A model for semiconductor quantum dot molecule based on the current spin density functional theory

Based on the current spin density functional theory, a theoretical model of three vertically aligned semiconductor quantum dots is proposed and numerically studied. This quantum dot molecule (QDM) model is treated with realistic hard-wall confinement potential and external magnetic field in three-dimensional setting. Using the effective-mass approximation with band nonparabolicity, the many-body Hamiltonian results in a cubic eigenvalue problem from a finite difference discretization. A self-consistent algorithm for solving the Schrödinger-Poisson system by using the Jacobi-Davidson method and GMRES is given to illustrate the Kohn-Sham orbitals and energies of six electrons in the molecule with some magnetic fields. It is shown that the six electrons residing in the central dot at zero magnetic field can be changed to such that each dot contains two electrons with some feasible magnetic field. The Förster-Dexter resonant energy transfer may therefore be generated by two individual QDMs. This may motivate a new paradigm of Fermionic qubits for quantum computing in solid-state systems.     

一种基于三次样条函数求离子浓度的自动算法

本文提出了一种用三次样条函数模拟双次标准加入法测量方程，直接求解离子浓度的自动算法。比较了三咱不同边界条件下用要池数计算离子浓度的结果。造出节点区间两极端点的二阶导数为零时的三次样条函数为最佳模拟函数。并讨论了该方法在实际分析中误差的来源及消除办法。经对一系列文献数据的验算对比，表明本法完全可代替传统的迭代法和查图法，且能方便地设置在智能化的电位分析系统中。     

Bezier曲线树

本文提出Ｂｅｚｉｅｒ样条曲线树结构用以高效地实现对曲边几何体的各种几何运算。对任意一条Ｂｅｚｉｅｒ样条曲线，用ｄｅＣａｓｔｅｌｊａｕ算法进行分割后，将分割结果用一平衡二叉树来存储。此后，对于该曲线所作的各种几何运算可以一种逼近等级的方式来进行。先以粗糙的逼近来进行计算，必要时增加精密度，从而提高各种运算的效率。     

G~2－连续的保凸插值三次Bezier样条曲线

本文引入曲率参数，描述了分段三次Ｂｅｚｉｅｒ插值样条曲线（开的和闭的）。这些插值曲线是Ｇ~２－连续的和保凸的，并且这些曲线可以作局部修改。最后，用本文的方法解决了一个实际问题。     

正则化长波方程的三次样条差分模拟

本文对正则化长波方程(RLW方程)的时间、空间项分别采用三次样条公式进行离散,所得到的差分方程为三点、三层隐格式,对时间的精度为四阶,对空间的精度为二阶,每个时间步只需求解一个三对角方程组,而三次样条配置法在每个时间步中需要求解三个三对角方程组。本文对单个孤立波的演化进行了计算,参数与文[8]相同,其结果与解析解的最大绝对误差均保持在10~(-3)的量级以内,与文[8]给出的数值方法精度相当。对两、三个孤立波的相互碰撞,本文结果显示出在忽略10~(-3)量级的误差后,碰撞前后的孤立波形状保持不变,无论是一个孤立波的演化,还是两、三个孤立波相互碰撞,当将波形放大100倍后均可以发现有振荡的尾波,这说明这类振荡尾波的产生并非真实的物理现象,而是由数值误差产生的。本文认为仅从工程应用的意义上说,RLW方程具有孤立子性质的结论是可以接受的。     

用保形样条方法求解非定常对流扩散方程

在欧拉-拉格朗日分裂方法的基础上,本文发展了一种固定网格上的欧拉-拉格朗日分裂方法.保形样条方法(SPSM)被用来解决倒特征线插值问题.通过求解几个有精确解的例子,说明SPSM方法的解是单调无振荡的,并且数值耗散也是比较小的.     

面向对象的三次参数样条曲线技术

本文利用Ｃ＋＋面向对象的特征，对三次参数样条曲线的定义和生成过程进行封装，从而极大地简化了三次参数样条曲线的定义和绘制过程     

Crystallization behavior of star-shaped poly(ethylene oxide) with cubic silsesquioxane (CSSQ) core

The crystallization behavior of well-defined star-shaped cubic silsesquioxane-poly(ethylene oxide) (CSSQ-PEO) and linear PEO were studied in terms of differential scanning calorimetry (DSC) and wide-angle X-ray scattering (WAXS). It was found in DSC analysis that the glass transition temperature (T_g) and the crystallization temperature (T_c) of CSSQ-PEO are different from those of linear PEO. The presence of CSSQ in PEO reduced the overall crystallization growth rate. This effect can be ascribed to the reduction of the mobility of the PEO crystallites in the presence of CSSQ and the star structure of the polymer. The Ozawa method is qualitatively satisfactory for describing the nonisothermal crystallizations of linear PEO and CSSQ-PEO. The presence of CSSQ leads to the diffusion- and nucleation-controlled mechanisms in the crystallization process of CSSQ-PEO whilst only the nucleation-controlled mechanism was observed in the case of linear PEO. The apparent activation energy required for crystallization was calculated using the Kissinger method. The isothermal crystallization morphology of PEO and CSSQ-PEO were also examined by cross-polarizing optical microscopy (CPOM). The CPOM images indicated the spherulite growth is slower in CSSQ-PEO as compared to linear PEO. It was also investigated that more number of PEO spherulites in CSSQ-PEO were observed, which sizes are markedly smaller than the spherulites developed in linear PEO. Wide-angle X-ray scattering (WAXS) studies showed that the crystallization peaks for linear PEO and CSSQ-PEO appeared at different temperature revealing the crystallization process and crystal growth rate are different from each other. However, no significant distortion of the crystal structure of PEO was evaluated in the presence of CSSQ.     

拱坝三次样条曲线拱圈线型及优化研究

建立拱坝拱圈三次样条曲线模型，根据非线性规划町行域与最优解的理论。比较了抛物线、椭圆、双曲线和三次样条曲线线型的优劣，并采用复合形法对这些线型的拱圈进行了优化。结果表明，三次样条曲线拱圈最优。     

Pressure infiltration of boron nitride preforms with molten aluminum

The infiltration of compacted cubic BN (cBN) with molten aluminum has been investigated as a potential route for a cheap and easy method of manufacturing cBN/metal composites. CBN compacts have been infiltrated with molten Al at a temperature between 670 and 800 °C and pressure of 15 MPa in vacuum. At these temperatures no pronounced interactions between hexagonal and cubic BN with Al was observed, allowing the complete infiltration of cBN with 12 μm mean grain size. After infiltration at 800 °C, the temperature was increased without pressure to convert aluminum into borides and AlN. The hardness of the resulting materials depends on the content of hexagonal, cubic BN and the rate of conversion of Al into borides and AlN. The infiltration height of less than 1 mm obtained from infiltrating the 3 μm cBN powder green compacts gave a hardness of 22.0 ± 0.6 GPa after heat treatment.