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31.
We employ a first-principles plane wave method with the
relativistic analytic pseudopotential of Hartwigsen, Goedecker and Hutter
(HGH) scheme in the frame of DFT to calculate
the equilibrium lattice parameters and the thermodynamic properties of
AlB2 compound with hcp structure. The obtained lattice parameters are in
good agreement with the available experimental data and those calculated by
others. Through the quasi-harmonic Debye model, obtained successfully are
the dependences of the
normalized lattice parameters a/a0 and c/c0 on pressure P, the normalized
primitive cell volume V/V0 on pressure P, the variation of the thermal
expansion α with pressure P and temperature T, as well as the Debye
temperature \ThetaD and the heat capacity CV on pressure P and
temperature T. 相似文献
32.
Alcindo A. Dos Santos Renan S. Ferrarini Jefferson L. Princival João V. Comasseto 《Tetrahedron letters》2006,47(50):8933-8935
A masked lithium homoenolate, generated by tellurium/lithium exchange, was reacted with epoxides. The lithium compound was also converted into other organometallics such as Grignard, and cuprates and the reactivity of those organometallics with epoxides was evaluated. The same building block was employed in the synthesis of (+/−)-frontalin. 相似文献
33.
Mark L. Agranovsky E. K. Narayanan 《Proceedings of the American Mathematical Society》2006,134(7):2117-2123
A test for a function to be a solution of an elliptic PDE is given in terms of extensions, as solutions, from the boundaries inside the domains belonging to an isotopic family. It generalizes a result of Ehrenpreis for spheres moved along a straight line.
34.
We prove that the holomorphic unipotent Jacobian conjecture is valid when n = 3. 相似文献
35.
36.
A. L. Apanasenko A. V. Kuznichenko Yu. B. Govyadovskii V. G. Yakunin 《Journal of Applied Spectroscopy》1991,54(3):271-276
Translated from Zhurnal Prikladnoi Spektroskopii, Vol. 54, No. 3, pp. 438–444, March, 1991. 相似文献
37.
Rainer Löwen 《Journal of Geometry》1989,36(1-2):110-116
We prove that a spread S over a locally compact nondlscrete field F defines a topological translation plane if and only if the spread is compact. For F=R, this is implicit in Breuning's thesis [Bre], cf. [B 2]. For the proof, we describe the point set of the projective translation plane as a quotient space of some projective space, with identifications taking place in one hyperplane. This is new even for F=R. 相似文献
38.
Qipeng Guo Fei Chen Ke Wang Ling Chen 《Journal of Polymer Science.Polymer Physics》2006,44(21):3042-3052
An amphiphilic poly(ethylene oxide)‐block‐poly(dimethylsiloxane) (PEO–PDMS) diblock copolymer was used to template a bisphenol A type epoxy resin (ER); nanostructured thermoset blends of ER and PEO–PDMS were prepared with 4,4′‐methylenedianiline (MDA) as the curing agent. The phase behavior, crystallization, hydrogen‐bonding interactions, and nanoscale structures were investigated with differential scanning calorimetry, Fourier transform infrared spectroscopy, transmission electron microscopy, and small‐angle X‐ray scattering. The uncured ER was miscible with the poly(ethylene oxide) block of PEO–PDMS, and the uncured blends were not macroscopically phase‐separated. Macroscopic phase separation took place in the MDA‐cured ER/PEO–PDMS blends containing 60–80 wt % PEO–PDMS diblock copolymer. However, the composition‐dependent nanostructures were formed in the cured blends with 10–50 wt % PEO–PDMS, which did not show macroscopic phase separation. The poly(dimethylsiloxane) microdomains with sizes of 10–20 nm were dispersed in a continuous ER‐rich phase; the average distance between the neighboring microdomains was in the range of 20–50 nm. The miscibility between the cured ER and the poly(ethylene oxide) block of PEO–PDMS was ascribed to the favorable hydrogen‐bonding interaction. © 2006 Wiley Periodicals, Inc. J Polym Sci Part B: Polym Phys 44: 3042–3052, 2006 相似文献
39.
L. Aggoun 《Mathematical and Computer Modelling》2002,36(11-13)
In this paper, finite-dimensional recursive filters for space-time Markov random fields are derived. These filters can be used with the expectation maximization (EM) algorithm to yield maximum likelihood estimates of the parameters of the model. 相似文献
40.