FD—TD在分析FSS中的应用

本文讨论了用FD TD分析FSS的有关问题,提出了一种适合于在任意入射角情况下分析FSS的有效吸收边界条件,分别以单层、双层FSS为例进行了计算.数值结果和矢量模式法、谱域法的结果非常一致.     

Measurement of Hartmann-Hahn cross-polarization dynamics with quenching of proton T1ρ relaxation dependence

A simple modification of the standard cross-polarization method designed for quenching the proton T_1ρ dependence when studying polarization transfer is presented. It is demonstrated that by using this simple procedure, new and subtle details of cross-polarization dynamics, previously hidden by the T_1ρ(¹H) effect, can be observed in dipolar-coupled spin systems.     

Large-scale computer simulation of fully developed turbulent channel flow with heat transfer

Recently, with the advent of supercomputers, there has been considerable interest in the use of direct numerical simulation to obtain information about turbulent shear flow at low Reynolds number. This paper presents a pseudospectral technique to solve the full three-dimensional time-dependent Navier-Stokes and advection-diffusion equations without the use of subgrid-scale modelling. The technique has not been previously used for fully developed turbulent channel flow simulation and is based on methods applied in other contexts. The emphasis of this paper is to provide a reasonably detailed account of how the simulation is done rather than to present new calculations of turbulence. The details of an algorithm for turbulent channel flow simulation and the grid and time step sizes needed to integrate through transient behaviour to steady state turbulence have not been published before and are presented here. Results from a Cray-2 simulation of fully developed turbulent flow in a channel with heat transfer are presented along with a critical comparison between experiment and computation. The first- and second-order moments agree well with experimental measurements; the agreement is poor for higher-order moments such as the skewness and flatness near the walls of the channel. Detailed information given about the effects of spatial grid resolution on a computed results is important for estimating the size of the computation required to study various aspects of a turbulent flow.     

冷却速度对激光相变组织分布的影响

提出通过改变边界换热条件，从而改变冷却速度，达到控制激光相变硬化。实验和计算结果的比较表明，这种控制相变及其组织分布的方法能够处理激光淬火难以解决的问题。     

A density functional theory computational study of the role of ligand on the stability of CuI and CuII species associated with ATRP and SET‐LRP

Atom transfer radical polymerization (ATRP) and single electron‐transfer living radical polymerization (SET‐LRP) both utilize copper complexes of various oxidation states with N‐ligands to perform their respective activation and deactivation steps. Herein, we utilize DFT (B3YLP) methods to determine the preferred ligand‐binding geometries for Cu/N‐ligand complexes related to ATRP and SET‐LRP. We find that those ligands capable of achieving tetrahedral complexes with Cu^I and trigonal bipyramidal with axial halide complexes with [Cu^IIX]⁺ have higher energies of stabilization. We were able to correlate calculated preferential stabilization of [Cu^IIX]⁺ with those ligands that perform best in SET‐LRP. A crude calculation of energy of disproportionation revealed that the same preferential binding of [Cu^IIX]⁺ results in increased propensity for disproportionation. Finally, by examining the relative energies of the basic steps of ATRP and SET‐LRP, we were able to rationalize the transition from the ATRP mechanism to the SET‐LRP mechanism as we transition from typical nonpolar ATRP solvents to polar SET‐LRP solvents. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 4950–4964, 2007     

热电厂锅炉运行技术指标的微机管理

本文从锅炉运行技术指标台帐微机管理的实际出发，提出了热量计算中主蒸汽流量修正系数Ｃ和给水焓值Ｚ两项参数回归的计算公式，提高了热量计算数值精度。     

Synthesis of grafted poly(p‐phenyleneethynylene) with energy donor–acceptor architecture via atom transfer radical polymerization: Towards nonaggregating and hole‐facilitating light‐emitting material

In this contribution, we demonstrate a new effective methodology for constructing highly efficient and durable poly(p‐phenyleneethynylene) (PPE) containing emissive material with nonaggregating and hole‐facilitating properties through the introduction of hole‐transporting blocks into the PPE system as the grafting coils as well as building the energy donor–acceptor architecture between the grafting coils and the PPE backbone. Poly(2‐(carbazol‐9‐yl)ethyl methacrylate) (PCzEMA), herein, is chosen as the hole‐transporting blocks, and incorporated into the PPE system as the grafting coils via atom transfer radical polymerization. The chemical structure of the resultant copolymer, PPE‐g‐PCzEMA, was characterized by NMR and gel permeation chromatography, showing that the desirable copolymer was obtained with the narrow polydispersity. The increased thermal stability of PPE‐g‐PCzEMA was confirmed by thermogravimetric analysis and differential scanning calorimetry along with its macroinitiator. The optoelectronic properties of this copolymer were studied in detail by ultraviolet‐visible absorption, photoluminescence emission and excitation spectra, and cyclic voltammogram (CV). The results indicate that PPE‐g‐PCzEMA exhibits the solid‐state luminescent property dominated by individual lumophores, and also the energy transfer process from the PCzEMA blocks to the PPE backbone with a relatively higher energy transfer efficiency in the solid‐state compared to that of the solution state. Additionally, the hole‐injection property is greatly facilitated due to the presence of PCzEMA, as confirmed by CV profiles. All these data indicate that PPE‐g‐PCzEMA is a good candidate for use in optoelectronic devices. © 2007 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 45: 3776–3787, 2007     

