Materials Literature
按标题、摘要、年份、主题和来源检索公开元数据。结果保留作者、摘要、分类与原始来源链接。
In this study we analyze the Cu 2 p -XPS in La 2 CuO 4 , CuO and Cu dihalides using the single-site Anderson model with five filled bands. We take into account the multiplet coupling between a Cu 3 d hole and a core hole, and the anisotropic hybridization between the 3 d hole and O 2 p valence band holes. As a result…
Using neutron diffraction, the structural change of a backbone polymer, polybutadiene, is studied when heated from the glass to the melt. On a microscopic scale the temperature dependence of the linear thermal expansion shows a discontinuity below the calorimetric glass transition temperature T g , whereas the correla…
The preparation of amorphous silicon by molecular-dynamics simulations employing the Stillinger-Weber Si potential, via direct slow cooling from the melt, is described. It is shown that previous failures to obtain amorphous Si using these interaction potentials are of kinetic origin, i.e., related to the quench rate e…
An accurate and computationally tractable theoretical procedure for the calculation of the nonresonant, electronic components of the third-order molecular polarizabilities, γ(0;0,0,0), γ(−3ω;ω,ω,ω), and γ(−2ω;ω,ω,0), can be constructed. This procedure partitions γ into a σ-electron component (γσ) and a π-electron comp…
Electronic structure in crystalline \ensuremath{\alpha}-(${\mathrm{Al}}_{114}$${\mathrm{Mn}}_{24}$) is calculated by the linear muffin-tin orbital--atomic-sphere approximation method with the local-density-functional theory. The density of states consists of a set of spiky peaks. The electronic structure is discussed…
The electronic and electrochemical properties of poly(p-phenylene vinylene), poly(thienylene vinylene), and their derivatives with electron donating moieties such as methyl, methoxy, and ethoxy are studied using the newly developed electrochemical potential spectroscopy (ECPS) and optical spectroscopy. It is shown tha…
Resonant Raman scattering has been used to study amorphous carbon and polycrystalline diamond films. The incident photon energies were varied over the range 2.2--4.8 eV. In hydrogenated amorphous carbon films containing both ${\mathrm{sp}}^{3}$- and ${\mathrm{sp}}^{2}$-bonded carbon, a high-frequency shift is observed…
Demagnetizing factors of the rectangular rod and cylinder magnetized uniformly along the long axis are found to be expressed by the simple and approximate expressions 1/(2n+1) and 1/[2(2n/(π)1/2) +1], respectively, where n is the dimensional ratio. The error which is the difference of the value evaluated by 1/(2n+1) f…
For fast and accurate density-functional calculations we devise a small basis set consisting of atom-centered linear muffin-tin orbitals (LMTO's). For the test case Si, an absolute total energy convergence of 0.02 eV/atom is obtained with 22 LMTO's/atom. The calculated lattice constant, elastic constants, phonon frequ…
Using multiconfiguration linear response and Stieltjes imaging moment theory, accurate predictions are given for the photodetachment cross sections of Li - .
Results on thermoluminescence of K 2 Ca 2 (SO 4 ) 3 are reported which show that this phosphor is more sensitive than LiF-TLD 100, can be reused and there is no fading problem. Varying the irradiation temperature between 300 and 675 K had no effect on the TL response. These properties suggest that the phosphor can be…
Spur gear endurance tests and rolling-element surface tests were conducted to investigate vacuum-induction-melted, vacuum-arc-melted (VIM-VAR) M50NiL steel for use as a gear steel in advanced aircraft applications, to determine its endurance characteristics, and to compare the results with those for standard VAR and V…
The corrosion of steel in HCl, with and without inhibitors, shows relatively straightforward impedance spectroscopy (IS) phenomenology and can be represented by simple equivalent circuits of primarily passive electrical elements. Inductive effects are, apparently, a consequence of the measurement altering the surface…
We characterize the behavior of electroluminescence from a sulfur-related impurity complex in a p-n junction formed in epitaxial silicon. The spectrum of the electroluminescence matches that of previously reported photoluminescence from sulfur impurities and persists to ∼150 K. In our structure, we find that the elect…
Flow of trains of surfactant-laden gas bubbles through capillaries is an important ingredient of foam transport in porous media. To understand the role of surfactants in bubble flow, we present a regular perturbation expansion in large adsorption rates within the low capillary-number, singular perturbation hydrodynami…
Based on a collective switching model coupled to a simplified continuity equation for impurity ions, the internal electric field and light transmission of a surface-stabilized (SS), layer-tilted ferroelectric liquid-crystal (FLC) cell with insulating alignment layers have been calculated as a function of time, under b…
The stability threshold or critical capillary pressure of foam flowing in porous media depends on the flow rate, with higher velocities breaking the foam. We present a hydrodynamic theory, based on a single lamella flowing through a periodically constricted cylindrical pore, to predict how the critical capillary press…
Quasi-crystalline Al65Cu20Mn15 powder has been produced by mechanical alloying from crystalline elemental powders. The alloying process has been monitored by x-ray diffraction, and the resulting product has been characterized by transmission electron microscopy. The quasi-crystalline phase forms after about 90 h of mi…
The development of holographic gratings has been significantly enhanced with the evolution of Ion-etching techniques to "sculpt" groove shapes in an effort to improve efficiency. In this paper it is shown that it is possible to create both plane and concave gratings with efficiency profiles consistent with c…
Abstract A chemical method and an improved absorbance ratio method are presented to determine the degree of neutralization of poly(ethylene‐co‐methacrylic acid). Compared to the chemical method, the absorbance ratio method is simple and fast. It can be used also to determine the degree of neutralization when the chemi…