Truncated Newton method for sparse unconstrained optimization using automatic differentiation

When solving large complex optimization problems, the user is faced with three major problems. These are (i) the cost in human time in obtaining accurate expressions for the derivatives involved; (ii) the need to store second derivative information; and (iii), of lessening importance, the time taken to solve the problem on the computer. For many problems, a significant part of the latter can be attributed to solving Newton-like equations. In the algorithm described, the equations are solved using a conjugate direction method that only needs the Hessian at the current point when it is multiplied by a trial vector. In this paper, we present a method that finds this product using automatic differentiation while only requiring vector storage. The method takes advantage of any sparsity in the Hessian matrix and computes exact derivatives. It avoids the complexity of symbolic differentiation, the inaccuracy of numerical differentiation, the labor of finding analytic derivatives, and the need for matrix store. When far from a minimum, an accurate solution to the Newton equations is not justified, so an approximate solution is obtained by using a version of Dembo and Steihaug's truncated Newton algorithm (Ref. 1).This paper was presented at the SIAM National Meeting, Boston, Massachusetts, 1986.     

混沌实验数据处理及仿真

大学物理实验中混沌实验大多采用观察现象的方法进行,本实验采用蔡氏电路(Chua s circuit)产生混沌行为.在观察不同初始值条件下出现的倍周期分岔、阵发混沌、奇异吸引子等相图及现象的基础上,通过对采集数据进行处理,对负电阻伏安特性进行分段线性拟合,用功率频谱法、计算机仿真方法(龙格-库塔数值积分法)对混沌现象进行描绘,将实验数据与非线性方程组的数值解相结合,呈现出混沌现象的本质.     

Ar?NO团簇的同步辐射光电离研究

利用国家同步辐射实验室合肥光源的真空紫外同步辐射，使NO分子和Ar原子混合物的超声分子束发生光电离，测量了Ar，NO和异类团簇Ar·NO的光电离效率谱. 在谱中，在与Ar原子的共振线对应的能量区域(11.5—12.0 eV)观察到一个强的类共振结构. 这个结果表明，在异类团簇Ar·NO的内部，稀有气体Ar原子的激发能转移到与它接触的分子NO上，使分子NO发生电离. 关键词： Ar·NO团簇 同步辐射 光电离 能量转移     

PVK∶DBVP掺杂体系的能量转移及发光性质的研究

研究了不同比例的PVK与齐聚PPV衍生物DBVP掺杂体系的能量转移和发光特性.通过对PVK,DBVP及PVK:DBVP掺杂体系的UV-vis,PL和PLE光谱的研究,分析了PVK与DBVP之间的能量转移过程.利用PVK在体系中类似于溶剂的分散作用,制备了结构为ITO/PEDOT/PVK:DBVP/LiF/Al的电致发光器件,研究了掺杂体系的电致发光性能.结果表明,在掺杂体系的光致发光和电致发光中,PVK的发射被有效地抑制,PVK与DBVP之间发生了非常有效的能量转移,通过调节PVK与DBVP的比例,可以获得蓝色和绿色发光,同时可以改善器件的发光性能,当PVK与DBVP的重量比为1∶2时,器件的绿色发光效率达到1·06cd/A,此时发光亮度为52cd/m2.     

用能量法求多自由度振动系统的角频率

利用简谐振动能量方程，通过分析振幅矢量的关系，用能量法求多自由度振动系统的角频率或简正振动频率。     

High-order accurate equations describing vibrations of thin bars

A method for deriving one-dimensional wave propagation equations in thin inhomogeneous anisotropic bars based on the mathematical homogenization theory for periodic media is used to obtain equations governing the longitudinal and transverse vibrations of a homogeneous circular bar. The equations are derived up to O(ε⁸) terms and take into account variable body forces and surface loads. Here, ε is the ratio of the bar’s typical thickness to the typical wavelength.     

不完全信息群体决策专家权重的集结

本文对于属性权重信息和属性效用信息都不完全的群体多属性决策问题，通过构造属性值区间和运用系统聚类分析法，对群体决策中的专家进行分类，并确定每位专家的权重．     

Formation and hydrogenation of p(2 × 2)-N on Pt(1 1 1)

The formation of a well-ordered p(2 × 2) overlayer of atomic nitrogen on the Pt(1 1 1) surface and its reaction with hydrogen were characterized with reflection absorption infrared spectroscopy (RAIRS), temperature programmed desorption (TPD), low energy electron diffraction (LEED), Auger electron spectroscopy (AES), and X-ray photoelectron spectroscopy (XPS). The p(2 × 2)-N overlayer is formed by exposure of ammonia to a surface at 85 K that is covered with 0.44 monolayer (ML) of molecular oxygen and then heating to 400 K. The reaction between ammonia and oxygen produces water, which desorbs below 400 K. The only desorption product observed above 400 K is molecular nitrogen, which has a peak desorption temperature of 453 K. The absence of oxygen after the 400 K anneal is confirmed with AES. Although atomic nitrogen can also be produced on the surface through the reaction of ammonia with an atomic, rather than molecular, oxygen overlayer at a saturation coverage of 0.25 ML, the yield of surface nitrogen is significantly less, as indicated by the N₂ TPD peak area. Atomic nitrogen readily reacts with hydrogen to produce the NH species, which is characterized with RAIRS by an intense and narrow (FWHM ∼ 4 cm⁻¹) peak at 3322 cm⁻¹. The areas of the H₂ TPD peak associated with NH dissociation and the XPS N 1s peak associated with the NH species indicate that not all of the surface N atoms can be converted to NH by the methods used here.     

Efficient computation of natural convection in a concentric annulus between an outer square cylinder and an inner circular cylinder

In this work, the natural convection in a concentric annulus between a cold outer square cylinder and a heated inner circular cylinder is simulated using the differential quadrature (DQ) method. The vorticity‐stream function formulation is used as the governing equation, and the coordinate transformation technique is introduced in the DQ computation. It is shown in this paper that the outer square boundary can be approximated by a super elliptic function. As a result, the coordinate transformation from the physical domain to the computational domain is set up by an analytical expression, and all the geometrical parameters can be computed exactly. Numerical results for Rayleigh numbers range from 104 to 106 and aspect ratios between 1.67 and 5.0 are presented, which are in a good agreement with available data in the literature. It is found that both the aspect ratio and the Rayleigh number are critical to the patterns of flow and thermal fields. The present study suggests that a critical aspect ratio may exist at high Rayleigh number to distinguish the flow and thermal patterns. Copyright © 2002 John Wiley & Sons, Ltd.     

聚丙烯孔洞铁电驻极体膜的电极化及其电荷动态特性

根据栅控恒压电晕充电组合反极性电晕补偿充电法的实验结果计算出铁电驻极体的极化强度.结果说明，伴随着薄膜内孔洞气体的Paschen击穿，该铁电体的极化强度随栅压增加而显著上升.利用上述充电方法和热刺激放电(TSD)谱的分析讨论了这类空间电荷型宏观电偶极子，及与其补偿的空间电荷热退极化的电荷动态特性；阐明了这两类俘获电荷的能阱分布，即构成宏观电偶极子的位于孔洞上下介质层内的等值异号空间电荷分别被俘获在深、浅两种能值陷阱内，而位于薄膜表面层的注入空间电荷则被俘获在中等能值陷阱中. 关键词： 反极性电晕补偿充电法 铁电驻极体 充电电流 热刺激放电