Impact of defects on the decomposition of chemical warfare agent simulants in Zr-based metal organic frameworks

Metal organic frameworks (MOFs) containing zirconium secondary building units (SBUs) in UiO-67 and related MOFs, are highly active for neutralizing both the chemical warfare agents and simulants, such as dimethyl methylphosphonate (DMMP). However, two recent publications gave conflicting reports of DMMP reaction with UiO-67 under ultra high vacuum (UHV) conditions, with one reporting chemisorption and reaction (Wang et al., J Phys Chem C, 2017, 121, 11261–11272) and the other reporting only physisorption and reversible desorption (Ruffley et al., J Phys Chem C, 2019, 123, 19748–19758) from very similar temperature programmed desorption experiments. We show that the discrepancy between these experiments may be explained by different levels of missing linker defects in the UiO-67 samples. We present density functional theory calculations showing that SBU sites having two-adjacent missing linkers exhibit reaction barriers that are about 30 kJ/mol lower than SBU sites having a single missing linker. We also show that topology of the undercoordinated sites plays an important role in the reaction barrier under UHV conditions.     

Multiphase topology optimization with a single variable using the phase-field design method

In this study, a multimaterial topology optimization method using a single variable is proposed by combining the solid isotropic material with penalization method and the reaction-diffusion equation. Unlike ordinary multimaterial optimization, which requires several variables depending on the number of material types, this method intends to represent various materials as one variable. The proposed method combines two special functions in the sensitivity analysis of the objective function to converge the design variable into prespecified density values defined for each of the multimaterials. The composition constraint based on a normal distribution function is also introduced to estimate the distribution of each target density value in a single variable. It enables density exchange between multiple materials by increasing or decreasing the amount of a specific material. The proposed method is applied to structural and electromagnetic problems to verify its effectiveness, and its usefulness is also confirmed from the viewpoint of cost and computation time.     

基于FAHP的机械振动WSN均衡拓扑构建方法

针对机械振动无线传感器网络因拓扑不均衡导致传输时延和网络传输能耗增加的问题,提出了一种基于模糊层次分析(fuzzy analytic hierarchy process,简称FAHP)的均衡拓扑构建方法,该方法由构建模糊判断矩阵和计算权重向量组成。首先,传感器节点进行簇内通信获取信标广播信息,将信标节点网络决策因子统一量纲化,利用网络决策因子构建模糊判断矩阵;其次,检验模糊判断矩阵一致性,采用行和归一化处理或拉格朗日最小二乘法计算权重向量;最后,传感器节点通过权重向量计算出各个信标节点综合权值,关联最优信标节点为父节点加入网络,将提出的模糊层次分析拓扑构建方法与基于链路质量单准则构建网络拓扑机制进行对比。实验结果表明,该方法能有效改善传输时延和机械振动无线传感器节点网络寿命。     

An engineering method for complex structural optimization involving both size and topology design variables

This work presents an engineering method for optimizing structures made of bars, beams, plates, or a combination of those components. Corresponding problems involve both continuous (size) and discrete (topology) variables. Using a branched multipoint approximate function, which involves such mixed variables, a series of sequential approximate problems are constructed to make the primal problem explicit. To solve the approximate problems, genetic algorithm (GA) is utilized to optimize discrete variables, and when calculating individual fitness values in GA, a second-level approximate problem only involving retained continuous variables is built to optimize continuous variables. The solution to the second-level approximate problem can be easily obtained with dual methods. Structural analyses are only needed before improving the branched approximate functions in the iteration cycles. The method aims at optimal design of discrete structures consisting of bars, beams, plates, or other components. Numerical examples are given to illustrate its effectiveness, including frame topology optimization, layout optimization of stiffeners modeled with beams or shells, concurrent layout optimization of beam and shell components, and an application in a microsatellite structure. Optimization results show that the number of structural analyses is dramatically decreased when compared with pure GA while even comparable to pure sizing optimization.     

