Complete graph conjecture for inner-core electrons: homogeneous index case

The complete graph conjecture that encodes the inner-core electrons of atoms with principal quantum number n >or= 2 with complete graphs, and especially with odd complete graphs, is discussed. This conjecture is used to derive new values for the molecular connectivity and pseudoconnectivity basis indices of hydrogen-suppressed chemical pseudographs. For atoms with n = 2 the new values derived with this conjecture are coincident with the old ones. The modeling ability of the new homogeneous basis indices, and of the higher-order terms, is tested and compared with previous modeling studies, which are centered on basis indices that are either based on quantum concepts or partially based on this new conjecture for the inner-core electrons. Two similar algorithms have been proposed with this conjecture, and they parallel the two "quantum" algorithms put forward by molecular connectivity for atoms with n > 2. Nine properties of five classes of compounds have been tested: the molecular polarizabilities of a class of organic compounds, the dipole moment, molar refraction, boiling points, ionization energies, and parachor of a series of halomethanes, the lattice enthalpy of metal halides, the rates of hydrogen abstraction of chlorofluorocarbons, and the pED(50) of phenylalkylamines. The two tested algorithms based on the odd complete graph conjecture give rise to a highly interesting model of the nine properties, and three of them can even be modeled by the same set of basis indices. Interesting is the role of some basis indices all along the model.     

On affine scaling algorithms for nonconvex quadratic programming

We investigate the use of interior algorithms, especially the affine-scaling algorithm, to solve nonconvex — indefinite or negative definite — quadratic programming (QP) problems. Although the nonconvex QP with a polytope constraint is a hard problem, we show that the problem with an ellipsoidal constraint is easy. When the hard QP is solved by successively solving the easy QP, the sequence of points monotonically converge to a feasible point satisfying both the first and the second order optimality conditions.Research supported in part by NSF Grant DDM-8922636 and the College Summer Grant, College of Business Administration, The University of Iowa.     

Numerical solution of minimax problems of optimal control,part 1

This paper contains general transformation techniques useful to convert minimax problems of optimal control into the Mayer-Bolza problem of the calculus of variations [Problem (P)]. We consider two types of minimax problems: minimax problems of Type (Q), in which the minimax function depends on the state and does not depend on the control; and minimax problems of Type (R), in which the minimax function depends on both the state and the control. Both Problem (Q) and Problem (R) can be reduced to Problem (P).For Problem (Q), we exploit the analogy with a bounded-state problem in combination with a transformation of the Jacobson type. This requires the proper augmentation of the state vectorx(t), the control vectoru(t), and the parameter vector , as well as the proper augmentation of the constraining relations. As a result of the transformation, the unknown minimax value of the performance index becomes a component of the parameter vector being optimized.For Problem (R), we exploit the analogy with a bounded-control problem in combination with a transformation of the Valentine type. This requires the proper augmentation of the control vectoru(t) and the parameter vector , as well as the proper augmentation of the constraining relations. As a result of the transformation, the unknown minimax value of the performance index becomes a component of the parameter vector being optimized.In a subsequent paper (Part 2), the transformation techniques presented here are employed in conjunction with the sequential gradient-restoration algorithm for solving optimal control problems on a digital computer; both the single-subarc approach and the multiple-subarc approach are discussed.This research was supported by the National Science Foundation, Grant No. ENG-79-18667, and by Wright-Patterson Air Force Base, Contract No. F33615-80-C3000. This paper is a condensation of the investigations reported in Refs. 1–7. The authors are indebted to E. M. Coker and E. M. Sims for analytical and computational assistance.     

高空核电磁脉冲模拟波形的双指数函数拟合法

 许多标准和公开出版物中都用双指数函数描述高空核电磁脉冲典型波形。通过数值方法，研究了双指数函数一项重要的性质。根据该性质，详细讨论了高空核电磁脉冲模拟波形数值拟合中，双指数函数特征参数与脉冲峰值、前沿、后沿以及半宽等物理参数的关系，从而提出一种简单有效的脉冲参数计算方法。通过IEC标准中规定的高空核电磁脉冲参数的估计与一个实测高空核电磁脉冲模拟波形的数值拟合，验证了该方法的有效性和可靠性。该方法能够适应多种峰值、前沿和半宽的高宽核电磁脉冲模拟波形的数值拟合。     

正方形自聚焦透镜光线理论研究

针对正方形自聚焦透镜折射率分布特点,引入方向角概念,以平方律表征其折射率分布.从理论上研究了平方律折射率分布下正方形自聚焦透镜的光线轨迹方程,得到了子午光线表达式.结果表明,与传统径向自聚焦透镜相比,正方形自聚焦透镜的光线轨迹受光线入射方向角影响,会产生较大像差.得到了正方形自聚焦透镜数值孔径表达式,表明数值孔径并非常量,且与方向角密切相关.计算了中心轴上的最大数值孔径,方向角为0°时最小为0.405,方向角为45°时最大值0.5以上.     

湍流大气中高斯光束焦移的数值模拟研究

采用数值模拟方法对聚焦高斯光束在湍流大气中传输的焦移进行了研究.结果表明:湍流大气中高斯光束的焦点不再位于真空焦点位置,而是向发射点移动,且前移的幅度随湍流强度的增大而增大,这与理论预计结果一致.引用焦深概念描述光束在焦点附近的准直特性,结果显示:在弱起伏和中等强度起伏情况下,光束的焦深随着湍流强度的增大而增大,焦点附近光束准直度提高;在中等和强起伏情况下,光束在焦点附近高度准直.     

激光湍流大气传输数值模拟中计算参量的选取

根据抽样原则、湍流介质特性、湍流效应和光传播效应等全面分析了网格间距、相屏间距和网格数目等关键计算参量选取的基本要求.通过数值计算,分析各种要求的可行性,表明在具体的数值模拟过程中,并非所有要求都能同时满足,若严格按照要求选择计算参量,所需的计算量常超出计算机负荷范围.结合具体数值计算,综合考虑计算机承受能力和计算准确度,给出了一种可靠实用的计算参量选取思路和方案.     

用遗传算法构造光正交码

提出了一种利用遗传算法构造任意码长、码重、自相关限、互相关限光正交码(GA-OOC)的方法,设计了新的码字矩阵;分析了基于GA-OOC的光CDMA系统的误码率性能。仿真结果表明:该算法具有构造算法简单、易于编程实现的特点;与基于PC,EPC,QC和BIBD-OOC的光码分多址系统相比,GA-OOC的光码分多址系统具有更好的误码率性能。GA-OOC有望用于构造二维光地址码。