梯形薄壁堰流量规律数值模拟研究

旨在用数值模拟方法推求计算梯型薄壁堰堰流的简化公式。通过推求梯型薄壁堰堰流的基本理论公式,并求解气液两相流时均方程,辅以RNG k-ε湍流模型模拟了5种不同堰顶水头下梯形薄壁堰的过流能力。用SIMPLE算法对模拟体系中的压力与速度的耦合进行求解,同时用VOF法对自由水面的流动变化信息进行捕捉;进而通过最小二乘法的拟合得到模拟的流量值随堰顶水头变化的简化计算式,采用此公式计算了梯形薄壁堰在不同堰顶水头时的过流流量,与所推基本理论公式的计算值相比结果基本一致,可为实际工程中流量的控制和测量提供参考。     

Tunable lateral shift in a prism-waveguide system with biaxially anisotropic metamaterial

We construct a prism-waveguide system with electro-optical (EO) crystal and biaxially anisotropic metamaterial (BAM) as the prism and guiding layer, respectively. Stationary-phase approach is employed to explore the modulation of EO material on the phase, reflectivity and lateral shift, different thicknesses of air and BAM are also considered. Simulation results show that the refractive index change of EO material does not change the maximum value of lateral shift and a configuration with larger phase maximum value, smaller reflectivity minimum and sharper angle-reflectivity curve generates a larger value of absolute value of lateral shift. These results give us a guidance for the design of EO-modulated sensors based on tunable lateral shift.     

Palladium nanoparticles/wool keratin-assisted carbon composite-modified flexible and disposable electrochemical solid-state pH sensor

Several p H-dependent processes and reactions take place in the human body;hence,the p H of body fluids is the best indicator of disturbed health conditions.However,accurate and real-time diagnosis of the p H of body fluids is complicated because of limited commercially available p H sensors.Hence,we aimed to prepare a flexible,transparent,disposable,userfriendly,and economic strip-based solid-state p H sensor using palladium nanoparticles(Pd NPs)/N-doped carbon(NC)composite material.The Pd NPs/NC composite material was synthesized using wool keratin(WK)as a precursor.The insitu prepared Pd NPs played a key role in the controlled switching of protein structure to the N-doped carbon skeleton withπ–πarrangement at the mesoscale level,which mimics the A–B type polymeric structure,and hence,is highly susceptible to H+ions.The optimized carbonization condition in the presence of Pd NPs showed that the material obtained using a modified Ag/Ag Cl reference electrode had the highest p H sensitivity with excellent stability and durability.The optimized p H sensor showed high specificity and selectivity with a sensitivity of 55 m V/p H unit and a relative standard deviation of 0.79%.This study is the first to synthesize Pd NPs using WK as a stabilizing and reducing agent.The applicability of the sensor was investigated for biological samples,namely,saliva and gastric juices.The proposed protocol and material have implications in solid-state chemistry,where biological material will be the best choice for the synthesis of materials with anticipated performance.     

Relating normal vibrational modes to local vibrational modes with the help of an adiabatic connection scheme

Information on the electronic structure of a molecule and its chemical bonds is encoded in the molecular normal vibrational modes. However, normal vibrational modes result from a coupling of local vibrational modes, which means that only the latter can provide detailed insight into bonding and other structural features. In this work, it is proven that the adiabatic internal coordinate vibrational modes of Konkoli and Cremer [Int. J. Quantum Chem. 67, 29 (1998)] represent a unique set of local modes that is directly related to the normal vibrational modes. The missing link between these two sets of modes are the compliance constants of Decius, which turn out to be the reciprocals of the local mode force constants of Konkoli and Cremer. Using the compliance constants matrix, the local mode frequencies of any molecule can be converted into its normal mode frequencies with the help of an adiabatic connection scheme that defines the coupling of the local modes in terms of coupling frequencies and reveals how avoided crossings between the local modes lead to changes in the character of the normal modes.     

