Search results for "Linear"
showing 10 items of 7165 documents
Thermal diffusion and Soret feedback of gold-doped polyorganosiloxane nanospheres in toluene
2000
We have investigated diffusion and thermal diffusion properties of light-absorbing colloidal polyorganosiloxane microgels containing tiny nanometer-sized gold clusters dispersed in toluene. Transient holographic gratings allow for very subtle perturbations in the linear regime where Soret feedback is negligible. Gold-doped colloids of different size and crosslink ratios show different Soret coefficients but identical thermal diffusion coefficients D(T). Undoped colloids tend to aggregate, but a consistent interpretation is obtained if an identical D(T) is assumed for the doped, the undoped, and the aggregated particles. Previously reported Soret feedback measurements on similar systems inci…
A Comparative Ab Initio Thermodynamic Study of Oxygen Vacancies in ZnO and SrTiO3: Emphasis on Phonon Contribution
2013
Using a hybrid Hartree–Fock (HF)-DFT method combined with LCAO basis set and periodic supercell approach, the atomic, electronic structure and phonon properties of oxygen vacancies in ZnO and SrTiO3 were calculated and compared. The important role of a ghost basis function centered at the vacant site and defect spin state for SrTiO3 is discussed. It is shown that the use of hybrid functionals is vital for correct reproduction of defects basic properties. The Gibbs free energy of formation of oxygen vacancies and their considerable temperature dependence has been compared for the two oxides. These calculations were based on the polarizability model for the soft mode temperature behavior in S…
Deviations from Kleinman symmetry of the second-order polarizability tensor in molecules with low-lying perpendicular electronic bands
1993
Abstract 4-Nitroaniline (pNA) and 3,5-dinitro-aniline (3,5-DNA) were studied by electric field induced second harmonic generation (EFISH) and electrooptical absorption measurements (EOAM) in dioxane solution at T = 298 K. The measurements were carried out for two polarization conditions, the electric field vector of the linearly polarized incident light being parallel or perpendicular to the static electric field. The second-order polarizability tensor of pNA is confirmed to be Kleinman symmetric, while a strong deviation from index permutation symmetry is observed for 3,5-DNA. The latter is quantitatively interpreted by contributions of a low-lying electronic band with transition dipole pe…
First-principles phonon calculations of Fe4+impurity in SrTiO3
2012
The results of hybrid density functional theory calculations on phonons in Sr(Fe(x)Ti(1-x))O(3) solid solution within the formalism of a linear combination of atomic orbitals are presented. The phonon density of states (DOS) calculated for 6.25% Fe(4+) impurities is reported and defect-induced phonon modes are identified. Based on our calculations and group-theoretical analysis, we suggest for the first time an interpretation of experimentally observed Raman- and IR-active modes.
Electron–phonon effects on the direct band gap in semiconductors: LCAO calculations
2002
Abstract Using a perturbative treatment of the electron–phonon interaction, we have studied the effect of phonons on the direct band gap of conventional semiconductors. Our calculations are performed in the framework of the tight-binding linear combination of atomic orbitals (LCAO) approach. Within this scheme we have calculated the temperature and isotopic mass dependence of the lowest direct band gap of several semiconductors with diamond and zincblende structure. Our results reproduce the overall trend of available experimental data for the band gap as a function of temperature, as well as give correctly the mass dependence of the band gap on isotopic. A calculation of conduction band in…
Entropy measures, entropy estimators, and their performance in quantifying complex dynamics: Effects of artifacts, nonstationarity, and long-range co…
2017
Entropy measures are widely applied to quantify the complexity of dynamical systems in diverse fields. However, the practical application of entropy methods is challenging, due to the variety of entropy measures and estimators and the complexity of real-world time series, including nonstationarities and long-range correlations (LRC). We conduct a systematic study on the performance, bias, and limitations of three basic measures (entropy, conditional entropy, information storage) and three traditionally used estimators (linear, kernel, nearest neighbor). We investigate the dependence of entropy measures on estimator- and process-specific parameters, and we show the effects of three types of …
Information-based detection of nonlinear Granger causality in multivariate processes via a nonuniform embedding technique
2010
We present an approach, framed in information theory, to assess nonlinear causality between the subsystems of a whole stochastic or deterministic dynamical system. The approach follows a sequential procedure for nonuniform embedding of multivariate time series, whereby embedding vectors are built progressively on the basis of a minimization criterion applied to the entropy of the present state of the system conditioned to its past states. A corrected conditional entropy estimator compensating for the biasing effect of single points in the quantized hyperspace is used to guarantee the existence of a minimum entropy rate at which to terminate the procedure. The causal coupling is detected acc…
Entropy-Based Detection of Complexity and Nonlinearity in Short-Term Heart Period Variability under different Physiopathological States
2020
We compare different estimators of a popular en-tropy-based nonlinear dynamic measure, i.e. the conditional entropy (CE), as regards their ability to assess the complexity and nonlinearity of short-term heart rate variability (HRV). The CE is computed using binning, kernel and nearest neighbor entropy estimators in HRV time series measured from young, old and post-myocardial infarction patients studied at rest and during orthostatic stress. We find that the three estimators yield similar patterns of CE, but different patterns of nonlinear dynamics, across groups and conditions. These results suggest that the strategy for CE estimation is not crucial for the quantification of complexity, but…
Arabic Named Entity Recognition: A Feature-Driven Study
2009
The named entity recognition task aims at identifying and classifying named entities within an open-domain text. This task has been garnering significant attention recently as it has been shown to help improve the performance of many natural language processing applications. In this paper, we investigate the impact of using different sets of features in three discriminative machine learning frameworks, namely, support vector machines, maximum entropy and conditional random fields for the task of named entity recognition. Our language of interest is Arabic. We explore lexical, contextual and morphological features and nine data-sets of different genres and annotations. We measure the impact …
Influence of voxel size on the accuracy of linear measurements of the condyle in images of cone beam computed tomography: A pilot study
2018
Background To analyze the influence of voxel size and exposure time on the accuracy of linear measurements of the condyle. Material and methods Four macerated hemi-mandibles of pigs were scanned in nine different voxel size protocols. Three-dimensional models of the condyle were generated in order to establish a comparison between linear measurements obtained with each voxel protocol and those obtained with a caliper (gold standard). The comparison between the protocols was performed considering the average of the two measurements of the condyle in the latero-medial (LM) and antero-posterior (AP) axes and also through repeated measurement ANOVA with rank transformation. The level of signifi…