Search results for "Isotropy"
showing 10 items of 1099 documents
Onset of Convection in an Inclined Anisotropic Porous Layer with Internal Heat Generation
2019
The onset of convection in an inclined porous layer which is heated internally by a uniform distribution of heat sources is considered. We investigate the combined effects of inclination, anisotropy and internal heat generation on the linear instability of the basic parallel flow. When the Rayleigh number is sufficiently large, instability occurs and a convective motion is set up. It turns out that the preferred motion at convection onset depends quite strongly on the anisotropy ratio, &xi
Syntheses, Structures, Magnetic Properties, and Density Functional Theory Magneto-Structural Correlations of Bis(μ-phenoxo) and Bis(μ-phenoxo)-μ-acet…
2013
The bis(mu-phenoxo) (FeNiIII)-Ni-II compound [Fe-III(N-3)(2)LNiII(H2O)(CH3CN)](ClO4) (1) and the bis(mu-phenoxo)-mu-acetate/bis(mu-phenoxo)-bis(mu-acetate) (FeNiII)-Ni-III compound {[Fe-III(OAc)LNiII(H2O)(mu-OAc)](0.6)center dot[(FeLNiII)-L-III(mu-OAc)(2)](0.4)}(ClO4)center dot 1.1H(2)O (2) have been synthesized from the Robson type tetraiminodiphenol macrocyclic ligand H2L, which is the [2 + 2] condensation product of 4-methyl-2,6-diformylphenol and 2,2'-dimethy1-1,3-diaminopropane. Single-crystal X-ray structures of both compounds have been determined. The cationic part of the dinuclear compound 2 is a cocrystal of the two species [Fe-III(OAc)LNiII(H2O)(mu-OAc)](+) (2A) and [(FeLNiII)-L-I…
Reconstruction of random media using Monte Carlo methods.
1998
A simulated annealing algorithm is applied to the reconstruction of two-dimensional porous media with prescribed correlation functions. The experimental correlation function of an isotropic sample of Fontainebleau sandstone and a synthetic correlation function with damped oscillations are used in the reconstructions. To reduce the numerical effort we follow a proposal suggesting the evaluation of the correlation functions only along certain directions. The results show that this simplification yields significantly different microstructures as compared to a full evaluation of the correlation function. In particular, we find that the simplified reconstruction method introduces an artificial a…
Non-circular rotating beams and CMB experiments
2002
This paper is concerned with small angular scale experiments for the observation of cosmic microwave background anisotropies. In the absence of beam, the effects of partial coverage and pixelisation are disentangled and analyzed (using simulations). Then, appropriate maps involving the CMB signal plus the synchrotron and dust emissions from the Milky Way are simulated, and an asymmetric beam --which turns following different strategies-- is used to smooth the simulated maps. An associated circular beam is defined to estimate the deviations in the angular power spectrum produced by beam asymmetry without rotation and, afterwards, the deviations due to beam rotation are calculated. For a cert…
The effect of triple excitations in coupled cluster calculations of frequency-dependent polarizabilities
1998
Abstract Frequency-dependent polarizabilities have been implemented within the CC3 model. Comparison with full configuration interaction results shows that the triple excitation effects included in CC3 lead to a significantly improved treatment for the dispersion of the polarizability of CH+. For the refractivity and polarizability anisotropy of N2, better agreement with experiment is found for the CC3 results than for those obtained with the coupled cluster singles and doubles model.
The tensor of interaction of a two-level system with an arbitrary strain field
2007
The interaction between two-level systems (TLS) and strain fields in a solid is contained in the diagonal matrix element of the interaction hamiltonian, $\delta$, which, in general, has the expression $\delta=2[\gamma]:[S]$, with the tensor $[\gamma]$ describing the TLS ``deformability'' and $[S]$ being the symmetric strain tensor. We construct $[\gamma]$ on very general grounds, by associating to the TLS two objects: a direction, $\hat\bt$, and a forth rank tensor of coupling constants, $[[R]]$. Based on the method of construction and on the invariance of the expression of $\delta$ with respect to the symmetry transformation of the solid, we conclude that $[[R]]$ has the same structure as …
Prediction of water's isotropic nuclear shieldings and indirect nuclear spin–spin coupling constants (SSCCs) using correlation‐consistent and polariz…
2009
Density functional theory (DFT) was used to estimate water's isotropic nuclear shieldings and indirect nuclear spin-spin coupling constants (SSCCs) in the Kohn-Sham (KS) complete basis set (CBS) limit. Correlation-consistent cc-pVxZ and cc-pCVxZ (x = D, T, Q, 5, and 6), and their modified versions (ccJ-pVxZ, unc-ccJ-pVxZ, and aug-cc-pVTZ-J) and polarization-consistent pc-n and pcJ-n (n = 0, 1, 2, 3, and 4) basis sets were used, and the results fitted with a simple mathematical formula. The performance of over 20 studied density functionals was assessed from comparison with the experiment. The agreement between the CBS DFT-predicted isotropic shieldings, spin-spin values, and the experimenta…
Complete basis set prediction of methanol isotropic nuclear magnetic shieldings and indirect nuclear spin-spin coupling constants (SSCC) using polari…
2009
Efficient B3LYP and BHandH density functionals were used to estimate methanol's nuclear magnetic isotropic shieldings and spin–spin coupling constants in the basis set limit. Polarization-consistent pcS-n and pcJ-n (n = 0, 1, 2, 3 and 4), and segmented contracted XZP, where X = D, T, Q and 5, basis sets were used and the results fitted with simple mathematical formulas. The performance of the methods was assessed from comparison with experiment and higher level calculations. 1J(CH) and 3J(HH) values were determined from very diluted solutions in deuterochloroform and compared with theoretical predictions. The agreement between complete basis set (CBS) density functional theory (DFT) predict…
Lateral indirect exchange coupling in a two-dimensional nanostripe array
2002
We observe a lateral indirect exchange coupling in a multistripe system of parallel Fe nanostripes grown by self-organized growth on a vicinal single-crystal W(110) surface. The width and the distance between the stripes of monolayer height were modified via the total amount of deposited Fe. The easy axis of the magnetization lies perpendicular to the stripe edges and in the surface plane, thus resulting in a ferromagnetic dipolar coupling. In addition to the dipolar coupling we observe an antiferromagnetic indirect exchange coupling for the nanostripe system covered by Au. The coupling causes a superferromagnetic phase transition in the nanostripe array.
Fine tuning of the magnetic properties in Mn3-Co Ga Heusler films near the critical regime
2021
Abstract Tunability of structural and magnetic properties of Mn3-xCoxGa films is presented by Co substitution, where critical behavior emerges 0.37 ≤ x ≤ 0.56 exhibiting a transition from tetragonal hard ferrimagnetic with perpendicular magnetic anisotropy (PMA) to a cubic soft ferrimagnetic phase with in-plane magnetic anisotropy (IMA). In the critical regime, coexisting state of tetragonal and cubic phases possesses significantly low coercive field (HC = 1.9 kOe) with relatively low saturation magnetization (MS = 100~150 emu/cc) while maintaining the PMA. From first-principles calculations, moments of two Mn sites do not change upon Co substitution. However, moments of substituted Co almo…