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61.
Chia‐Chun Chou 《International journal of quantum chemistry》2015,115(7):419-425
A simple and easy‐to‐implement method is presented for the study of time‐dependent reaction dynamics by propagating an ensemble of transmitted quantum trajectories. During the trajectory evolution, reflected trajectories are gradually removed and all the remaining trajectories represent the transmitted subensemble. The removal process of reflected trajectories avoids numerical instabilities arising from node formation in the reactant region, and allows stable long‐time propagation of transmitted trajectories. This method is applied to a two‐dimensional model chemical reaction. Excellent computational results are obtained for the time‐dependent reaction probabilities evaluated by the time integration of the probability flux. © 2014 Wiley Periodicals, Inc. 相似文献
62.
To facilitate practical medical applications such as cancer treatment utilizing focused ultrasound and bubbles, a mathematical model that can describe the soft viscoelasticity of human body, the nonlinear propagation of focused ultrasound, and the nonlinear oscillations of multiple bubbles is theoretically derived and numerically solved. The Zener viscoelastic model and Keller–Miksis bubble equation, which have been used for analyses of single or few bubbles in viscoelastic liquid, are used to model the liquid containing multiple bubbles. From the theoretical analysis based on the perturbation expansion with the multiple-scales method, the Khokhlov–Zabolotskaya–Kuznetsov (KZK) equation, which has been used as a mathematical model of weakly nonlinear propagation in single phase liquid, is extended to viscoelastic liquid containing multiple bubbles. The results show that liquid elasticity decreases the magnitudes of the nonlinearity, dissipation, and dispersion of ultrasound and increases the phase velocity of the ultrasound and linear natural frequency of the bubble oscillation. From the numerical calculation of resultant KZK equation, the spatial distribution of the liquid pressure fluctuation for the focused ultrasound is obtained for cases in which the liquid is water or liver tissue. In addition, frequency analysis is carried out using the fast Fourier transform, and the generation of higher harmonic components is compared for water and liver tissue. The elasticity suppresses the generation of higher harmonic components and promotes the remnant of the fundamental frequency components. This indicates that the elasticity of liquid suppresses shock wave formation in practical applications. 相似文献
63.
Method of measuring one-dimensional photonic crystal period-structure-film thickness based on Bloch surface wave enhanced Goos-Hänchen shift 下载免费PDF全文
Yao-Pu Lang 《中国物理 B》2023,32(1):17802-017802
This paper puts forward a novel method of measuring the thin period-structure-film thickness based on the Bloch surface wave (BSW) enhanced Goos-Hänchen (GH) shift in one-dimensional photonic crystal (1DPC). The BSW phenomenon appearing in 1DPC enhances the GH shift generated in the attenuated total internal reflection structure. The GH shift is closely related to the thickness of the film which is composed of layer-structure of 1DPC. The GH shifts under multiple different incident light conditions will be obtained by varying the wavelength and angle of the measured light, and the thickness distribution of the entire structure of 1DPC is calculated by the particle swarm optimization (PSO) algorithm. The relationship between the structure of a 1DPC film composed of TiO2 and SiO2 layers and the GH shift, is investigated. Under the specific photonic crystal structure and incident conditions, a giant GH shift, 5.1×103 times the wavelength of incidence, can be obtained theoretically. Simulation and calculation results show that the thickness of termination layer and periodic structure bilayer of 1DPC film with 0.1-nm resolution can be obtained by measuring the GH shifts. The exact structure of a 1DPC film is innovatively measured by the BSW-enhanced GH shift. 相似文献
64.
We investigate the effects of long-range interactions on the spin wave spectra and the competition between magnetic phases on a frustrated square lattice with large spin S. Applying the spin wave theory and assisted with symmetry analysis, we obtain analytical expressions for spin wave spectra of competing Neel and (π, 0) stripe states of systems containing any-order long-range interactions. In the specific case of long-range interactions with power-law decay, we find surprisingly that the staggered long-range interaction suppresses quantum fluctuation and enlarges the ordered moment, especially in the Neel state, and thus extends its phase boundary to the stripe state. Our findings illustrate the rich possibilities of the roles of long-range interactions, and advocate future investigations in other magnetic systems with different structures of interactions. 相似文献
65.
Tlou A. Makwakwa Potlako J. Mafa Hlengilizwe Nyoni Titus A. M. Msagati 《Electroanalysis》2022,34(7):1103-1113
In the present study, an electroanalytical method that permits the optimization of factors affecting SWV for sensitive detection of mifepristone at glassy carbon electrode (GCE) using response surface methodology (RSM) with desirability function (DF) is presented. Factors selected for optimization after screening using full factorial design were frequency (X1), amplitude (X2), and pH (X3). The central composite design as a response surface methodology with desirability function (DF) was applied for obtaining the optimum level. The optimum conditions were obtained as follows: Frequency (X1=50 Hz), amplitude (X2=33.4 mV), and pH (X3=9.4), with an overall desirability function of 0.97. Subsequently, confirmatory experiments were performed in triplicates to validate the optimum conditions. The results obtained were satisfactory and agreed well with less only 11.9 % deviation from the values predicted by the model. The limit of detection (LOD) and limit of quantification (LOQ) were found to be 0.54 and 1.80 ppm, respectively. The proposed method was applied for a quantitative determination of mifepristone in spiked tap water samples. The recovery tests showed that the detection of mifepristone at GC could be evaluated on environmental samples. 相似文献
66.
