亚烷基卡宾与亚烷基锂氟类卡宾化学键结构的量子拓扑研究

用ab initio(3-21G)方法对亚烷基卡宾H_2C—C的单线态及三线态结构进行了电子密度拓扑分析,说明了它们的亲电、亲核反应方向,讨论了亚烷基锂氟类卡宾H_2C—CLiF的4种构型,论证了该分子中不存在四元环结构、Li—C键以静电作用为主的特性,并预测了加成反应机理。     

硅二极管对高功率微波的非线性响应计算

 考虑二极管内部载流子所满足的非线性、耦合、刚性方程组中可能考虑的因素,利用自得研制的半导体器件模拟程序mPND1D, 对硅二极管在高功率微波激励下的非线性特性进行了数值计算,结果显示出硅二极管对徽波信号响应的非线性。     

X射线TICT在复合材料工件检测中的射束硬化拟合校正研究

X射线TICT中,X射线透射物质时,发生了能谱硬化现象。使图像重建时出现伪影。因此必须进行修正。文中对X射线硬化现象进行了分析,探讨了X射线TICT在检测复合材料工件中, X射线射束和与透射厚度的关系, 并根据Beer定律和X射线与物质作用的特点, 通过获取X射线射束和数据,首先拟合出射束和与透射厚度的关系式, 然后推导出X射线射束和校正为单色射线射束和的等效厚度与透射厚度的关系及其等效方法, 最终得出X射线TICT在检测复合材料工件中X射线等效单色射线的衰减系数的射束硬化拟合值, 再对此衰减系数拟合值进行卷积反投影重构, 即可有效消除X射线TICT在检测复合材料工件中射束硬化造成的影响。     

Measurement of a discontinuous object based on a dual-frequency grating

The dual-frequency grating measurement theory is proposed in order to carry out the measurement of a discontinuous object. Firstly, the reason why frequency spectra are produced by low frequency gratings and high frequency gratings in the field of frequency is analysed, and the relationship between the wrapped-phase and the unwrapping-phase is discussed. Secondly, a method to combine the advantages of the two kinds of gratings is proposed: one stripe is produced in the mutation part of the object measured by a suitable low frequency grating designed by MATLAB, then the phase produced by the low frequency grating need not be unfolded. The integer series of stripes is produced by a high frequency grating designed by MATLAB based on the frequency ratio of the two kinds of gratings and the high frequency wrapped-phase, and the high frequency unwrapping-phase is then obtained. In order to verify the correctness of the theoretical analysis, a steep discontinuous object of 600×600 pixels and 10.00~mm in height is simulated and a discontinuous object of ladder shape which is 32.00~mm in height is used in experiment. Both the simulation and the experiment can restore the discontinuous object height accurately by using the dual-frequency grating measurement theory.     

利用原子-腔场喇曼相互作用制备纠缠压缩真空态

提出了利用量子态腔场与原子的喇曼相互作用制备纠缠压缩真空态的方案.在该方案中,一个初始制备在基态的原子被依次送入几个初始制备在压缩真空态的微腔中.通过控制原子的运行速度,使原子与每一个腔具有相同的相互作用时间.当原子与腔场发生相互作用,原子与腔场产生纠缠之后,进行原子的测量.当原子被测量处于基态或激发态时,按照量子力学波包塌缩原理,腔场态将塌缩到相应的纠缠压缩真空态.对纠缠压缩真空态的纠缠性质也进行了简略的讨论.     

硅二极管对高功率微波的非线性响应计算

考虑二极管内部载流子所满足的非线性、耦合、刚性方程组中可能考虑的因素,利用自得研制的半导体器件模拟程序mPND1D, 对硅二极管在高功率微波激励下的非线性特性进行了数值计算,结果显示出硅二极管对徽波信号响应的非线性。     

电磁脉冲对半导体器件的电流模式破坏

利用时域有限差分（FDTD）方法,对电磁脉冲引起半导体器件的毁坏过程进行了数值模拟,得到了无负载半导体pn结器件在快前沿（ns量级）电磁脉冲作用下的瞬态行为,及由于电流引起的器件烧毁过程中器件参数的变化情况。     

硅二极管I—V特性及二次击穿计算

利用时域有限差分方法，求解了一维半导体器件内总裁 流子所满足的耦合、非线性、刚性偏微分方程组。得出了发生二次击穿的判据应以空穴电离率为准，而不是通常认为的以电子电离率为准的结论，并构造了一种准确，快捷地计算半导体器件反偏Ｉ－Ｖ特性曲线的方法。     

半经验分子轨道法的电子密度拓扑分析(Ⅰ)

在CNDO/2基础上,考虑到内层电子校正,对一些小分子的键鞍点、环鞍点等量子扑学性质做了计算与讨论,取得了和Bader等在从头算基础上的结果定性一致的结论。