Effects of chain flexibility on polymer conformation in dilute solution studied by lattice Monte Carlo simulation

Effects of chain flexibility on the conformation of homopolymers in good solvents have been investigated by Monte Carlo simulation. Bond angle constraint coupled with persistence length of polymer chains has been introduced in the modified eight-site bond fluctuation simulation model. The study about the effects of chain flexibility on polymer sizes reveals that the orientation of polymer chains under confinement is driven by the loss of conformation entropy. The conformation of polymer chains undergoing a gradual change from spherical iso-diametric ellipsoid to rodlike iso-diametric ellipsoid with the decrease of polymer chain flexibility in a wide region has been clearly illustrated from several aspects. Furthermore, a comparison of the freely jointed chain (FJC) model and the wormlike chain (WLC) model has also been made to describe the polymer sizes in terms of chain flexibility and quasi-quantitative boundary toward the suitability of the models.

Nonisothermal crystallization kinetics: poly(ethylene terephthalate)-poly(ethylene oxide) segmented copolymer and poly(ethylene oxide) homopolymer

The nonisothermal crystallization behavior of polyethylene oxide (PEO) in poly(ethylene terephthalate)poly(ethylene oxide) (PETPEO) segmented copolymer and PEO homopolymer has been studied by means of differential scanning calorimetry, as well as transmission electron microscope. The kinetics of PEO in copolymer and PEO homopolymer under nonisothermal crystallization condition has been analyzed by Ozawa equation. The results show that Ozawa equation only describes the crystallization behavior of PEO-6000 homopolymer successfully, but fails to describe the whole crystallization process of PEO in copolymer because the secondary crystallization in the later stage could not be neglected. Due to the constraint of PET segments imposed on the PEO segments, a distinct two stage of crystallization of PEO in copolymer has been investigated by using Avrami equation modified by Jeziorny to deal with the nonisothermal crystallization data. In the case of PEO-6000 homopolymer, good linear relation for the whole crystallization process is obtained owing to the secondary crystallization does not occur under our experimental condition. (C) 2001 Elsevier Science Ltd. All rights reserved.

Nonisothermal crystallization kinetics of PEO in ethylene terephthalate-ethylene oxide segmented copolymers

The nonisothermal crystallization behavior of Ethylene Terephthalate-Ethylene Oxide (ET-EO) segmented copolymers has been studied with the use of differential scanning calorimetry (DSC). The kinetics of PEO in ET-EO segmented copolymer under nonisothermal crystallization conditions has been analyzed with the Ozawa equation. The results show that there is no agreement with Ozawa's theoretical predictions in the whole crystallization process owing to the constraint of ET segments imposed on the EO segments. A distinct two-crystallization process has been investigated by using the Avrami equation modified by Jeziorny to deal with the nonisothermal crystallization data. The value of the Avrami exponent n is independent of the length of soft segments. However, the crystallization rate is sensitive to the length of soft segments. The longer the soft segments, the faster the crystallization will be.

The algorithm on ring perception of molecule

It's important to identify ring in the process of structure elucidation. In this paper, all rings and the smallest set of smallest ring(SSSR) of structure are obtained from two-dimensional connection table. The results are satisfactory by using this algorithm in ESESOC expert system as constraint.

Three dimensional solution structure of neurotoxin CM-11 from the Ophiophagus hannah

The Ophiophagus hannah (King Cobra) neurotoxin CM-11 is a small protein with 72 amino acid residues, Based on complete assignments of H-1-NMR resonances and determination of secondary structures of CM-11, 349 distance and 27 dihedral angle constraints including 19 phi's and 8 chi's were collected from NOESY and DQF-COSY , and the chemical stereospecific assignment of beta(1)H was partially achieved, Twelve structures with lower energy was obtained via metric matrix distance geometry and refinement with simulated annealing, These structures have a low RMSD of 0.14 nm for backbone atoms and 0.20 nm for heavy atoms, with no distance constraint violation more than 0.05 nm, and no dihedral angle violation more than 3 degrees.

Plastic zone in front of mode I crack in phenolphthalein polyether ketone

The plastic zone size and crack opening displacement of phenolphthalein polyether ketone (PEK-C) at various conditions were investigated. Both of them increase with increasing temperature (decreasing strain rate), i.e. yield stress steadily falls. Thus, the mechanism increasing the yield stress leads to increased constraint in the crack tip and a corresponding reduction in the crack opening displacement and the plastic deformation zone. The effect of the plastic deformation on the fracture toughness is also discussed.

Effect of physical aging on phenolphthalein polyethersulfone/poly(phenylene sulfide) blend .1. Mechanical properties

The effect of physical aging at 210 degrees C on the mechanical properties of phenolphthalein polyether sulfone (PES-C) and a PES-C/poly(phenylene sulfide) (PPS) blend, with 5% content of PPS, were studied using DMA, tensile experiments, an instrumented impact tester, and SEM observations. The blend shows good mechanical properties in comparison with the corresponding PES-C. The mechanical properties of both materials exhibit characteristics of physical aging, with only the aging rate of the blend relatively slower, which should be attributed to the constraint effect of PPS particles and the good interfacial adhesion. The morphology of the PPS phase in the blend did not change with aging time. The principal role of PPS particles is to induce crazes, which dissipate energy, under applied loading; thus, the blend shows good toughness. On the other hand, the multiple crazing mechanism depends on the molecular mobility or structural state of the matrix. (C) 1996 John Wiley & Sons, Inc.

