Quantitative Comparison of REAPDOR and TRAPDOR Experiments by Numerical Simulations and Determination of H–Al Distances in Zeolites

Quantitative H–Al distances in acid sites of two zeolites with MFI and IFR framework topology were obtained by numerical simulation of ¹H{²⁷Al} rotational echo adiabatic passage double resonance (REAPDOR) experiments. A ²⁷Al offset-dependent data set yields for each resolved ¹H NMR line a corresponding nuclear electric quadrupole coupling constant of the neighboring ²⁷Al site. This information is used for analyzing a second data set for on-resonance irradiation, where the dipolar evolution time (number of rotor cycles) was varied, to yield the ¹H–²⁷Al dipolar coupling constant. Numerical simulations indicate that the REAPDOR method does not depend significantly on the polar angles, defining the orientation of the electric field gradient tensor of ²⁷Al with respect to the Al–H dipolar vector. In contrast, the transfer of populations in double resonance sequence is sensitive to these angles, and it can be thus used to measure them.     

空位在金刚石近(001)表面扩散的分子动力学模拟

用分子动力学方法模拟了空位在金刚石近(001)表面的扩散过程,研究了温度对空位扩散的影响.结果表明,当温度为1000K左右时,位于近表面第二层上的空位开始向表面运动;当温度在1400—2000K时,空位完全扩散到表面.这与实验结果和其他计算结果符合得很好.同时发现,温度为1400—1800K时,空位的扩散经历了两次迁移运动,其分别对应了均方位移图中的两个极大值.在不施加任何约束的条件下得到了空位的动态扩散路径,空位在金刚石近(001)表面的扩散势垒约为042eV.并探讨了一定温度下空位数目增多及其不同排列 关键词： 金刚石 空位 扩散 分子动力学     

Optimal design of a convergent-barrel cold spray nozzle by numerical method

A convergent-barrel (CB) cold spray nozzle was designed through numerical simulation. It was found that the main factors influencing significantly particle velocity and temperature include the length and diameter of the barrel section, the nature of the accelerating gas and its pressure and temperature, and the particle size. Particles can achieve a relatively low velocity but a high temperature under the same gas pressure using a CB nozzle compared to a convergent-divergent (CD) nozzle. The experiment results with Cu powder using the designed CB nozzle confirmed that particle deposition can be realized under a lower gas pressure with a CB nozzle.     

Performance and simulation of an on-board guided-wave optical processor for airborne SAR applications

This paper describes the performance and simulation of a compact integrated optical processor for the real-time reconstruction of two-dimensional images in airborne stripmap synthetic aperture radar applications. The functional behavior of the processor is explained in some detail. The design criteria are briefly given. The simulation step allowed the main processor characteristics and properties to be identified. A number of comparisons were obtained in airborne SAR mission scenarios between the predictions of the optical device and those achieved by the modern electronic digital approach, based on the wavefront reconstruction method by matched filtering.     

颗粒聚集对纳米流体强化换热影响浅析

本文采用数值模拟的方法初步研究了颗粒聚集对纳米流体强化换热性能的影响。在流体中随机生成纳米颗粒团聚状态,并对其热性能进行数值模拟,结果表明,纳米颗粒的聚集将会导致流体换热性能的下降,降低程度与纳米颗粒体积分数以及聚集程度有关。     

基于二次插值的非饱和土壤水流问题的特征差分方法及数值模拟

本文针对一类非饱和土壤水流问题,提出了基于二次插值的特征差分格式,得到了严谨的L2模误差估计.并作了数值试验,指明方法的有效性.     

Reconstruction of the Point-Spread Function of the Human Eye Using a New Phase-Retrieval Algorithm

The double-pass method is thought to obtain the point spread function (PSF) in human eyes based on two techniques: the symmetric double-pass method using the same pupil size and the asymmetric double-pass method using a different pupil size. The symmetric double-pass method provides autocorrelation of the retinal PSF and, thus, the modulation transfer function. The asymmetric double-pass method provides low-frequency partial-phase information and the partial phase-retrieval algorithm is applied to obtain the complete-phase information, and to estimate the PSF. The partial phase-retrieval algorithm is based on the iteration method proposed by Fineup and Kowalczyk and requires a lengthy computation. In this study, we propose a new high-speed phase-retrieval algorithm based on the property that the real and imaginary parts of optical transfer functions (OTFs) continuously change in value.     

Numerical simulation of the spatiotemporal evolution of a nanoparticle–plasma system

A one-dimensional nanodusty plasma was modeled by self-consistently coupling a plasma model with nanoparticle growth, charging, and transport models. As nanoparticles grow from subnanometer to tens of nm in diameter, the numerical results predict a rich spatiotemporal structure, including four distinct temporal phases: a charge-limited phase, a charge accumulation phase, an early ion drag phase, and a sheath interaction phase.     

Students’ Reasoning About One-Object Stochastic Phenomena in an ICT-Environment

This paper focuses on the different ways in which students in lower secondary school (14–16 year olds) experience compound random events, presented to them in the form of combined junctions. A carefully designed ICT environment was developed enabling the students to interact with different representations of such structures. Data for the analysis was gathered from two interview sessions. The analysis of the interaction is based on constructivist principles on learning; i.e. we adopted a student-oriented perspective, taking into consideration the different ways students try to make sense of chance encounters. Our results show how some students give priority to geometrical and physical concerns, and we discuss how seeking causal explanations of random phenomena may have encouraged this. With respect to numerically oriented models a division strategy appears to stand out as the preferred one.     

一类二元相关威布尔分布的可靠性问题

本文考虑生存函数为${\ol{F}(x_{1},x_{2})}=\exp\{-[(x_{1}^{1/\alpha}/\theta_{1})^{1/\delta}+(x_{2}^{1/\alpha}/\theta_{2})^{1/\delta}]^{\delta}\},\;x_{i}>0,\;\alpha>0$, $1\geq\delta>0,\;\theta_{i}>0\;(i=1,2)$的二元威布尔分布的两种可靠性问题, 提出可靠度$\pr$的估计并讨论了它们的渐近性, 最后还作了模拟计算.