Spatially restricted Double Z-Simplified Box Orbital basis sets: Optimization and comparison with some standard basis sets

As part of previous studies, we introduced a new type of basis function named Simplified Box Orbitals (SBOs) that belong to a class of spatially restricted functions which allow the zero differential overlap (ZDO) approximation to be applied with complete accuracy. The original SBOs and their Gaussian expansions SBO-3G form a minimal basis set, which was compared to the standard Slater-type orbital basis set (STO-3G). In the present paper, we have developed the SBO basis functions at double-zeta (DZ) level, and we have assessed the option of expanding the SBO-DZ as a combination of Gaussian functions. Finally, we have determined the quality of the new basis set by comparing the molecular properties calculated with SBO-nG with those achieved with some standard basis sets.     

基于相场描述的拉压不对称强度结构拓扑优化

运用了基于相场描述的拓扑优化方法，来寻找在拉伸和压缩中表现出不对称强度行为的连续体结构的最优布局。依据Drucker-Prager屈服准则和幂率插值方案，优化问题可以描述为在局部应力约束下的最小化结构的体积。用qp放松法来解决应力约束的奇异性，并采用基于P-norm函数的聚合方法对应力约束进行凝聚，该方法实现了约束个数的降低，同时引入了稳定转化法来处理大量的局部应力约束和高度非线性的应力行为，以修正应力，提高优化收敛的稳定性。在优化问题求解时，使用拉格朗日乘子法对目标函数和应力约束进行处理。利用伴随变量法进行灵敏度分析，并通过求解Allen-Cahn方程更新相场函数设计变量。数值算例证明了该优化模型和相应数值技术的有效性，相关算例还揭示了考虑拉压不同强度和考虑同拉压强度约束时得到的结构优化拓扑构型具有显著的差异。     

简支及悬臂箱梁在角隅轴向荷载作用下的翼板纵向应力

基于能量变分原理，拟定轴向荷载作用下箱梁的纵向位移函数，得到关于翼板剪切变形引起的位移差函数的基本微分方程，继而推导出箱梁翼板纵向应力表达式，并首次得出角隅轴向荷载作用下翼板出现应力不均匀分布的荷载及边界条件。通过对一模型箱梁进行计算，并与通用有限元软件ANSYS壳单元计算结果进行比较，验证了该方法和所推导公式的正确性。研究结果表明，当作用于简支箱梁截面角隅处的轴向荷载（合力无偏心）为集中或分布荷载时，翼板不产生纵向应力不均匀现象；当作用于悬臂箱梁截面角隅处的轴向荷载（合力无偏心）为集中荷载时，翼板不产生纵向应力不均匀现象，而当荷载轴向分布时，翼板将产生纵向应力不均匀现象。实际工程中，横力弯曲使悬臂箱梁产生剪力滞效应，这种效应会与轴向分布荷载产生的效应叠加，设计时对此应予以充分考虑。     

Order acceptance and scheduling with machine availability constraints

We consider an order acceptance and scheduling model with machine availability constraints. The manufacturer (machine) is assumed to be available to process orders only within a number of discontinuous time intervals. To capture the real-life behavior of a typical manufacturer who has restrictions of time availability to process orders, our model allows the manufacturer to reject or outsource some of the orders. When an order is rejected or outsourced, an order-dependent cost of penalty will occur. The objective is to minimize the makespan of all accepted orders plus the total penalty of all rejected/outsourced orders. We study the approximability of the model and some of its important special cases.     

A note on functional a posteriori estimates for elliptic optimal control problems

In this work, new results on functional type a posteriori estimates for elliptic optimal control problems with control constraints are presented. More precisely, we derive new, sharp, guaranteed, and fully computable lower bounds for the cost functional in addition to the already existing upper bounds. Using both, the lower and the upper bounds, we arrive at two‐sided estimates for the cost functional. We prove that these bounds finally lead to sharp, guaranteed and fully computable upper estimates for the discretization error in the state and the control of the optimal control problem. First numerical tests are presented confirming the efficiency of the a posteriori estimates derived. © 2016 Wiley Periodicals, Inc. Numer Methods Partial Differential Eq 33: 403–424, 2017     

均衡约束数学规划问题的一种新的约束规格

本文研究了均衡约束数学规划(MPEC)问题.利用其弱稳定点,获得了一种新的约束规格–MPEC的伪正规约束规格.用一种简单的方式,证明了该约束规格是介于MPEC-MFCQ(即MPEC,Mangasarian-Fromowitz约束规格)与MPEC-ACQ(即MPEC,Abadie约束规格)之间的约束规格,因此该约束规格也可以导出MPEC问题的M-稳定点.最后通过两个例子,说明了该约束规格与MPEC-MFCQ以及与MPEC-ACQ之间是严格的强弱关系.     

一类具有资源约束和优先加工顺序约束极小化加权总完工时间调度优化问题研究

本文针对工件间具有链状优先约束和relocation资源约束的极小化加权总完工时间调度优化问题展开研究.针对这一NP难问题,利用relocation约束的性质和贪婪算法的思想,设计了一个多项式近似算法,并证明了当链不可中断,每个链具有相同工件数和工件间具有相同加工时间时,2为该算法的紧界.     

带1-范数约束的分裂可行问题的投影算法

本文主要研究带1-范数约束的分裂可行问题的求解算法.用一种交替投影算法,求得了问题的解,提出松弛交替投影算法,改进了直接往闭凸集上投影这一不足,并证明了该算法的收敛性.     

SDEs with constraints driven by semimartingales and processes with bounded p-variation

We study the existence, uniqueness and stability of solutions of general stochastic differential equations with constraints driven by semimartingales and processes with bounded $p$-variation. Applications to SDEs with constraints driven by fractional Brownian motion and standard Brownian motion are given.