Evidence for positive selection in phycoerythrin genes of red algae and cyanobacteria Prochlorococcus and Synechococcus

Because of the shortage of phycoerythrin (PE) gene sequences from rhodophytes, peBA encoding beta- and alpha-subunits of PE from three species of red algae (Ceramium boydenn, Halymenia sinensis, and Plocamium telfariae) were cloned and sequenced. Different selection forces have affected the evolution of PE lineages. 8.9 % of the codons were subject to positive selection within the PE lineages (excluding high-irradiance adapted Prochlorococcus). More than 40 % of the sites may be under positive selection, and nearly 20 % sites are weakly constraint sites in high-irradiance adapted Prochlorococcus. Sites most likely undergoing positive selection were found in the chromophore binding domains, suggesting that these sites have played important roles in environmental adaptation during PE diversification. Moreover, the heterogeneous distribution of positively selected sites along the PE gene was revealed from the comparison of low-irradiance adapted Prochlorococcus and marine Synechococcus, which firmly suggests that evolutionary patterns of PEs in these two lineages are significantly different.

Effects of temperature on CO2 exchange between the atmosphere and an alpine meadow

The alpine meadow ecosystem on the Qinghai-Tibetan Plateau is characterized by low temperatures because of its high elevation. The low-temperature environment may limit both ecosystem photosynthetic CO2 uptake and ecosystem respiration, and thus affect the net ecosystem CO2 exchange (NEE). We clarified the low-temperature constraint on photosynthesis and respiration in an alpine meadow ecosystem on the northern edge of the plateau using flux measurements obtained by the eddy covariance technique in two growing seasons. When we compared NEE during the two periods, during which the leaf area index and other environmental parameters were similar but the mean temperature differed, we found that NEE from 9 August to 10 September 2001, when the average temperature was low, was greater than that during the same period in 2002, when the average temperature was high, but the ecosystem gross primary production was similar during the two periods. Further analysis showed that ecosystem respiration was significantly higher in 2002 than in 2001 during the study period, as estimated from the relationship between temperature and nighttime ecosystem respiration. The results suggest that low temperature controlled the NEE mainly through its influence on ecosystem respiration. The annual NEE, estimated from 15 January 2002 to 14 January 2003, was about 290 g CO2 m(-2) year(-1). The optimum temperature for ecosystem NEE under light-saturated conditions was estimated to be around 15 degrees C.

面向多目标追踪的无线传感器网络协同任务分配研究

在基于动态联盟机制的无线传感器网络协同任务分配研究中,为了解决多目标追踪带来的联盟间的资源竞争问题,本文采用分布式约束满足算法解决多动态联盟间的协同问题.根据无线传感器网络多目标追踪的应用需求,建立了基于动态联盟机制的协同任务分配的分布式约束满足模型,并采用分布式随机算法求解满足约束条件的动态联盟集合,实现多动态联盟间的协同.仿真结果表明,分布式约束满足算法有效地解决了多目标追踪中多个动态联盟间的资源竞争问题,能够有效降低系统的能量消耗。

基于天际线识别的无人机实时姿态角估计

以无人机天际线识别为背景,提出了一种准确、实时的天际线识别算法,并由此估计姿态角。在结合实际情况的基础上,对天际线建立能量泛函模型,利用变分原理推出相应偏微分方程。在实际应用中出于对实时性的考虑,引入直线约束对该模型进行简化,然后利用由粗到精的思想识别天际线。首先,对图像预处理并垂直剖分,然后利用简化的水平直线模型对天际线进行粗识别,通过拟合获得天际线粗识别结果,最后在基于梯度和区域混合开曲线模型约束下精确识别天际线,并由此估计无人机滚动和俯仰姿态角。实验结果表明,该算法对天际线识别具有较好的鲁棒性、准确性和实时性。

并联刨床刚度分析及实验研究

为了提高刨削加工能力,而采用考虑到并联机构的特点而提出了并联刨床的概念并对其进行了简单说明.采用对机床进行分解的方法对机床的各功能模块分别建立刚度模型,并利用变形线性叠加的原理对机床的并联部分刚度进行分析.采用有限元软件对机床的床身框架及平面约束机构部分的刚度进行分析.并以仿真和实验加工的方式进行了刚度特性研究.

一种立体视觉系统高精度标定方法

本文介绍使用广角镜头成像的立体视觉系统的高精度标定方法,该方法利用平面单应矩阵约束估计像机内外参数的初值,优化过程中将三维重投影误差作为评价函数,结合遗传算法完成寻优过程,以保证估计出的像机参数是全局最优,避免陷入局部极小。实验结果表明:该方法的空间定位精度与传统方法相比有很大程度的提高。

一种3自由度并联柔索驱动柔性操作臂的建模与控制

以一种3自由度并联柔索驱动机器人为研究对象,研究这种并联柔性系统的控制规律。考虑到运动描述的唯一性及易测性,取约束关节的位置作为广义关节变量,用以描述操作臂的运动状态。在此基础上分析了操作臂的运动学和静力学关系,建立了并联柔性系统的动力学模型。然后,以轨迹控制为目标,分别基于刚性模型和柔性模型设计控制器,并对系统的性能进行分析和仿真。结果表明:基于刚性模型控制器的性能较差,而基于柔性模型的奇异摄动方法则可以获得较好的控制效果。

可重构星球探测机器人的机构设计

基于可重构思想设计了一种可重构星球探测机器人系统。系统由一个母体和几个子机器人组成,其中子机 器人包括车轮和手臂两部分,可以作为独立作业的机器人,具有移动状态和工作状态两种模式。子机器人具有在 一个驱动力作用下处于不同约束环境中时,表现为不同形式输出的特点,容易实现两种模式下的灵活运动。并深 入研究了机构参数对子机器人运动的影响,用试验和仿真进行了验证,这为机器人的参数化设计及运动中的参数 化调整提供了重要的理论依据。