Analytic calculation of isotropic hyperfine structure constants using the normalized elimination of the small component formalism

Based on the normalized elimination of the small component relativistic formalism, a new approach to the calculation of hyperfine structure parameters of paramagnetic molecules is developed and implemented. The new method is tested in the calculation of the isotropic hyperfine structure constant for a series of open-shell molecules containing mercury. The results of calculations carried out in connection with ab initio methods of increasing complexity demonstrate the high accuracy of the formalism developed. In view of its computational simplicity, the new approach provides the basis for an efficient and accurate calculation of the HFS parameters of large molecules.     

低温光学系统的研制

低温光学系统对于在空间探测微弱红外目标有重要的意义。无热效应的光学系统设计保证光学系统的像质不受温度变化的影响。有限元分析方法的结构优化设计,在确保光学性能的前提下使系统的重量达到最轻。特殊的制造工艺充分消除零件内部应力。低温检测的结果表明,光学系统的温度从室温降到100K的低温,在温度变化185K的条件下,系统波面误差几乎没有变化,光学系统都能达到衍射极限的成像质量。     

几种内燃机磨合油的摩擦学性能评价及在缸套和活塞环摩擦副上的应用

在分析内燃机缸套和活塞环摩擦副的运行环境和运行机制的基础上,针对内燃机频繁出现的缸套和活塞环摩擦副擦伤现象,研制出了2种内燃机磨合油,在四球摩擦磨损试验机上评价了其磨合效果,采用扫描电子显微镜对磨合表面进行了形貌观察,并通过热分析考察了其热稳定性和热氧化安定性,结果表明,在物理化学指标符合内燃机油的前提条件下,所研制的2种磨合油的承载和抗磨能力较高,经其磨合后的缸套-活塞环表面光滑,磨合效果良好,两种磨合油的热稳定性和热氧化安定性亦较坑,是潜在的优良的内燃机磨合油。     

相对论和非相对论理论模型研究奇异核的性质

采用相对论和非相对论理论模型可描述奇异核的性质 .相对论平均场理论预言了2 6,2 7,2 8P存在一个质子晕 ,而27,28,29S存在两个质子晕 .最近 ,MSU的最新的实验发现了2 6,2 7,2 8P核存在一个质子晕.采用相对论 Hartree- Fock理论研究了 Fock项和矢量介子对奇异核性质的贡献,研究表明交换项和矢量介子对非常丰中子核性质的影响非常不同于对稳定线附近核性质的影响.同时,采用形变的Hartree- Fock- Bogoliubov理论研究了某些轻核同位素链的性质和形变.     

商业银行多项资产的合理分布

随着我国金融市场的进一步改革和完善,商业银行必须加强风险意识、优化资产结构、进行科学的资产管理,追求最大的利润,这已经成为日益增长的社会需求,本运用科布-道格拉斯型的效用函数,对商业银行资产的合理分配建立了一个理论模型,并分别讨论了在确定情形下和不确定情形下国有商业银行应该如何进行资产的合理分布,以达到规避风险和利润最大,即达到效用最大的目的。     

石墨与聚苯乙烯的纳米复合过程研究

石墨具有电导率高、化学稳定性好等优点 ,被广泛应用于聚合物 石墨复合导电材料[1～ 3] .石墨作为聚合物导电填料一般以粉末形态居多 .用粉末状石墨填料往往需要较高的填充量才能得到理想的导电性能 .石墨也可以制备成膨胀石墨 ,将它与聚合物复合 ,可以大幅度降低石墨的填充量 .如一般粉末状石墨填料与聚合物复合制备的导电材料其逾渗阀值为 1 5 %～ 2 0 % ,电导率达到 1 0 -4 ～1 0 -7Ｓ ｃｍ[4 ] ;而若采用膨胀石墨方法 ,逾渗阀值则低于 3% ,电导率可达到 1 0 -2 Ｓ ｃｍ以上[5～ 7] .Ｐａｎ等[7] 报道用膨胀石墨与聚合物复合得到纳米复合…