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61.
In the framework of the Hückel MO approximation, the differences in total binding energy between a given molecule and the corresponding distorted Kekulé-type structure are calculated for a variety of benzenoid hydrocarbons. The total binding energy is assumed to be given by the sum of the -electron and -electron binding energies. It is shown that there is a good linear relationship between the calculated differences in total binding energy and the -electron delocalization energies (DE) as obtained by using the simple Hückel MO method. This provides a physical basis for the use of the -electron DE as a theoretical index to the empirical resonance energy (RE). Further, by examining the changes in -electron binding energy between a given molecule and the corresponding distorted Kekulé-type structure, it is concluded that in benzenoid hydrocarbons the main contributor to the RE is not the -electron DE but the compressional energy of bonds.  相似文献   
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陈恳  黄波  王庆  王刚 《力学学报》2020,52(2):400-407
作为一种新型结构材料,非晶态合金的韧性需要进一步提高.提高非晶态合金韧性的方法有引入枝晶相、调整其成分改变其泊松比影响其剪切带衍生、裂纹扩展等.本文通过表面机械加工的方法来调控非晶态合金的微观结构及韧性.我们采用真空电弧熔炼、亚稳态薄板离心浇铸系统制备了Zr52.5Cu17.9Ni14.6Al10Ti5(原子百分比)(Vit105)非晶合金板,并用表面机械研磨处理方法 (surface mechanical attrition treatment, SMAT),在Vit105板上形成纳米尺度局域类晶体序结构.基于差示扫描量热分析、纳米压痕实验,我们发现SMAT处理后的Vit105合金板表面附近弛豫焓更低,微观结构更加均匀、稳定.通过显微维氏硬度计测试,发现SMAT处理后样品的表面附近硬度增大,硬度值分布也更均匀.通过三点弯断裂实验,可得到SMAT处理后合金板缺口韧度值从70.7±4.7 MPa·m1/2提高到112.8±3.7 MPa·m1/2<...  相似文献   
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We report experimental studies on defects in a nematic liquid crystal with negative dielectric anisotropy mounted in a cell with perfluoropolymer-coated surfaces. The sample exhibits a discontinuous anchoring transition from planar to homeotropic on cooling at zero or a small electric field, and above a cross-over voltage a continuous ‘inverse Freedericksz transition’, at which the director starts tilting in opposite directions at the two surfaces. Defects of strength ±1/2 are either annihilated or expelled when the director tilts. On the other hand, disclination lines of ±1 which end in partial point defects (boojums) at the surfaces in the planar alignment regime acquire point defects of strength ±1 at the midplane of the cell when the director tilts. At a low enough temperature, the homeotropic anchoring becomes strong, and an electric field above the Freedericksz threshold generates the usual umbilic defects, which follow the dynamic scaling laws found in earlier studies.  相似文献   
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A great number of studies of polyelectrolyte complexes have been carried out by various investigators; most of them concentrated on the reaction between oppositely charged polyelectrolytes [1-3]. The structure and properties of the resultant complexes have been investigated to a lesser extent, and the understanding of this new class of polymer materials is still insufficient. Thus, we have been investigating the sorption of water vapor by the complexes and the morphological changes caused by this sorption [4,5].  相似文献   
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Abstract

Polyurethane (PU) sheets and foams having plant components in their network were prepared by using the following procedure. Polyethylene glycol (PEG) was mixed with one of the following; molasses, lignin, woodmeal, or coffee grounds. The mixture obtained was reacted with diphenylmethane diisocyanate (MDI) at room temperature, and precured PUs were prepared. The precured PUs were heat-pressed and PU sheets were obtained. In order to make PU foam, the above mixture was reacted with MDI after the addition of plasticizer, surfactant (silicone oil), catalyst (di-n-butyltin dilaurate), and droplets of water under vigorous stirring. The glass transition temperature, tensile and compression strengths, and Young's modulus of the PU sheets and foams increased with an increasing amount of plant components. This suggests that saccharide and lignin residues act as hard segments in PUs. It was found that the PUs obtained were biodegradable in soil. The rate of biodegradation of the PUs derived from molasses and coffee grounds was between that of cryptomeria (Cryptomeria japonica) and beech (Fagus sieboldi).  相似文献   
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