Series resonance circuit with ferroelectric capacitor

A series resonance circuit under sinuousoidal driving is investigated experimentally. The inductance consists of an air coil. The capacitance is made up of a ferroelectric material that introduces its nonlinear dielectric properties into the circuit. The dynamical system linear coil-nonlinear capacaitor shows an interesting behaviour. The phase portrait differs in general from the ellipse of the harmonic oscillator. For appropriate external conditions period doubling sequences, chaos and therein enclosed periodic windows might occur. Starting from a cubic nonlinearity of the dielectric properties a Duffing equation is proposed as a model for periodic behaviour of the series resonance circuit. Simulations of experimentally recorded phase portraits yield good agreement between experiment and model.     

结构材料辐照损伤的分子动力学程序GPU并行化及优化

基于NIVIDIA公司的CUDA架构对结构材料辐照损伤的分子动力学程序在单个GPU上进行并行化,并对影响程序运行效率的相关因素进行分析和测试.经过一系列优化,当粒子数为两百万时,对比单CPU的执行时间,优化后的GPU程序其双精度加速比可达112倍,单精度加速比达到了三百倍,为后续扩展多GPU结构材料辐照损伤的分子动力学程序奠定基础.     

Angular distribution of atoms sputtered from germanium by 1–20 keV Ar ions

The angular distribution of atoms sputtered from germanium under 1–20 keV Ar⁺ ion bombardment (normal incidence) has been studied experimentally and using computer simulations. A collector technique combined with Rutherford backscattering to analyze the distribution of collected material was used. In addition, the surface topography was under control. It was found that the experimental angular distribution of sputtered atoms (E ₀=3–10 keV) could be approximated by the function cos ⁿ θ with n≈ 1.65. Such a high value of n is connected with the surface scattering of ejected atoms and a noticeable contribution of backscattered ions to the formation of the sputter flux (the mass effect). The target surface was found to be practically flat even at ion fluencies ～10¹⁸ ions/cm². The results obtained are compared with data from the literature, including our recent data on Si sputtering.     

Vibrational properties of the F A (Li+) center in alkali halides

Abstract

The on- or off-axis behavior and the vibrational properties of the F _A (Li⁺) center are investigated in several alkali halides by means of polarized resonant Raman scattering. The observed Raman modes are interpreted and classified according to their nature and frequency. A comparison between on- and off-axis systems and between the vibrational modes of the isolated Li⁺ and the F _A (Li⁺) center reveals a displacement of the Li⁺ equilibrium position parallel to the F _A (Li⁺) defect axis and, due to the small impurity size, away from the adjacent F center.     

Large-eddy simulations of temporally accelerating turbulent channel flow

The unsteady turbulent channel flow subject to the temporal acceleration is considered in this study. Large-eddy simulations were performed to study the response of the turbulent flow to the temporal acceleration. The simulations were started with the fully developed turbulent channel flow at an initial Reynolds number of Re₀ = 3500 (based on the channel half-height and the bulk-mean velocity), and then a constant temporal acceleration was applied. During the acceleration, the Reynolds number of the channel flow increased linearly from the initial Reynolds number to the final Reynolds number of Re₁ = 22,600. The effect of grid resolution, domain size, time step size on the simulation results was assessed in a preliminary study using simulations of the accelerating turbulent flow as well as simulations of the steady turbulent channel flow at various Reynolds numbers. Simulation parameters were carefully chosen from the preliminary study to ascertain the accuracy of the simulation. From the accelerating turbulent flow simulations, the delays in the response of various flow properties to the temporal acceleration were measured. The distinctive features of the delays responsible for turbulence production, energy redistribution, and radial propagation were identified. Detailed turbulence statistics including the wall shear stress response during the acceleration were examined. The results reveal the changes in the near-wall structures during the acceleration. A self-sustaining mechanism of turbulence is proposed to explain the response of the turbulent flow to the temporal acceleration. Although the overall flow characteristics are similar between the channel and pipe flows, some differences were observed between the two flows.     

Fluctuating semiflexible polymer ribbon constrained to a ring

Twist stiffness and an asymmetric bending stiffness of a polymer or a polymer bundle is captured by the elastic ribbon model. We investigate the effects a ring geometry induces to a thermally fluctuating ribbon, finding bend-bend coupling in addition to twist-bend coupling. Furthermore, due to the geometric constraint the polymer's effective bending stiffness increases. A new parameter for experimental investigations of polymer bundles is proposed: the mean square diameter of a ribbonlike ring, which is determined analytically in the semiflexible limit. Monte Carlo simulations are performed which affirm the model's prediction up to high flexibility.     

Monte Carlo study of the critical and the compensation behaviors of the double perovskite Sr2CrIrO6

The phase diagrams and magnetic properties of double perovskite $S{r}_{2}CrIr{O}_6$ have been studied by using Monte Carlo simulation based on the heat bath algorithm. The ground-state diagrams of the compound $S{r}_{2}CrIr{O}_6$ have been calculated for different combinations of system parameters. The diagrams obtained are very rich and they give an idea of all the most stable configurations. The effects of the exchange interactions and the crystal field on the phase diagrams and magnetic properties of the system have been examined. A number of interesting phenomena have been observed such as the compensation temperature, the first and second order phase transitions, the critical triple point and the terminal critical point.     

肌红蛋白力致去折叠的全原子分析

位于脊椎动物骨骼肌中的肌红蛋白在生命过程中扮演着重要角色，其折叠过程依赖于血红素的绑定.本文着重于肌红蛋白在力的作用下去折叠过程的全原子统计分析.结果表明血红素不仅具有生物学上的功能，而且决定其去折叠的动力学过程.在血红素不存在的情况下，肌红蛋白的力致去折叠过程存在一个中间态，其构象不同于化学变性剂所导致的去折叠中间态，发现新的中间态.结论与相关实验结果相符，揭示了肌红蛋白力致去折叠的一般机制.     

秋千参数自激振动的数学模型与数值模拟

将秋千视为变长度单摆,基于归一化高斯函数构造了摆球相对摆杆的速度表达式.在此基础上建立了秋千的非线性动力学微分方程,并据此数学模型对秋千运动进行了数值模拟,得到了秋千的运动规律和功能转化的机制.     

基于粒子模拟的磁绝缘传输线等效电容和等效电感的计算

提出了一种基于粒子模拟的磁绝缘传输线等效电容和等效电感计算方法,在层流模型得到的同轴磁绝缘传输线等效电感和等效电容理论公式中引入修正因子,对粒子模拟所得结果进行数值拟合,获得了等效电容和等效电感修正因子依赖于电压的拟合表达式,修正后的等效电容和等效电感理论公式与粒子模拟结果符合较好,所得结果可用于磁绝缘传输线的等效电路建模。