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131.
Uniaxially orienred semicrystalline poly(ethylene terephthalate) (PET) and poly(propylene) (PP) films were loaded parallel to draw direction at various temperatures. Changes in the submicroscopical structure of the films under load were examined by small and wide-angle x-ray scattering (SAXS; WAXS) and birefringence measurements. WAXS measurements reveal a decrease of the initial high orientation of the chains in the crystallites during deformation. Simultaneously, an increase of the birefringence was detected, indicating an orientation of chains in the amorphous regions. The alteration of the long period reflections in the SAXS patterns give strong evidence that lamellar stacks with different orientation angles according to load direction are present. Depending on the orientation of stacks, the contribution of lamellar separation to sample deformation alters, giving rise to different amounts of density changes in the stacks. Absolute intensity measurements of SAXS using a Kratky apparatus reveal that lamellar separation occurs preferentially below or in the range of the glass-transition temperature at small strain. With increasing strain and temperatures above the glass-transition slip deformation mechanisms become more important. The formation of microvoids was observed at strain near to elongation at break below or in the range of glass-transition temperature. 相似文献
132.
David W. Schwenke Steven L. Mielke Donald G. Truhlar 《Theoretical chemistry accounts》1991,79(3-4):241-269
Summary We have developed efficient and accurate techniques for the calculation of quantum mechanical reaction probabilities of atom-diatom exchange reactions in the gas phase, and we have optimized a computer code employing these techniques and applied it sucessfully to several systems. In this paper we consider further strategies for improving the algorithm to allow even more demanding applications. In this context, improvement means that equivalent results can be obtained using fewer computational resources (computer time or storage) or that an equivalent expenditure of resources can yield higher accuracy. The new strategies discussed here lead to improvement in both of these areas. Two areas of special focus in the present paper are (i) the finite difference boundary value method used for calculating distorted wave Green's functions and regular solutions for scattering by the distortion potential and (ii) the choice of the distortion potential itself. Among other results included here is the first application of the outgoing wave or scattered wave variational principle to reactive scattering. 相似文献
133.
有限线性扩散区域内EC'反应催化电流吴志斌,董绍俊,吴浩青(同济大学化学系,上海,200092)(中国科学院长春应用化学研究所)(复旦大学化学系)关键词有限线性扩散空间,EC'反应,催化电流化学修饰电极等有关膜电极及薄层池的电极过程动力学问题均涉及到... 相似文献
134.
The deformation processes in impact-modified PMMA, which deforms homogeneously, were determined by means of the stress/strain experiment (, ) with simultaneous lateral strain measurement (lat) in a wide range of strain rates () up to 105%/min (impact stress). The elastic, plastic cavitation and plastic shear processes were determined as a function of strain. Therefore we calculated the elastic strain (
el), the elastic volume expansion (
vol el), the cavitation strain (
cav), which is identical with the plastic volume expansion (
vol pl), the shear strain (
sh) and the energy densities (Wel, Wcav, Wsh) related to these three processes.For strains of 3 % onward it was found that plastic shear processes and plastic cavitation processes are responsible for a partial loss of elastically stored energy. Both plastic processes turn out to be mostly anelastic deformations, their amount depending strongly on the strain rate. The contributions of the processes to the total deformation of the unmodified PMMA in its strain range are similar to those of the impact-modified PMMA, and the high impact strength is caused by a shift of the catastrophic rupture to very high strains. 相似文献
135.
Zhen-hua Yuan De-yan Shen Ren-yuan Qian Polymer Physics Laboratory Center for Molecular Science Institute of Chemistry Chinese Academy of Sciences Beijing China 《高分子科学》2001,(4):399-405
Viscoelastic behavior of the non-Hooke deformation of amorphous PET film before yield was investigated in thetemperature region 74--80.5℃ around the glass transition temperature. The film specimen was drawn to yield point followedby unloading to zero stress, then the residual deformation was held constant, while the subsequent evolution of the stress wasrecorded. An induction period was found in the course of stress evolution fol1owed by a stress step-increase. The inductionperiod decreases with increasing drawing temperature with an activation energy of 1.10 MJ/mol·K, which is attributed tothe time needed for the relaxation of rubbery deformation through cooperative internal rotations. At temperatures lower than74℃, there is no stress increase or the induction period becomes too long to be observed. Thus the nature of anelasticity inthe non-Hooke region before yielding is attributed to stress induced rubbery deformation. The experimental results areinterpreted in terms of Perez' rheological model of a series connected Hooke spring and a Voigt element consisting of aparallel connected elastic spring and a dashpot. 相似文献
136.
以实验测定的晶体结构为基础, 用密度泛函理论的B3LYP方法, 在6-31G(d)基组水平上计算4个水杨醛缩苯胺类双Schiff碱和吡啶为配体的Zn(Ⅱ)配合物的电子结构, 并结合有限场(FF)方法得到二阶NLO系数. 结果表明, 在4个五配位配合物中, 双Schiff碱配体的共轭性减弱, 在Schiff碱配体引入叔丁基以及连接双Schiff碱的桥对配合物的结构影响很小. 同时4个配合物的配键性质、原子电荷分布、前线分子轨道能级等方面具有相似性. 但引入叔丁基改变了配合物前线分子轨道组成, Zn—O配位键的极性有所加强, 从而使配合物的极化率和二阶NLO系数增加, 而连接两个Schiff碱的桥对配合物二阶NLO性质影响不大. 相似文献
137.
有限群极大子群的θ-子群偶 总被引:21,自引:0,他引:21
N.P.Mukherjee和 P.Bhattacharya在“On theta pairs for a maximal sub-group”(Proc.Amer.Math.Soc,Vl09N3(1990))一文中定义了有限群的极大子群的θ-子群偶概念,研究了极大子群的极大θ-子群偶对群结构的影响,得到了一系列结果.本文在进一步探究θ-子群偶性质的基础上,对该文中一系列主要结果作出了本质性的改进,并给出了可解性、幂零性的一些新刻划. 相似文献
138.
139.
基于双尺度渐近分析的有限元算法 总被引:9,自引:1,他引:9
1.引言正如文山所说,由于复合材料和周期结构的材料系数ail(x)在局部区域内间断且跳跃性很大,加上区域内含有周期性洞穴或裂缝,且周期长度很小.一般而言,直接采用有限元方法进行数值模拟,其计算量大得惊人,甚至难以实现.文山针对这种特征,提出了一种可计算的双尺度渐近分析模式,本文在此基础上给出了相应的有限元算法,它包括:1.周期解在一个基本构造上的有限元计算;2.边界层的有限元计算.同时,给出了相应的误差分析.2.周期解的有限元计算首先考虑下列形式的边值问题;其中把,代E尸(on叫,iii(0关于E—(EI,ZZ… 相似文献
140.