离散零空间算法在机织物仿真中的应用

针对机织物卡尔丹角多体模型维数较高,计算效率不理想的问题,提出采用离散零空间算法降低多体动力学方程维数,减少计算复杂度和约束违约所导致的数值漂移.首先结合离散零空间等效变换消去拉格朗日乘子项,然后进行结点参数化,实现两次系统降维,提高机织物仿真速度.通过KES剪切试验与仿真,验证了上述算法应用的可行性.通过仿真计算复杂度及效率特征指标对比,反映出优化方程的降维优势和计算高效,尤其适用于大型织物仿真.     

Variable partial-update NLMS algorithms with data-selective updating

We note that some existing algorithms are based on the normalized least-mean square （NLMS） algorithm and aim to reduce the computational complexity of NLMS all inherited from the solution of the same optimization problem, but with different constraints. A new constraint is analyzed to substitute an extra searching technique in the set-membership partial-update NLMS algorithm （SM-PU-NLMS） which aims to get a variable number of updating coefficients for a further reduction of computational complexity. We get a closed form expression of the new constraint without extra searching technique to generate a novel set-membership variable-partial-update NLMS （SM-VPU-NLMS） algorithm. Note that tile SM-VPU-NLMS algorithm obtains a faster convergence and a smaller mean-squared error （MSE） than the existing SM-PU-NLMS. It is pointed out that the closed form expression can also be applied to the conventional variable-step-size partial-update NLMS （VSS-PU-NLMS） algorithm. The novel variable-step-size variable-partial-update NLMS （VSS-VPU-NLMS） algorithm is also verified to get a further computational complexity reduction. Simulation results verify that our analysis is reasonable and effective.     

大宁调蓄水库蓄水后生态环境效益分析

南水北调工程的建成通水,改变了北京城市供水格局,给北京带来了巨大的效益,生态环境效益就是其中重要一环。分析北京市南水北调配套工程生态环境效益的组成,科学地计算和评估生态效益,对于未来北京市南水北调配套工程效益的发挥、工程的运行管理、首都水务事业的发展有着重要意义,大宁调蓄水库是北京市南水北调配套工程之一,经计算,大宁调蓄水库蓄水后生态环境总效益为34176.29万元。计算方法也可为类似工程生态环境效益的估算提供参考。     

面向需求不确定的混装线物流车辆配送区域划分方法

静态的物流车辆调度方案难以适应需求不确定引起的混流装配线物料需求动态变化,导致配送效率低下,甚至生产流程紊乱等问题。针对此问题,提出了一种面向需求不确定的混流装配线物流车辆配送区域划分方法。首先,分析需求不确定对物流车辆配送量的影响,提出了基于信息熵的配送任务复杂性测度方法。其次,在复杂性测度的基础上,建立以物流配送车辆满载率最大、配送任务复杂度最小为目标的调度优化模型。最后,在实例中应用遗传算法对调度优化模型进行求解,得出物流车辆配送区域最优划分方案。结果表明,所提方法能够输出适应需求不确定的物流车辆配送区域划分方案,满足需求变化的同时,保证车辆满载率维持在最高水平,并降低配送任务复杂度,减少配送错误发生率。     

基于Hash算法的DNA序列k-mer index问题的数学建模

针对查找DNA序列的相似序列问题,给出了建立索引和查找索引的数学模型,基于Hash算法,建立了依赖于k值大小的顺序索引模型和散列索引模型,特别对较大k值选用了DJBHash函数,有效的避免了Hash冲突问题。最后在硬件平台CPU为2.6GHz、内存为8G、操作系统为64位Windows 7的条件下,对100万条长度为100的DNA序列进行了测试,给出了不同k值下建立和查询索引的用时和占用内存情况,有效的解决了DNA序列的k-mer index问题。     

2n周期优秀二元序列生成及其特性分析简

The 2ⁿ-periodic binary sequence with high linear complexity and high k-error linear complexity is defined as an excellent sequence. We design a genetic algorithm for generating excellent sequences and studying their features. Choosing the N-periodic binary sequences, where N=8, 16, 32, k=N/4, we search the resulted sequences by the genetic algorithm with various parameters, and compute the linear complexity profiles of results sequences by using the Lauder-Paterson algorithm, to confirm that the obtained sequences are the real excellent sequences. By numerous experiments, we speculate that the k-error linear complexity of the N-periodic binary excellent sequence meets the formula LC_k(S)≤N-2k+1, when k=N/4、N/8 (we also do experiments on sequences with periods 64, 128 and 256). By the brute-force method we obtain that the proportion of the excellent sequence in all binary sequences of the same period is 1/4.     

