Structural evolution of poly(lactic acid) upon uniaxial stretching investigated by in situ infrared spectroscopy

Structural evolution of poly(lactic acid) (PLA) upon uniaxial stretching was studied with in-situ polarized infrared spectroscopy measurements, and its structural change affected by annealing was also investigated. Band shifting was used to reflect the structural ordering process. It was found that the band at 1302 cm⁻¹ always moves to low wavenumbers before crystallization, indicating the occurrence of intermolecular packing ordering. However, the band at 869 cm⁻¹ shifts to high wavenumbers, which is related to the transition from the amorphous phase to the ordered phase. Interestingly, during stretching, the shifting for the band at 1302 cm⁻¹ always occurs before that for the lower wavenumber band, whereas these two band shifts take place simultaneously under annealing. Based on the different characteristics of the structural evolution under stretching and annealing processes, a critical temperature was found at around 63 °C, which influences the effect weight of kinetic and thermodynamic factors to the crystallization behavior. The effect of the drawing temperature on crystallization and mechanical property of PLA films was also analyzed.     

三角晶格有耗色散光子晶体的能带结构分析

为探讨有耗色散媒质光子晶体的特性,引入一种计算有耗色散光子晶体能带结构的方法,基于有限元法将能带结构的计算简化为求解关于Block波矢的二次特征值问题,可以有效地得到色散材料光子晶体的能带结构和特征模.分析了三角晶格介质光子晶体能带结构并与现有方法对比,结果表明两种方法在TM模和TE模下得到的能带结构完全相同,验证了该方法的有效性.分析了无耗及有耗色散光子晶体的能带结构,发现无耗光子晶体场强集中于色散媒质与空气的接触面,并呈现出明显的表面等离激元特性,具有对称性,而有耗光子晶体场强减小,表面等离激元变弱,对称性被破坏.相关结果可为有耗色散光子晶体以及表面等离激元的研究提供参考.     

The Nambu–Jona–Lasinio model of light nuclei

The Nambu–Jona–Lasinio model of the deuteron suggested by Nambu and Jona–Lasinio (Phys. Rev. 124 (1961) 246) is formulated from the first principles of QCD. The deuteron appears as a neutron–proton collective excitation, i.e. a Cooper np–pair, induced by a phenomenological local four–nucleon interaction in the nuclear phase of QCD. The model describes the deuteron coupled to itself, nucleons and other particles through one–nucleon loop exchanges providing a minimal transfer of nucleon flavours from initial to final nuclear states and accounting for contributions of nucleon–loop anomalies which are completely determined by one–nucleon loop diagrams. The dominance of contributions of nucleon–loop anomalies to effective Lagrangians of low–energy nuclear interactions is justified in the large N _C expansion, where N _C is the number of quark colours. Received: 10 March 2000     

甲基三氢集团的研究

本文通过FT-IR,溶解热和从头计算分子轨道法,对含三氢集团的分子(丙酮、乙酸甲酯、二甲基亚砜等)分子间的相互作用做了研究。在所研究的体系中,计算表明在甲基3个氢原子的中心方向有一个正电势区。它导致负电集团红外吸收带频率位移,溶解热的数据进一步说明三氢集团的集体效应。     

GaAs(100)解理面的能带弯曲

在真空中解理后,用XPS测得了GaAs样品（110）断面能带弯曲的动态过程．两组重掺杂n型和p型GaAs样品的费米能级分别向禁带中间的方向移动了0.4eV和0．3eV.实验测得重掺杂n型和p型GaAs样品费米能级之差为1．3eV,它们的禁带宽度理论值为1．42eV,这说明结果是合理的．根据实验结果,对引起GaAs表面能带弯曲的可能原因进行了分析讨论．排除了本征表面态、真空中残留气体和X射线辐射等原因,认为解理过程在表面产生的缺陷和解理后表面晶格弛豫过程中产生的缺陷可能是导致能带弯曲的主要原因．     

超空间上的连续对应与对应的闭图

本文的目的是在超空间上重新定义上半连续,下半连续和连续对应．改进了Ｋｌｅｉｎ在［１］中的定义７．１．１,得到了这些对应和它们的闭图的若干特征和性质,给出了子集网在下半连续对应中的应用     

高分子液晶条带织构的计算机模拟

The relationship between the vector version and tensor version of Frank distortion energy for the liquid crystal was established, through which the relationship between the Frank elastic constants and the expansion coefficients of spatial derivatives for the orientational order parameter Sij of liquid crystalline polymer was obtained. Ginzberg-Landau equation for the orientational order parameter Sij was numerically solved by using the cell dynamical system, which involves a free energy functional containing Landau-de Gennes orientational free energy, Maier-Saupe anisotropic interaction free energy and Frank distortion free energy. Incase of the splay elastic constant being much lager than the bend elastic constant, the evolution process of band textures in liquid crystalline polymer during the shear relaxation and its small angle light scattering patterns were simulated. The influence of preshear rate on the band forming and band structure was investigated. It was found that the formation of longitudinal band textures is due to the much rapider longitudinal splay relaxation than the latitudinal bend relaxation, and the induced times of band forming and the characteristic length of band structure decrease with the increasing of preshear rate, which is consistent with the experimental results.     

Ca3Pd4Bi8: Kristall‐ und elektronische Struktur

Ca₃Pd₄Bi₈: Crystal and Electronic Structure Ca₃Pd₄Bi₈ (a = 10.814(4), b = 17.050(6), c = 4.149(4) Å) was prepared by heating the elements at 900 °C and investigated by single crystal X‐ray methods. The compound crystallizes in a new structure type (Pbam; Z = 2). Six Bi atoms form distorted trigonal prisms around the Pd atoms. The polyhedra share common corners, edges or faces building up a three dimensional Pd, Bi network, whose holes are occupied by Ca atoms. A special feature is a distorted octahedron of four Pd and two Bi atoms connected via short homonuclear bonds. The metallic behaviour of the compound derived from the bond lengths is discussed by LMTO band structure calculations.     

Ferromagnetism in Transition Metals: A Chemical Bonding Approach

Band structure calculations from first principles provide the basis of a simple explanation for the appearance of ferromagnetism in iron, cobalt, and nickel that is founded upon a uniquely chemical concept: bonding. It is shown that the onset of ferromagnetism strengthens the metal–metal bonds in these transition metals by reducing the antibonding nearest neighbor interactions that would otherwise appear at the Fermi level.     

高活性氧化亚铜薄膜材料的绿色合成研究

本文采用一步脉冲雾化化学气相沉积法在250℃下制备了氧化亚铜薄膜催化剂.实验研究了前驱体中掺杂水对氧化铜薄膜表面形貌、拓扑结构、表面成分和光学特性的影响规律.结果表明所制得的催化剂为纯相的氧化亚铜.前驱体溶液中掺杂水会导致氧化亚铜的晶粒变小,从而使得共光学能隙从2.16 eV降至2.04 eV.原子力显微镜结果表明随着水的加入,氧化亚铜的表面粗糙度降低,表面更加均匀.此外,利用密度泛函理论计算得到了水和乙醇在氧化亚铜薄膜表面的吸附和反应特性,并提出了氧化亚铜的形成机理.本文开发了一种低成本且实际可行的薄膜制造方法,该方法在太阳能电池和半导体等领域具有潜在应用.