氧化钒晶体的半导体至金属相变的理论研究

本文利用第一性原理方法研究了金红石相和单斜相VO₂晶体的电子结构和热力学性质.在计算中采用局域密度近似结合Hubbard U模型(LDA+U)描述电子的局域强关联效应,同时也利用微扰密度泛函方法计算了两种相结构的声子谱.计算结果表明V原子3d电子轨道中x²-y²轨道能级分裂决定了VO₂晶体在不同相结构下的金属和绝缘体特性.零温状态方程计算揭示了在68 GPa时可以发生从单斜结构     

Duffing振子系统周期解的唯一性与精确周期信号的获取方法

研究Duffing振子系统的周期解的唯一性与精确周期信号的获取方法. 应用定性分析方法,获得了一类Duffing振子系统具有唯一周期解的必要条件,同时也得到了一类更广泛的非线性周期系统的周期解的唯一性.在一定条件下,给出了Duffing振子系统精确周期信号的获取方法.     

颗粒状纳米碳酸钡锶钙的研制

介绍一种气-液相合成技术合成氧化物阴极用三元碳酸盐,研究沉淀温度、浓度及搅拌速率对合成碳酸钡锶钙结晶形貌的影响,分析其结晶过程.通过优化合成溶液温度及合成浓度,控制碳酸盐的成核和生长速率,合成了一种颗粒状纳米三元碳酸盐,并进行直流发射测试.实验表明,这种纳米碳酸盐能明显提高氧化物阴极的发射性能.     

打结高分子链穿孔行为的研究

以三叶草型结(即3₁结)为例,采用分子动力学(MD)方法,研究打结高分子链在外场力作用下穿越微孔的动力学过程.模拟发现,在拉动打结高分子链的过程中,结的大小呈涨落变化,直至最后散结.定性讨论了结的存在对高分子链穿孔速率的影响.在外场力作用下,打结高分子链平均穿孔时间(τ)与链长(N)满足标度关系τ~N^α,其中标度系数α随外场力f增大而增大.对于短链,外场力越大,平均穿孔时间越短;     

非结构化网格下近岸波生流数值模拟

波浪破碎产生的近岸流是近岸海域关键的水动力因素之一。基于近岸波浪的椭圆型缓坡方程和二维近岸波生流方程,建立了非结构化网格下近岸波浪破碎形成的近岸流数值模型。数值模型中,在空间上采用有限体积法进行数值离散,在时间上采用欧拉向前格式数值离散。数值计算结果表明,该数值模型可以有效地模拟近岸波浪破碎产生的近岸流。     

Analytical method of radiation by a wave energy device with dual rectangular floating bodies

The system with one floating rectangular body on the free surface and one submerged rectangular body has been applied to a wave energy conversion device in water of finite depth. The radiation problem by this device on a plane incident wave is solved by the use of an eigenfunction expansion method, and a new analytical expression for the radiation velocity potential is obtained. The wave excitation force is calculated via the known incident wave potential and the radiation potential with a theorem of Haskind employed. To verify the correctness of this method, an example is computed respectively through the bound element method and analytical method. Results show that two numerical methods. are in good agreement, which shows that the present method is applicable. In addition, the trends of hydrodynamic coefficients and wave force are analyzed under different conditions by use of the present analytical method.     

The complex variable reproducing kernel particle method for two-dimensional elastodynamics

On the basis of the reproducing kernel particle method (RKPM), a new meshless method, which is called the complex variable reproducing kernel particle method (CVRKPM), for two-dimensional elastodynamics is presented in this paper. The advantages of the CVRKPM are that the correction function of a two-dimensional problem is formed with one-dimensional basis function when the shape function is obtained. The Galerkin weak form is employed to obtain the discretised system equations, and implicit time integration method, which is the Newmark method, is used for time history analysis. And the penalty method is employed to apply the essential boundary conditions. Then the corresponding formulae of the CVRKPM for two-dimensional elastodynamics are obtained. Three numerical examples of two-dimensional elastodynamics are presented, and the CVRKPM results are compared with the ones of the RKPM and analytical solutions. It is evident that the numerical results of the CVRKPM are in excellent agreement with the analytical solution, and that the CVRKPM has greater precision than the RKPM.     

Finite element modeling of heating phenomena of cracks excited by high-intensity ultrasonic pulses

A three-dimensional thermo-mechanical coupled finite element model is built up to simulate the phenomena of dynamical contact and frictional heating of crack faces when the plate containing the crack is excited by high-intensity ultrasonic pulses. In the finite element model, the high-power ultrasonic transducer is modeled by using a piezoelectric thermal-analogy method, and the dynamical interaction between both crack faces is modeled using a contact-impact theory. In the simulations, the frictional heating taking place at the crack faces is quantitatively calculated by using finite element thermal-structural coupling analysis, especially, the influences of acoustic chaos to plate vibration and crack heating are calculated and analysed in detail. Meanwhile, the related ultrasonic infrared images are also obtained experimentally, and the theoretical simulation results are in agreement with that of the experiments. The results show that, by using the theoretical method, a good simulation of dynamic interaction and friction heating process of the crack faces under non-chaotic or chaotic sound excitation can be obtained.     

不同预处理方法对南海东沙海域沉积物粒度的影响

通过采用不同方法对东沙沉积物样品进行了预处理,并采用综合法进行了粒度分析,以探讨东沙沉积物中碳酸盐和有机质对其粒度的影响。结果表明,去除有机质后沉积物的平均粒径和63～4μm粒径范围内的组分明显减小,有机质含量变化与平均粒径变化呈明显负相关,说明东沙沉积物中有机质的沉积是伴随细粒悬浮物质和胶体物质沉积下来的,且对细颗粒有明显的絮凝作用;去除碳酸盐后沉积物的平均粒径呈减小趋势,但粒径范围内组分含量的变化不明显,且碳酸盐含量的变化与沉积物粒径变化的关系也不甚密切。     

The form of the asymptotic depth-limited wind-wave spectrum: Part III — Directional spreading

The directional spreading of both the wavenumber and frequency spectra of finite-depth wind generated waves at the asymptotic depth limit are examined. The analysis uses the Wavelet Directional Method, removing the need to assume a form for the dispersion relationship. The paper shows that both the wavenumber and frequency forms are narrowest at the spectral peak and broaden at wavenumbers (frequencies) both above and below the peak. The directional spreading of the wavenumber spectrum is bi-modal above the spectral peak. In contrast, the frequency spectrum is uni-modal. This difference is shown to be the result of energy in the wind direction being displaced from the linear dispersion shell. A full parametric relationship for the directional spreading of the wavenumber spectrum is developed. The analysis clearly shows that typical dispersion relationships are questionable at high frequencies and that such effects can be significant. This result supports greater attention being focussed on the routine recording of wavenumber spectra, rather than frequency spectra.