An efficient sensor was developed for the simultaneous determination of gallic and folic acid in juice samples using an electrochemically pretreated carbon paste electrode. The electrode was characterized by CV and EIS. The electrochemical behavior of GA and FA was evaluated by CV and SWV. The electrode exhibited high electrocatalytic activity towards GA and FA due to high surface area. Under the optimized condition, linear plots in the ranges of 0.08–13 μM and 0.1 to 15 μM were obtained for GA and FA, respectively. The proposed method was successful for the simultaneous determination of GA and FA in juice samples with satisfactory recovery. 相似文献
67.
Neel Sisodia Monica Miranda Kay L. McGuinness Jay D. Wadhawan Nathan S. Lawrence 《Electroanalysis》2021,33(3):559-562
This work presents the electrochemical response of a 2-(methylthio)phenol glassy carbon based electrode for a promising voltammetric pH sensor in both buffered and low-buffered solutions. Electropolymerization of the redox species was performed with the resulting polymer presenting a Nernstian response in buffered media, with a sensitivity of 51 mV/pH unit. The effectiveness of the sulfhydryl bond to facilitate proton transfer from the bulk solution to the phenol molecules has been confirmed, providing an accurate pH measurement of 8.28 in sea water media, compared to that measured with a calibrated glass pH probe of 8.30. 相似文献
68.
碳化硅块状气凝胶的制备及应用 总被引:1,自引:0,他引:1
碳化硅气凝胶具有高温稳定性、低热膨胀系数、良好的抗热震性以及抗氧化和耐腐蚀等优异的性质,在高温和高腐蚀性环境下的隔热、电磁吸波、过滤和吸附等领域具有较大的应用潜力。然而,块状碳化硅气凝胶的可控制备一直是一项较大的挑战。本文综述了块状碳化硅气凝胶在制备工艺和应用两个方面的研究进展,首先分析总结了各种制备工艺及其优缺点,包括有机/SiO2复合气凝胶碳热还原法、预陶瓷化聚合物裂解法、化学气相沉积法、高温气相渗硅法和碳化硅纳米线组装法;然后,详细介绍了碳化硅气凝胶在高温隔热和电磁吸波两个领域的应用研究进展;最后,展望了碳化硅气凝胶未来的若干发展方向。 相似文献
69.
《Electroanalysis》2017,29(2):497-505
An electrochemical sensor for the simultaneous and sensitive detection of Cd(II) and Pb(II) is proposed on the basis of square‐wave anodic stripping voltammetry (SWASV) experiments using a novel bismuth film/ordered mesoporous carbon‐molecular wire modified graphite carbon paste electrode (Bi/OMC‐MW/GCPE). Ordered mesoporous carbon (OMC) and molecular wire (MW) (diphenylacetylene) were used as the modifier and binder, respectively. The Bi/OMC‐MW/GCPE was prepared with the addition of graphite powder, OMC and DPA at the ratio of 2 : 1 : 1. The electrochemical properties and morphology of the electrode were characterized by electrochemical impedance spectroscopy (EIS), cyclic voltammetry (CV), SWASV and scanning electron microscopy (SEM). The parameters affecting the stripping current response were investigated and optimized. The experimental results show that the prepared electrode exhibited excellent electrochemical performance, good electrical conductivity and a high stripping voltammetric response. Under optimized conditions, a linear range was achieved over a concentration range from 1.0 to 70.0 μg/L for both Cd(II) and Pb(II) metal ions, with detection limits of 0.07 μg/L for Cd(II) and 0.08 μg/L for Pb(II) (S/N=3) with the deposition time 150 s. Moreover, the sensor exhibited improved sensitivity and reproducibility compared to traditional CPEs. The fabricated electrode was then successfully used to satisfactorily detect Cd(II) and Pb(II) in real soil samples. 相似文献
70.
A fast discontinuous finite element discretization for the space‐time fractional diffusion‐wave equation 下载免费PDF全文
Zhengguang Liu Aijie Cheng Xiaoli Li 《Numerical Methods for Partial Differential Equations》2017,33(6):2043-2061
In this article, we study fast discontinuous Galerkin finite element methods to solve a space‐time fractional diffusion‐wave equation. We introduce a piecewise‐constant discontinuous finite element method for solving this problem and derive optimal error estimates. Importantly, a fast solution technique to accelerate Toeplitz matrix‐vector multiplications which arise from discontinuous Galerkin finite element discretization is developed. This fast solution technique is based on fast Fourier transform and it depends on the special structure of coefficient matrices. In each temporal step, it helps to reduce the computational work from required by the traditional methods to log , where is the size of the coefficient matrices (number of spatial grid points). Moreover, the applicability and accuracy of the method are verified by numerical experiments including both continuous and discontinuous examples to support our theoretical analysis.© 2017 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 2043–2061, 2017 相似文献