偏硅酸钙中Pr3+的4f5d态的光谱特性及Pr3+→Gd3+的能量传递

合成了高效发射UV光的CaSiO3:Pr^3 新型荧光体，研究了室温下Pr^3 的4f5d态的发射和激发光谱，Pr^3 的4f5d态的最低子能级向4f^2组态的^3H4，^3H6和^1G4能级跃迁产生UV发射，并不伴随有4f-4f能级跃迁的可见光发射。Pr^3 的浓度猝灭是由于辐射和无辐射能量传递造成的，同时，在CaSiO3中，存在Pr^3 →Cd^3 的能量传递，探讨了其能量传递特性。     

Assigning patients to nurses in neonatal intensive care

An intensive care nursery provides health care for critically ill newborn infants. During a typical shift, infants range from those needing only occasional care to those requiring constant attention. At the beginning of each shift, the head nurse groups the patients for assignment to staff nurses. Typically each nurse cares for one group of infants throughout the shift. The large variation in infant conditions along with several complicating side constraints makes it difficult to develop balanced nurse work loads. We develop a mathematical programming approach for achieving better workload balance. We first develop a detailed neonatal acuity system that quantifies the nursing workload of each patient. We then develop an integer linear program that assigns patients to nurses while balancing nurse workloads. Because this model is computationally intractable, we develop a heuristic that exploits the fact that most nurseries are divided into a number of physical zones. We use ten case studies taken from a major university hospital to benchmark the performance of this heuristic. We also perform a designed experiment using randomly generated problems that examines the effect of nursery parameters on heuristic performance.     

Fleet configuration subject to stochastic demand: an application in the distribution of liquefied petroleum gas

We study the problem of configuring a fleet, in which vehicles receive information on-line about the demand that they should fulfil while they are on the road. In each district it must be decided the number of vehicles and their capacity. The objective function is to minimise the operational cost subject to constraints for the minimum delivery capacity, the maximum vehicle size and the average waiting time for customers. The last constraint is modelled as a queuing system that is adjusted according to the simulation of the delivery process of a Chilean company that distributes liquefied petroleum gas in portable cylinders. We provide the analytical form of all the components of the model, so it can be solved using a standard non-linear programming package. We show that the fleet may increase its sales by 3% and reduce the waiting time of customers 10% by allowing a set of vehicles to share the buffer of orders rather than having vehicles to exclusively serve smaller sectors.     

自由基-分子反应:F+Propene(CH2CHCH3)的从头算研究

采用从头算CCSD(T)/6-311 G(2d,2p)//B3LYP/6-311G(d,p)方法,研究了自由基-分子反应F CH2CHCH3的各种不同的反应通道．该反应主要是通过复合物形成机制进行,即F分别加到碳碳双键的两端形成自由基复合物1和2．这两种亚稳态自由基会解离成三种产物:H C3H5F、CH3 C2H3F和HF C3H5．理论计算结果表明,生成CH3 C2H3F是反应的主要通道,而生成H C3H5F和HF C3H5对产物也有一定的贡献．这一结果和实验符合得很好．     

Ab Initio Study on the Isomerization and Dehydrogenation of Methylnitrene

The ab initio calculations were performed at the RHF/4-31G level with the reaction pathways of the iso-merization and dehydrogenation of methylnitrene by the intrinsic reaction coordinate method. The results show that the transformation from methylnitrene to methylenimine would be very easy. This accountes for the experimental fact that one couldn' t find the methylnitrene, but only obtained the methylenimine in the pyrolysis of methyl azide. The mode-selective study reveals the reaction coordinates (IRC) of isomerization and dehydrogenation of methylnitrene are associated with the molecular deformation mode of 1191 cm-1 and the methyl group unsymmetrical stretch mode, respectively. The coupling between normal coordinates is favourable to select the reaction channel of isomerization.     

高性能ZnO纳米块体材料的制备及其拉曼光谱学特征

利用六面顶高压设备制备了高密度、低脆性、纳米级的ZnO块体材料，用MDI/JADE5 X射线衍射仪(Cu靶)和XL30S-FEG场发射扫描电子显微镜对高压样品的相组成、晶粒尺寸及微观形貌进行了表征.利用E55+FRA106/5傅里叶变换激光拉曼光谱仪通过ZnO块体样品位于50—500cm^-1之内的拉曼光谱, 研究了极性半导体纳米材料的拉曼光谱学特征.发现在极性半导体ZnO纳米块体材料中，没有出现明显的尺寸限制效应. 关键词： ZnO纳米块体 拉曼光谱 尺寸限制效应     

长波长大应变InGaAs/InGaAsP分布反馈激光器的材料生长与器件制备

采用低压金属有机化合物气相沉积法(LP-MOCVD)生长并制作了1.6—1.7μm大应变InGaAs/InGaAsP分布反馈激光器.采用应变缓冲层技术，得到质量良好的大应变InGaAs/InP体材料.器件采用了4个大应变的量子阱，加入了载流子阻挡层改善器件的温度特性.1.66μm和1.74μm未镀膜的3μm脊型波导器件阈值电流低(小于15mA)，输出功率高(100mA时大于14mW).从10—40℃，1.74μm激光器的特征温度T₀=57K，和1.55μm InGaAsP分布反馈激光器的特征温度相当. 关键词： MOCVD InGaAs/InGaAsP 应变量子阱 分布反馈激光器     

Scheduling multi-stage parallel-processor services to minimize average response time

The problem of scheduling on a multi-stage parallel-processor architecture in computer centres is addressed with the objective of minimizing average completion time of a set of requests. The problem is modelled as a flexible flowshop problem for which few heuristics exist in the flowshop scheduling literature. A new three-phase heuristic is proposed in this paper. An extensive computational experiment has been conducted to compare the performance of the existing heuristics and the proposed heuristic. The results indicate that the proposed heuristic significantly outperforms the existing ones. More specifically, the overall average error of the best existing heuristic is about five times that of the proposed heuristic while the overall average CPU time of the proposed heuristic is about half of the best existing one. More importantly, as the number of requests increases, the CPU time of the proposed heuristic decreases considerably (compared to the best existing heuristic) while the ratio of the error (of the best existing to the proposed heuristic) of about five times remains almost the same.     

倒置结构锥形束计算机层析的精确成像与Grangeat算法实现

研究了一种新的圆加垂直单弧段的锥顶轨迹的锥形束计算机层析（CT）的完全性条件和精确重建的Grangeat方法，提出了倒置结构锥形束计算机层析的便于实现的圆加垂直多弧段的成像结构及进行精确重建的完全性条件。利用倒置成像结构与现有成像结构之间的等价关系，给出了倒置结构锥形束计算机层析的重建算法。最后，对上述几方面进行了计算机模拟。     

A Lagrangean heuristic algorithm for disassembly scheduling with capacity constraints

This paper considers the problem of determining the disassembly schedule (quantity and timing) of products in order to satisfy the demand of their parts or components over a finite planning horizon. The objective is to minimize the sum of set-up, disassembly operation, and inventory holding costs. As an extension of the uncapacitated versions of the problem, we consider the resource capacity restrictions over the planning horizon. An integer program is suggested to describe the problem mathematically, and to solve the problem, a heuristic is developed using a Lagrangean relaxation technique together with a method to find a good feasible solution while considering the trade-offs among different costs. The effectiveness of the algorithm is tested on a number of randomly generated problems and the test results show that the heuristic suggested in this paper can give near optimal solutions within a short amount of computation time.