD/Fs under study. The intermolecular dispersive interactions and thus the size of the molecules play a leading role in governing logK(OA). The more chlorines in PCDD molecules, the greater the logK(OA) values. Increasing E-LUMO values of the molecules leads to decreasing logK(OA) values, implying possible intermolecular interactions between the molecules under study and octanol molecules. Greater q(+) values results in greater intermolecular electrostatic repulsive interactions between PCDD and octanol molecules and smaller logK(OA) values. (C) 2002 Elsevier Science B.V. All rights reserved.

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Based on nine quantum chemical descriptors computed by PM3 Hamiltonian, using partial least squares analysis, a significant quantitative structure-property relationship for the logarithm of octanol-air partition coefficients (log K-OA) of polychlorinated biphenyls (PCBs) was obtained. The cross-validated Q(cum)(2) value of the model is 0.962, indicating a good predictive ability. The intermolecular dispersive interactions and thus the size of the PCB molecules play a key role in governing log K-OA. The greater the size of PCB molecules, the greater the log K-OA values. Increasing E-LUMO (the energy of the lowest unoccupied molecular orbital) values of the PCBs leads to decreasing log K-OA values, indicating possible interactions between PCB and octanol molecules. Increasing Q(Cl)(+) (the most positive net atomic charges on a chlorine atom) and Q(C)(-) (the largest negative net atomic charge on a carbon atom) values of PCBs results in decreasing log K-OA values, implying possible intermolecular electrostatic interactions between octanol and PCB molecules. (C) 2002 Elsevier Science Ltd. All rights reserved.

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Based on some fundamental quantum chemical descriptors computed by PM3 Hamiltonian, by the use of partial least-squares (PLS) analysis, a significant quantitative structure-property relationship (QSPR) model for logK(ow) of polychlorinated dibenzo-p-dioxins and dibenzo-p-furans (PCDD/Fs) was obtained. The QSPR can be used for prediction. The intermolecular dispersive interactions and thus the bulkness of the PCDD/Fs are the main factors affecting the logK(ow). The more chlorines in the PCDD/F molecule, the greater the logK(ow) values. (C) 2001 Elsevier Science Ltd. All rights reserved.

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A column method was developed to conveniently and reliably determine the soil organic partition coefficients (K-oc) of three insecticides (methiocarb, azinphos-methyl, fenthion), four fungicides (triadimenol, fuberidazole, tebuconazole, pencycuron), and one herbicide (atrazine), in which real soil acted as a stationary phase and the water solution of pesticide as an eluent. The processes of sorption equilibrium were directly shown through a breakthrough curve(BTC). The log K-oc values are 1.69, 1.95, 2.25, 2.55, 2.69, 2.67, 3.10, and 3.33 for atrazine, triadimenol, methiocarb, fuberidazole, azinphos-methyl, tebuconazole, fenthion and pencycuron, respectively.

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GaInP/GaAs dual-junction solar cell with a conversion efficiency of 25.2% has been fabricated using metalorganic chemical vapor deposition (MOCVD) technique. Quantum efficiencies of the solar cell were measured within a temperature range from 25 to 160A degrees C. The results indicate that the quantum efficiencies of the subcells increase slightly with the increasing temperature. And red-shift phenomena of absorption limit for all subcells are observed by increasing the cell's work temperature, which are consistent with the viewpoint of energy gap narrowing effect. The short-circuit current density temperature coefficients dJ (sc)/dT of GaInP subcell and GaAs subcell are determined to be 8.9 and 7.4 mu A/cm(2)/A degrees C from the quantum efficiency data, respectively. And the open-circuit cell voltage temperature coefficients dV (oc)/dT calculated based on a theoretical equation are -2.4 mV/A degrees C and -2.1 mV/A degrees C for GaInP subcell and GaAs subcell.

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We have investigated the ground exciton energy pressure coefficients of self-assembled InAs/GaAs quantum dots by calculating 21 systems with different quantum dot shape, size, and alloying profile using the atomistic empirical pseudopotential method. Our results confirm the experimentally observed significant reductions of the exciton energy pressure coefficients from the bulk values. We show that the nonlinear pressure coefficients of the bulk InAs and GaAs are responsible for these reductions, and the percentage of the electron wave function on top of GaAs atoms is responsible for the variation of this reduction. We also find a pressure coefficient versus exciton energy relationship which agrees quantitatively with the experimental results. We find linear relationships which can be used to get the information of the electron wave functions from exciton energy pressure coefficient measurements.

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Ten-period 5.5 nm Si0.75Ge0.25/10.3 nm Si/2.5 nm Si0.5Ge0.5 trilayer asymmetric superlattice was prepared on Si (001) substrate by ultrahigh vacuum chemical vapor deposition at 500 degrees C. The stability of Mach-Zehnder interferometer was improved by utilizing polarization-maintaining fibers. According to the electro-optic responses of the superlattice with the light polarization along [110] and [-110], respectively, both electro-optic coefficients gamma(13) and gamma(63) of such asymmetric superlattice were measured. gamma(13) and gamma(63) are 2.4x10(-11) and 1.3x10(-11) cm/V, respectively, with the incident light wavelength at 1.55 mu m. (c) 2006 American Institute of Physics.

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Excitation-power dependence of hydrostatic pressure coefficients (dE/dP) of InxGa1-xN/InyGa1-yN multiple quantum wells is reported. When the excitation power increases from 1.0 to 33 mW, dE/dP increases from 26.9 to 33.8 meV/GPa, which is an increase by 25%. A saturation behavior of dE/dP with the excitation power is observed. The increment of dE/dP with increasing carrier density is explained by an reduction of the internal piezoelectric field due to an efficient screening effect of the free carriers on the field.

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In this paper we present a new method for measuring diffusion coefficients in liquid metals under convection-less conditions with solid/liquid-liquid/solid trilayer. The advantage of this kind of trilayer is that effects from gravity-induced convection and Marangoni-convection can be omitted, so that the diffusion coefficient is determined more accurately. The Ta/Zn-Sn/Si trilayer were prepared with a multi-target ion-beam sputtering deposition technique and annealed in an electric furnace under an argon atmosphere. The interdiffusion of liquid zinc and tin at 500 degrees degree C was investigated. The diffusion concentration profiles were determined by energy dispersive spectroscopy. The interdiffusion coefficients range from 1.0x10(-6)cm(2)/s to 2.8x10(-6)cm(2)/s, which is less than previous values measured by capillary reservoir technique under 1g-environment where various convection exist. The precise interdiffusion coefficients of liquid zinc and tin result from the removing of disturbances of various kinds of convection.