共查询到20条相似文献,搜索用时 93 毫秒
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本文考虑Kagome晶格上的混合自旋模型,运用decimation和对偶变换,证明它等价于一个八顶角模型。由八顶角模型的自由费密近似解给出了该模型的自由能及临界条件的近似表达式。
关键词: 相似文献
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核模型的发现在卢瑟福研究原子散射α粒子时发現湯姆孙的原子模型不正确、正电荷不是按整个原子連续地分布,而是集中在它的中部——核之后,原子核物理学就产生了。这是一个革命的事件,它改变了物理科学发展的全部进程。电子——在它身上集中的全是負电的粒子——的发现只是推翻原子的旧概念的第一步。 相似文献
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本文讨论了作为规范WZNW场论的BFOFW模型的Hamilton程式,并在此基础上研究了它的正则量子化及BFV-BRST量子化.另外,本文还在经典水平上提出了一种广义的BFOFW模型。 相似文献
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In the present paper the structural and electronic properties of polonides of lead, barium and calcium polonide (PbPo, BaPo and CaPo) have been reported. These properties have been studied using first principles calculations as well as the interionic potential model modified with the covalency effect. Gibbs free energy and enthalpy calculations show that these compounds undergo a structural phase transition from NaCl-type structure to CsCl-type structure. The electronic band structure and density of states of the PbPo, BaPo and CaPo have also been reported. The calculated equilibrium structural parameters are in good agreement with the available experimental results. 相似文献
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Electronic, structural and bulk properties of scandium selenide, ScSe have been reported in the present paper. These properties have been studied using first principle calculations as well as the interionic potential model modified with covalency effect. The Gibbs free energy and enthalpy calculations show that present compound undergoes a structural phase transition from the NaCl-type structure to the CsCl-type structure. The stability of the present compound is discussed in terms of electronic band structure and density of states. The calculated equilibrium structural parameters are in a good agreement with the available experimental results. 相似文献
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Ab initio study of oriented carbon films consisting of bent carbon chains closely packed into a hexagonal cell has been reported. A new structural model of films has been presented. It has been shown that hydrogen impurity is necessary for the stabilization of their structure. Interatomic distances in the film both between chains and along them, as well as the bending angle of carbon chains, have been determined. It has been shown that carbon atoms in the chains have a polyene bond. The distances between chains (5.0 Å) theoretically determined in this work are in excellent agreement with the previously reported experimental data. The analysis of the electronic density of states shows that these films have the dielectric properties with a band gap of about 0.43 eV. The distribution of the charge density along the chains in the film has been studied, which makes it possible to propose a model of the structural instability of such films. 相似文献
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The structural and chemical properties with non-isothermal crystallization kinetics of PET–ZnO nanocomposites have been reported in this article. ZnO nanoparticles have been synthesized via chemical route with average diameter 19 nm which made confirm by transmission electron microscopy and X-ray diffractometer (XRD) techniques. PET–ZnO nanocomposites have been prepared by solution casting method. The structural and chemical changes occurred in poly (ethylene terephthalate) after inclusion of ZnO nanoparticles have been studied with the help of XRD and Fourier transform infrared spectroscopy, respectively. It was observed from differential scanning calorimeter that ZnO nanoparticles work as nucleating agent for heterogeneous nucleation in PET matrix under non-isothermal crystallization process. The combined Avrami and Ozawa models have been proved adequate to explain non-isothermal crystallization kinetics of PET–ZnO nanocomposites, and also, ZnO nanoparticles have been caused to reduce crystallization activation energy in pristine PET as per the applied Kissinger model. 相似文献
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S.J. GUO 《Journal of sound and vibration》2002,256(4):647-663
