基于重力坝三维设计的CAD动态交互系统开发

为了在可研阶段合理、快速地制定重力坝设计方案,减少设计周期和成本,采用极限状态设计的方法,利用VB 6.0可视化编程工具开发出了一套能够与CAD动态交互的重力坝三维设计系统。该系统通过对Auto-CAD的二次开发实现了重力坝的三维参数化建模,并对所建三维模型进行结构计算,将设计与计算紧密结合,通过动态交互简化了大量复杂数据的计算,达到精确、快速完成断面设计的目的。经实践检验证明,该系统大大提高了断面设计效率,实用性强,对可研阶段的方案比选具有重大意义。     

Effects of amino acid replacements around the reactive site of chicken ovomucoid domain 3 on the inhibitory activity toward chymotrypsin and trypsin

We have previously shown that replacing the P1-site residue(Ala) of chicken ovomucoid domain 3 (OMCHI3) with a Met or Lysresults in the acquisition of inhibitory activity toward chymotrypsinor trypsin, respectively. However, the inhibitory activitiesthus induced are not strong. In the present study, we introducedadditional amino acid replacements around the reactive siteto try to make the P1-site mutants more effective inhibitorsof chymotrypsin or trypsin. The amino acid replacement AspTyrat the P2' site of OMCHI3(P1Met) resulted in conversion to a35000-fold more effective inhibitor of chymotrypsin with aninhibitor constant (K_i) of 1.17x10^–11 M. The K_i valueof OMCHI3(P1Met, P2'Ala) indicated that the effect on the interactionwith chymotrypsin of removing a negative charge from the P2'site was greater than that of introducing an aromatic ring.Similarly, enhanced inhibition of trypsin was observed whenthe AspTyr replacement was introduced into the P2' site of OMCHI3(P1Lys).Two additional replacements, AspAla at the P4 site and ArgAlaat the P3' site, made the mutant a more effective inhibitorof trypsin with a K_i value of 1.44x10^–9 M. By contrast,ArgAla replacement at the P3' site of OMCHI3(P1Met, P2'Tyr)resulted in a greatly reduced inhibition of chymotrypsin, andAspAla replacement at the P4 site produced only a small changewhen compared with a natural variant of OMCHI3. These resultsclearly indicate that not only the P1-site residue but alsothe characteristics, particularly the electrostatic properties,of the amino acid residues around the reactive site of the proteaseinhibitor determine the strength of its interactions with proteases.Furthermore, amino acids with different characteristics arerequired around the reactive site for strong inhibition of chymotrypsinand trypsin.     

Dipole moments of copolymers in relation to the distribution of polar monomer unit sequences

A method for evaluating the dipole moments of copolymers in relation to the distribution of polar unit sequences is proposed. Experimental data on the synthesis and dipole moments of styrene-p-chlorostyrene and styrene-p-methoxystyrene copolymers were used to calculate the effective dipole moment of a polar unit in a copolymer. For this purpose, we assumed the following effective moment values for the corresponding polar unit sequences along the copolymer chains: when both of the nearest neighbours are polar, μ_PP, when one of the nearest neighbours is polar and the other is non-polar, μ_PS, and when both of the nearest neighbours are non-polar, μ_SS. The relative magnitudes of μ_SS, μ_PS and μ_PP calculated for both copolymers reflect the influence of dipole-dipole interactions on the effective dipole moment of a polar unit in a copolymer molecule.     

Influence of polymer molecular weight on selected thermodynamic properties of polymer/solvent systems and the application of the UNIFAC theory

The intrinsic viscosities of eleven narrow molecular weight distribution polystyrene samples ranging from number-average molecular weight 1820 to 1 292 000 have been determined in pure solvents of tetrahydrofuran and chloroform with a Ubbelohde No. 1 viscometer at 25°C. By combining the original and modified Fox-Flory viscosity treatments, respectively, with the Flory-Huggins Lattice theory, the interaction parameters were calculated. With the aid of original and modified UNIFAC methods the solvent activity, clustering function of the solvent, and the interaction parameter were computed and compared with the experimental data. It was established that the influence imposed by the polymer molecular weight on the activity of the solvent, the clustering function of solvent, and interaction parameter is insignificant. The modified UNIFAC method satisfactorily predicted the solvent activity as illustrated by previous investigators. However, both UNIFAC methods failed to predict the interaction parameter.     