Synthesis and characterization of functional gradient copolymers of allyl methacrylate and butyl acrylate

Functional spontaneous gradient copolymers of allyl methacrylate (A) and butyl acrylate (B) were synthesized via atom transfer radical polymerization. The copolymerization reactions were carried out in toluene solutions at 100 °C with methyl 2‐bromopropionate as the initiator and copper bromide with N,N,N′,N″,N″‐pentamethyldiethylenetriamine as the catalyst system. Different aspects of the statistical reaction copolymerizations, such as the kinetic behavior, crosslinking density, and gel fraction, were studied. The gel data were compared with Flory's gelation theory, and the sol fractions of the synthesized copolymers were characterized by size exclusion chromatography and nuclear magnetic resonance spectroscopy. The copolymer composition, demonstrating the gradient character of the copolymers, and the microstructure were analyzed. The experimental data agreed well with data calculated with the Mayo–Lewis terminal model and Bernoullian statistics, with monomer reactivity ratios of 2.58 ± 0.37 and 0.51 ± 0.05 for A and B, respectively, an isotacticity parameter for A of 0.24, and a coisotacticity parameter of 0.33. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5304–5315, 2006     

Boiling heat transfer characteristics of nanofluids in a flat heat pipe evaporator with micro-grooved heating surface

An experimental study was performed to understand the nucleate boiling heat transfer of water–CuO nanoparticles suspension (nanofluids) at different operating pressures and different nanoparticle mass concentrations. The experimental apparatus is a miniature flat heat pipe (MFHP) with micro-grooved heat transfer surface of its evaporator. The experimental results indicate that the operating pressure has great influence on the nucleate boiling characteristics in the MFHP evaporator. The heat transfer coefficient and the critical heat flux (CHF) of nanofluids increase greatly with decreasing pressure as compared with those of water. The heat transfer coefficient and the CHF of nanofluids can increase about 25% and 50%, respectively, at atmospheric pressure whereas about 100% and 150%, respectively, at the pressure of 7.4 kPa. Nanoparticle mass concentration also has significant influence on the boiling heat transfer and the CHF of nanofluids. The heat transfer coefficient and the CHF increase slowly with the increase of the nanoparticle mass concentration at low concentration conditions. However, when the nanoparticle mass concentration is over 1.0 wt%, the CHF enhancement is close to a constant number and the heat transfer coefficient deteriorates. There exists an optimum mass concentration for nanofluids which corresponds to the maximum heat transfer enhancement and this optimum mass concentration is 1.0 wt% at all test pressures. The experiment confirmed that the boiling heat transfer characteristics of the MFHP evaporator can evidently be strengthened by using water/CuO nanofluids.     

Facile syntheses of surface-functionalized micelles and shell cross-linked nanoparticles

Block copolymer micelles and shell cross-linked nanoparticles (SCKs) presenting Click-reactive functional groups on their surfaces were prepared using two separate synthetic strategies, each employing functionalized initiators for the controlled radical polymerization of acrylate and styrenic monomers to afford amphiphilic block copolymers bearing an alkynyl or azido group at the α-terminus. The first route for the synthesis of the azide-functionalized nanostructures was achieved via sequential nitroxide-mediated radical polymerization (NMP) of tert-butyl acrylate and styrene, originating from a benzylic chloride-functionalized initiator, followed by deprotection of the acrylic acids, supramolecular assembly of the block copolymer in water and conversion of the benzylic chloride to a benzylic azide. In contrast, the second strategy utilized an alkynyl-functionalized reversible addition fragmentation transfer (RAFT) agent directly for the RAFT-based sequential polymerization of tetrahydropyran acrylate and styrene, followed by selective cleavage of the tetrahydropyran esters to give the α-alkynyl-functionalized block copolymers. These Click-functionalized polymers, with the functionality located at the hydrophilic polymer termini, were then self-assembled using a mixed-micelle methodology to afford surface-functionalized “Clickable” micelles in aqueous solutions. The optimum degree of incorporation of the Click-functionalized polymers was investigated and determined to be ca. 25%, which allowed for the synthesis of well-defined surface-functionalized nanoparticles after cross-linking selectively throughout the shell layer using established amidation chemistry. Functionalization of the chain ends was shown to be an efficient process under standard Click conditions and the resulting functional groups revealed a more “solution-like” environment when compared to the functional group randomly inserted into the hydrophilic shell layer. © 2006 Wiley Periodicals, Inc. J Polym Sci Part A: Polym Chem 44: 5203–5217, 2006