To achieve the best structural model improvement using vibration test data, a major effort has been made to identify poor modelling regions as a guideline for subsequent model updating. The method presented and used in this paper is the energy error estimation method. In the method the difference between analytical and test data based energies at element scale is estimated to indicate any poor structural mass and stiffness modelling. As a result, poor modelling regions can be distinguished from those modelled correctly and the improvement of the original structural model can be carried out effectively and accurately. To demonstrate the application of this method, a full-scale tail-plane structure has been studied by using simulated “test” modes as a simulated case and using measured modes as a practical case. In both cases poor modelling regions of the original structural model have been accurately located. Subsequently, a significant improvement of the structural model with a reduction of average frequency error from original 2·2% down to 0·1% for the simulated case and from 4·6 to 1·8% for the practical case has been achieved. 相似文献
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The initial stage of the phase transformation kinetics in the process of migration of fission products and interstitial impurities to sinks with different singularities has been studied. The following model sinks have been considered: edge dislocations, tops of microcracks, and wedge and stereo disclinations. Analytical dependences for kinetic regularities of phase transformations in the vicinity of the corresponding structural irregularities have been presented. 相似文献
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利用分子动力学方法和Buckingham经验势模型对重要半导体材料GaN立方闪锌矿相的晶格常数、相变压力(从闪锌矿到岩盐结构)、热膨胀、等温体模量、定压热容等结构和热力学特性在300—3000K的温度范围和0—65GPa的压力范围内进行了研究.研究表明,闪锌矿相GaN常态下的结构和热力学参数的模拟结果与实验数据及其他理论结果相符.同时在所选作用势模型可靠性检验的基础上,对等温体模量、定压热容诸非谐性参量在高温高压下的热力学行为进行了预测.所得结果在材料科学等领域的研究中具有一定的应用背景和参考价值.
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GaN
Buckingham势
分子动力学模拟
高温高压 相似文献
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Rayaprol S. Parmar Rohini Kuberkar D. G. Chakraborty Keka R. Krishna P. S. R. Ramanadham M. 《Pramana》2004,63(2):213-219
Structural studies on Dy-substituted La-2125 type superconductors have been carried out by neutron diffraction experiments at room temperature using a monochromatic neutron beam of wavelength (λ) = 1.249 Å. A series of samples with La2-xDyxCa2xBa2Cu4+2xOz stoichiometric composition, forx = 0.1–0.5, have been studied for their structural properties. A tetragonal Y-123 unit cell was taken as the starting model for the Rietveld analysis. All the samples fit into the starting model, with no structural transition taking place with increasing dopant concentration. The results of Rietveld analysis and structural properties will be discussed in detail.
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I.K. Galetich I.A. Gospodarev V.I. Grishaev A.V. Eremenko K.V. Kravchenko V.A. Sirenko S.B. Feodosyev 《Superlattices and Microstructures》2009,45(6):564-575
A model of the niobium diselenide crystal lattice has been proposed. This model sufficiently describes the vibrational characteristics of both bulk samples and nanofilms with a thickness beyond one three-layered structural element. Calculation of the local Green functions and mean-squared atom amplitudes have been performed using the Jacobi-matrix method.Phonon density of states features stipulated by acoustic branches and low-frequency low-dispersion optical modes cross-over have been analyzed. 相似文献
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The base-centered orthorhombic approximant Ga7Mn5 (a = 4.547(6) nm, b = 1.256(9) nm, c = 1.482(1) nm) consisting of flattened hexagon and concave octagon (called "crown" in this paper) subunits shown by high-resolution electron microscopy (HREM) was found to coexist with the Ga-Mn decagonal quasicrystal in the Ga58Mn42 alloy. The atomic sites in the flattened hexagon subunit have been deduced recently from a structural study of the orthorhombic Ga-Mn (1/1,1/1) approximant that consists only of the hexagon subunits. Similarly, the atomic sites in the crown subunit have been deduced from another orthorhombic Ga-Mn (2/1,1/1) approximant consisting only of the crown subunits. A structural model of the orthorhombic Ga7Mn5 can thus be constructed from these structural subunits. There are 332 Ga atoms and 232 Mn atoms in a unit cell, with a composition of Mn41.2Ga58.8, satisfying the symmetry of the space group Bmm2. The simulated electron diffraction patterns, [010] HREM images, and X-ray powder diffraction pattern based on this structural model agrees mainly with the experimental observations. 相似文献