苯对N,N-二甲基甲酰胺化合物1H NMR的影响研究

本文研究了N,N-二甲基甲酰胺(DMF)在四氯化碳和苯混合溶剂中的¹H NMR。观察到N,N-二甲基甲酰胺(DMF)分子中两个甲基和混合溶剂中苯的共振吸收峰的化学位移随苯的摩尔分数增加而逐渐移向高场,而且两个甲基共振吸收峰向高场移动的程度不同,α甲基较β甲基为甚。DMF分子中两个甲基和混合溶剂中苯的化学位移可以用线性方程表示(δ=A+Bx),这里x是混合溶剂中苯的摩尔分数。相关系数R接近于-1。     

双液系气－液平衡相图绘制中有关问题的探讨

本文以物理化学实验“苯－乙醇气液平衡相图绘制”为研究对象，对其混合液的浓度调整以期达到再利用进行了探讨，提出了调整方法，进行了实验验证，取得了理想的效果。     

Effect of Magnetic Field and Equilibrium Flow on Rayleigh-Taylor Instability

We investigate the effect of a finite equilibrium flow and magnetic field on the Rayleigh-Taylor instability. It is found that the equilibrium flow only makes a frequency shift of perturbation and the growth rate of the Rayleigh-Taylor instability remains unchanged. However, the magnetic field can change the growth rate and, in particular,a very strong magnetic field suppresses the growth rate.     

非平衡定态相图新概念及其应用——激活低压金刚石气相生长热力学

在激活的低压条件下，金刚石气相稳定生长的同时石墨会被腐蚀．这是近二三十年来国际上的一个热力学难题，甚至被认为是“热力学的悖论”．用非平衡热力学耦合理论可以给予很好的解释，并推导出非平衡定态相图的全新概念．在新型相图中金刚石在低压下是稳定相，而石墨被激活成为亚稳相．理论计算与文献报道的大量实验数据定量化地相符     

晶格反演的嵌入原子法模型及其应用

讨论一种基于晶格反演的嵌入原子法模型 ,其特点是未知函数的参数化是对原子间对势和单原子电荷密度函数的晶格和 ,而不是对原子间对势和单个原子的电荷密度函数进行的 ,其最大优点在于待定参数可以用物理输入解析地表达出来 ,而不是像大多数埋入原子法模型中那样通过拟合来确定 .给出了它在计算点缺陷 (自间隙杂质和空位原子 )和晶体表面形成能方面的应用 .     

神出鬼没的信息武器

信息武器是信息技术催生的产物，主要包括网络武器（Network Weapons）、赛伯武器（Cyberweapon）和黑客武（Blacker Weapons）。信息武器的出现，是武器发展史上的一个转折点，把武器发展导入了一个全新的领域：作战目的追求和人员生命的保护平衡化。     

潜体在非均质流体中的平衡位置与平衡过程

以探空气球为例,讨论潜体在非均质流体中的平衡位置与平衡过程.     

Ab initio calculations of accurate dissociation energy and analytic potential energy function for the second excited state B1∏ of 7LiH

The reasonable dissociation limit of the second excited singlet state B¹∏ of ⁷LiH molecule is obtained. The accurate dissociation energy and equilibrium geometry of the B¹\Pi state are calculated using a symmetry-adapted-cluster configuration--interaction method in full active space. The whole potential energy curve for the B¹∏ state is obtained over the internuclear distance ranging from about 0.10nm to 0.54nm, and has a least-square fit to the analytic Murrell--Sorbie function form. The vertical excitation energy is calculated from the ground state to the B¹∏ state and compared with previous theoretical results. The equilibrium internuclear distance obtained by geometry optimization is found to be quite different from that obtained by single-point energy scanning under the same calculation condition. Based on the analytic potential energy function, the harmonic frequency value of the B¹∏ state is estimated. A comparison of the theoretical calculations of dissociation energies, equilibrium interatomic distances and the analytic potential energy function with those obtained by previous theoretical results clearly shows that the present work is more comprehensive and in better agreement with experiments than previous theories, thus it is an improvement on previous theories.     

Effect of Bias Step on the I-V Curve in Double-Barrier AlGaAs/GaAs/AlGaAs Resonant-Tunnelling Devices

We investigate the non-equilibrium electron transport properties of double-barrier AlGaAs/GaAs/AlGaAs resonant- tunnelling devices in nonlinear bias using the time-dependent simulation technique. It is found that the bias step of the external bias voltage applied on the device has an important effect on the final current-voltage （I - V） curves. The results show that different bias step applied on the device can change the bistability, hysteresis and current plateau structure of the I - V curve. The current plateau occurs only in the case of small bias step. As the bias step increases, this plateau structure disappears.     

含余割核奇异积分修改的反演问题

针对含余害核奇异积分反演问题在指κ＜0时一般无解的情况，本文提出并求解两种修改的反演问题，而后一种修改反演问题的提法与此前类似问题颇不相同，由于运用了推广的留数定理和Bertrand型换序公式使本问题及类似问题解法得以简化。