Effects of expanding zone parameters of vacuum dust suction mouth on flow simulation results

Based on the parametric analysis of the expanding zone of the vacuum dust suction mouth, the flow in the vacuum dust suction mouth was simulated by computational fluid dynamics （CFD） software, Fluent. The effects of the expanding zone parameters on flow simulation were analyzed. The results show that simulation effects depend on threshold values of the expanding zone parameters of the dust suction mouth, and the threshold values of the expanding zone can be obtained according to the different structures of the vacuum dust suction mouth and be selected as the geometric parameters in calculating, and also corners of the expanding zone make unobvious difference in calculation accuracy and in computational efficiency compared with no corner. The simulation results provide practical guidance to the flow simulation on the dust suction mouth.     

Molecular dynamics simulations of enantiomeric separations as an interfacial process in HPLC

Since chromatographic separation is a dynamic process, with the interactions between the drug and the chiral stationary phase mediated by the solvent, no single interacting structure, such as could be found by minimizing the energy, could possibly describe and account for the ratio of residence times in the chromatographic column for the enantiomeric pair. We describe the use of explicit-solvent fully atomistic molecular dynamics simulations, permitting all the interactions between the atoms constituting the chiral stationary phase, solvent molecules and the drug molecule. This allows us to better understand the molecular dynamic chiral recognition that provides the discrimination, which results in the separation of enantiomers by high performance liquid chromatography. It also provides a means of predicting, for a given set of conditions, which enantiomer elutes first and an estimate of the expected separation factor. In this review, we consider the use of molecular dynamics toward this understanding and prediction.     

微反应器中费托合成的研究进展

目前费托合成常用的固定床、浆态床和流化床三种反应器存在不同程度的传质和传热问题,同时反应物/产物与催化剂难以分离,而微反应器因其可在接近等温和很小压降条件下进行反应,从而有望改善费托合成的反应性能,提高所用催化剂的活性和选择性。本文首先介绍了微反应器的结构和特性,然后从催化剂种类及其在微反应器中颗粒装填式和器壁涂覆式两种形式简述了微反应器中费托合成的实验研究,并从计算流体力学和动力学研究等方面简述了微反应器中费托合成的模拟计算。     

A computational fluid dynamic analysis of gas and particle flow in flame spraying

The flame spraying process, which is a common industrial thermal spraying application, has been analyzed by means of three-dimensional computational fluid dynamics (CFD) simulations. The process used at the Volvo Aero Corporation for the coating of fan and compressor housings has been modeled. The process uses the Metco 6P torch (Metco, Westbury, NY), which ejects a mixture of acetylene and oxygen at high speed through a ring of 16 orifices to form the flame. A stream of argon gas flowing through an orifice in the center of the ring carries a powder of nickel-covered bentonite through the flame to the spray substrate. The torch is cooled by a flow of air through an outer ring of 9 orifices. The simulation emulated reality closely by including the individual inlets for fuel, cooling air, and injected particles. The gas combustion was simulated as a turbulent, multicomponent chemically reacting flow. The standard, two-equation k-ε turbulence model was used. The chemical reaction rates appeared as source terms in the species transport equations. They were computed from the contributions of the Arrhenius rate expressions and the Magnussen and Hjertager eddy dissipation model. The first simulations included several intermediate chemical substances whose predicted concentration agreed favorably with measurements. Later, more simplified simulations incorporated only the global chemical reaction involving the initial and the final products, with corrections to the thermal properties being made to account for the missing intermediaries. The gas velocity and temperature fields predicted by the later simulations compared satisfactorily to those predicted by the earlier, more elaborate, ones. Therefore, the final simulations, which incorporated injected particles, were conducted employing the simplified model with only the global reaction. An in-house finite difference code was developed to calculate particle properties. Allowance was made for elliptical shapes, phase changes, and internal heat transfer with regard to the composite material. The particle velocities and temperatures predicted by the final simulations compared fairly well with experimental results obtained with the optical DPV2000 system.