8 resultados para lattice properties


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Anisotropic metamaterials composed of 2D periodic infi- nite and finite periodic lattices of lumped inductor (L) and capacitor (C) circuits have been explored. The unique features of wave channeling on such anisotropic lattices and scattering at their interfaces and edges are reviewed and illustrated by the examples of the specific arrangements. The lattice unit cells composed of inductors and capacitors (basic mesh) as well as of assemblies comprised of double series, double parallel, and mixed parallel-series L-C circuits are discussed.

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We study the structural effects produced by the quantization of vibrational degrees of freedom in periodic crystals at zero temperature. To this end we introduce a methodology based on mapping a suitable subspace of the vibrational manifold and solving the Schrödinger equation in it. A number of increasingly accurate approximations ranging from the quasiharmonic approximation (QHA) to the vibrational self-consistent field (VSCF) method and the exact solution are described. A thorough analysis of the approximations is presented for model monatomic and hydrogen-bonded chains, and results are presented for a linear H-F chain where the potential-energy surface is obtained via first-principles electronic structure calculations. We focus on quantum nuclear effects on the lattice constant and show that the VSCF is an excellent approximation, meaning that correlation between modes is not extremely important. The QHA is excellent for covalently bonded mildly anharmonic systems, but it fails for hydrogen-bonded ones. In the latter, the zero-point energy exhibits a nonanalytic behavior at the lattice constant where the H atoms center, which leads to a spurious secondary minimum in the quantum-corrected energy curve. An inexpensive anharmonic approximation of noninteracting modes appears to produce rather good results for hydrogen-bonded chains for small system sizes. However, it converges to the incorrect QHA results for increasing size. Isotope effects are studied for the first-principles H-F chain. We show how the lattice constant and the H-F distance increase with decreasing mass and how the QHA proves to be insufficient to reproduce this behavior.

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The halide derivatives of yttrium ortho-oxomolybdate YX[MoO4] (X = F, Cl) both crystallize in the monoclinic system with four formula units per unit cell. YF[MoO4] exhibits a primitive cell setting (space group P2(1)/c, a = 519.62(2) pm, b = 1225.14(7) pm, c = 663.30(3) pm, beta = 112.851(4)degrees), whereas the lattice of YCl[MoO4] shows face-centering (space group C2/m; a = 1019.02(5) pm, b = 720.67(4) pm, c = 681.50(3) pm, beta = 107.130(4)degrees). The two compounds each contain crystallographically unique Y3+ cations, which are found to have a coordination environment of six oxide and two halide anions. In the case of YF[MoO4], the coordination environment is seen as square antiprisms, and for YCl[MoO4], trigon-dodecahedra. are found. The discrete tetrahedral [MoO4](2-) units of the fluoride derivative are exclusively bound by six terminal Y3+ cations, while those of the chloride compound show a 5-fold coordination around the tetrahedra with one edge-bridging and four terminal Y3+ cations. The halide anions in each compound exhibit a coordination number of two, building up isolated planar rhombus-shaped units according to [Y2F2](4+) in YF[MoO4] and [Y2Cl2](4+) in YCl[MoO4], respectively. Both compounds were synthesized at high temperatures using Y2O3, MoO3, and the corresponding yttrium trihalide in a molar ratio of 1:3:1. Single crystals of both are insensitive to moist air and are found to be coarse shaped and colorless with optical band gaps situated in the near UV around 3.78 eV for the fluoride and 3.82 eV for the chloride derivative. Furthermore, YF[MoO4] seems to be a suitable material for doping to obtain luminescent materials because the Eu3+-doped compound shows an intense red luminescence, which has been spectroscopically investigated.

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We discuss the effect of the attractive force associated with overlapping Debye spheres on the dispersion properties of the longitudinal and transverse dust lattice waves in strongly coupled dust crystals. The dust grain attraction is shown to contribute to a destabilization of the longitudinal dust lattice oscillations. The (optic-like) transverse mode dispersion law is shown to change. due to the Debye sphere dressing effect, from the known inverse-dispersive ("backward wave") form into a normal dispersive law (i.e. the group velocity changes sign). The stability of one-dimensionless bi-layers, consisting of (alternating) negatively and positively charged dust particles, is also discussed. The range of parameter values (mainly in terms of the lattice parameter kappa) where the above predictions are valid, are presented. (c) 2005 Elsevier B.V. All rights reserved.

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In this article, we have prepared hot-melt-extruded solid dispersions of bicalutamide (BL) using poly(ethylene oxide) (PEO) as a matrix platform. Prior to preparation, miscibility of PEO and BL was assessed using differential scanning calorimetry (DSC). The onset of BL melting was signi?cantly depressed in the presence of PEO, and using Flory– Huggins (FH) theory, we identi?ed a negative value of -3.4, con?rming miscibility. Additionally, using FH lattice theory, we estimated the Gibbs free energy of mixing which was shown to be negative, passing through a minimum at a polymer fraction of 0.55. Using these data, solid dispersions at drug-to-polymer ratios of 1:10, 2:10 and 3:10 were prepared via hot-melt extrusion. Using a combination of DSC, powder X-ray diffractometry and scanning electron
microscopy, amorphous dispersions of BL were con?rmed at the lower two drug loadings. At the 3:10 BL to PEO ratio, crystalline BL was detected. The percent crystallinity of PEO was reduced by approximately 10% in all formulations following extrusion. The increased amorphous content within PEO following extrusion accommodated amorphous BL at drug to polymer loadings up to 2:10; however, the increased amorphous domains with PEO following extrusion were not suf?cient to fully accommodate BL at drug-to-polymer ratios of 3:10.

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The different quantum phases appearing in strongly correlated systems as well as their transitions are closely related to the entanglement shared between their constituents. In 1D systems, it is well established that the entanglement spectrum is linked to the symmetries that protect the different quantum phases. This relation extends even further at the phase transitions where a direct link associates the entanglement spectrum to the conformal field theory describing the former. For 2D systems much less is known. The lattice geometry becomes a crucial aspect to consider when studying entanglement and phase transitions. Here, we analyze the entanglement properties of triangular spin lattice models by also considering concepts borrowed from quantum information theory such as geometric entanglement.

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The deposition of stiff and strong coatings onto porous templates offers a novel strategy for fabricating macroscale materials with controlled architectures at the micro- and nanoscale. Here, layer-by-layer assembly is utilized to fabricate nanocomposite-coated foams with highly customizable properties by depositing polymer–nanoclay coatings onto open-cell foam templates. The compressive mechanical behavior of these materials evolves in a predictable manner that is qualitatively captured by scaling laws for the mechanical properties of cellular materials. The observed and predicted properties span a remarkable range of density-stiffness space, extending from regions of very soft elastomer foams to very stiff, lightweight honeycomb and lattice materials.