变邻域量子烟花算法求解CVRP

针对带容量约束的车辆路径问题，提出一种融合量子进化算法和变邻域优化策略的变邻域量子烟花算法。该算法采用等分随机键与最大位置法结合的实数编码方式，通过量子旋转门和非门变异提高算法全局搜索能力，同时运用结合2-Opt的变邻域优化策略加强局部搜索能力。选取17个基准算例进行参数实验和对比实验，实验结果表明，相对于对比算法，所提出的算法具有较好的寻优能力和收敛速度。     

折臂式随车起重机转台的拓扑优化设计

为了使折臂式随车起重机转台在最大应力不超过材料许用应力的前提下实现轻量化设计的目的,通过ADAMS软件仿真确定其极限工况,对转台进行静力学分析及拓扑优化。通过拓扑优化得到了理想的材料分布。基于优化结果调整转台结构,并对改进后的转台进行静力学分析。结果表明,优化后的转台能够满足实际的使用需求。同时,转台质量降低了12%,证明了优化设计的有效性和可行性,并为折臂式随车起重机的相关设计提供了一定的借鉴。     

Void region restriction for additive manufacturing via a diffusion physics approach

A longstanding challenge in additive manufacturing (AM), the presence of void regions in additively manufactured components, causes two main issues: the enclosing of build material powder in powder bed fusion techniques and limiting tool access in critical post-processing operations to remove sacrificial support structures. As topology optimization has embraced and overcome many of the obstacles of incorporating AM constraints into the underlying numerical optimization statement, there exist few solutions that directly address this fundamental void region issue. By developing computationally efficient and effective solutions to this problem, the integration of these two advanced technologies can be fully realized. Drawing on inspiration from the principles of diffusion physics, a particle diffusion void restriction (PDVR) method is presented in this work that is capable of encouraging the optimization scheme to generate final designs that are fully accessible. Additionally, this method empowers the user to choose the type of post-processing method to clear support material (eg, three-axis or five-axis milling operations, number and orientation of part set-ups) and, therefore, quantify the level of costs associated with the post-processing operation. The PDVR optimization framework is demonstrated on multiple two- and three-dimensional test problems, with physically manufactured examples depicting the real-world benefits this method admits.     

Clustering biomedical and gene expression datasets with kernel density and unique neighborhood set based vein detection

It is a crucial need for a clustering technique to produce high-quality clusters from biomedical and gene expression datasets without requiring any user inputs. Therefore, in this paper we present a clustering technique called KUVClust that produces high-quality clusters when applied on biomedical and gene expression datasets without requiring any user inputs. The KUVClust algorithm uses three concepts namely multivariate kernel density estimation, unique closest neighborhood set and vein-based clustering. Although these concepts are known in the literature, KUVClust combines the concepts in a novel manner to achieve high-quality clustering results. The performance of KUVClust is compared with established clustering techniques on real-world biomedical and gene expression datasets. The comparisons were evaluated in terms of three criteria (purity, entropy, and sum of squared error (SSE)). Experimental results demonstrated the superiority of the proposed technique over the existing techniques for clustering both the low dimensional biomedical and high dimensional gene expressions datasets used in the experiments.     

浅谈高压变频调速变压器及高压变频系统结构

介绍了高压变频调速变压器及高压变频器系统的基本原理及结构,详细论述了系统各组成部分的功能,并进行了举例说明。     

基于第三方物流的家具配送开放式车辆路径问题

为了降低家具配送成本,提高物流效率,基于第三方物流配送模式,构建了以总行驶距离最短和车辆数最少为最优目标的开放式车辆路径问题(open vehicle routing problem,OVRP)数学模型,并设计了一个改进的两阶段禁忌搜索算法进行求解,第1阶段求解包含所有客户的TSP(traveling salesman problem)路径来作为第2阶段划分OVRP路径的基础.设计了一个随机动态禁忌表,并将"邻域算子编号"和"邻域交换点对"同时作为禁忌对象,避免了过度禁忌的情况.另外,对5个邻域算子进行了测试,表明采用由点交换、分序点插入、点逆序和前点前向插入这4个算子组成的多邻域结构体效果最佳.经算例测试和文献对比,验证了设计算法的有效性,采用第三方物流配送比自营物流配送更节省成本.