Interfacial interaction in AI(OH)3/polypropylene composites modified by insitu‐functionalized polypropylene

To investigate the interfacial interaction of AI(OH)₃/polypropylene (PP) composites modified by in situ‐functionalized polypropylene (FPP), AI(OH)₃/polypropylene (PP) composites containing a low AI(OH)₃ content, modified by in situ‐grafted acrylic acid, were prepared by a one‐step melt‐extrusion process. The effect of in situ FPP on the crystallization and melting behavior, crystalline morphology of the composites, and interfacial interaction between the filler and PP was investigated. The crystallization and melting behavior and crystalline morphology of PP in the composites depended upon the interfacial physical [heterogeneous nucleation of AI(OH)₃; cocrystallization and compabilitization of PP with in situ FPP] and the interfacial chemical interaction between both the components in the composites. FTIR results indicated that there exists a chemical reaction between AI(OH)₃ and in situ FPP. © 2002 Wiley Periodicals, Inc. J Appl Polym Sci 84: 110–120, 2002; DOI 10.1002/app.10270     

再生剂与老化沥青微观作用机理

采用分子动力学模拟方法,根据老化沥青体系溶解度参数变化规律,研究了再生剂组分对老化沥青相容性的影响;通过体系的相互作用能分析,探讨了再生剂组分对老化沥青再生的作用机理。结果表明,芳香分有助于改善老化沥青的相容性,且芳香分掺量越大改善效果越好;饱和分则刚好相反,这与实验结论相一致。芳香分与老化沥青相互作用能随掺量增大而急剧增大,意味着两者相互吸引作用显著增强,其原因在于静电相互作用能占据主导地位,范德华相互作用能相对较小;然而饱和分与老化沥青的相互作用能随掺量变化不大,其中静电相互作用能和范德华相互作用能几乎各占一半贡献。分子间的静电相互作用能是影响老化沥青再生的主要因素。     

激光等离子体相互作用的能量吸收机制

基于激光等离子体交互作用的能量吸收机制建立了数学模型,采用PIC方法研究非均匀短脉冲强激光入射到均匀分布的稠密等离子体时的能量吸收机制.对比研究了J×B加热、共振吸收、真空加热三种能量吸收机制,以期找到最适合等离子激光复合熔积成形数值模拟能量吸收机制.     

水中声波之间非线性作用时能量变化的分析

为研究声波之间的变参数相互作用,以伯格斯方程为基础,用谱分解方法推导了泵波与弱信号波整倍频率相互作用后弱信号波的数学解析式,研究了弱信号波在受到泵波不同频率、幅度和初始相位干扰时的能量变化情况.研究表明:二者频率比为2时,信号能量变化最大,可达9.84 dB;随着幅度比增大,信号能量变化减小;频率比大于3时,可不考虑二者初始相位差对信号波能量变化的影响;间断距离内随着传播距离的增加,弱信号波能量变化增大.     

利用单模腔和原子的共振相互作用制备GHZ态

提出利用单模腔和原子的共振相互作用制备Greenberger-Horne-Zeilinger（GHZ）态的方案,并且将制备GHZ态的方案扩展到N个原子的情况.本方案在制备GHZ态的过程中原子不需要同时通过腔场,因此在实验上更为容易实现.     

手机人机交互界面设计趋势探究

随着技术平准化、手机产业价格竞争的环境出现,手机的人机交互界面(UI)给手机市场提供了新的卖点,同时凭借各企业固有的UI继续提高客户的忠诚度,渴望成为新的产业发展动力。手机UI的新设计与功能开发是根据各种客户群体的喜好及使用习惯而进行的。随着环境和生活方式的多样化,其开发范围和潜力正在无限扩大。这些新的趋势使得界面交互可能不再囿于某个具体产品本身与用户的互动,它可能涉及到与使用环境、其他用户之间的交流。根据对当前手机技术的分析以及对国外在人机交互及相关领域研究的关注,提出了"泛交互"的概念,并对新的趋势、新的设计进行了展望和探讨。