First principles calculation of the opto-electronic properties of (110) growth axis SiGe superlattices

Using two versions of the first principles full potential linear muffin-tin orbitals method (FPLMTO) which enable an accurate treatment of the interstitial regions, the electronic and optical properties of (110) growth axis Si/SiGe superlattices are investigated. A comparative study with (001) growth axis superlattices is made. In particular, it is found that the bottom of the conduction band (CB) is closer to Γ$\Gamma$ in the (110) system but the optical activity is not enhanced. Furthermore, the absorption spectra of the superlattices are calculated and are found to be quite different from those of bulk Si and Ge but fairly close to their average.     

Test models for improving filtering with model errors through stochastic parameter estimation

The filtering skill for turbulent signals from nature is often limited by model errors created by utilizing an imperfect model for filtering. Updating the parameters in the imperfect model through stochastic parameter estimation is one way to increase filtering skill and model performance. Here a suite of stringent test models for filtering with stochastic parameter estimation is developed based on the Stochastic Parameterization Extended Kalman Filter (SPEKF). These new SPEKF-algorithms systematically correct both multiplicative and additive biases and involve exact formulas for propagating the mean and covariance including the parameters in the test model. A comprehensive study is presented of robust parameter regimes for increasing filtering skill through stochastic parameter estimation for turbulent signals as the observation time and observation noise are varied and even when the forcing is incorrectly specified. The results here provide useful guidelines for filtering turbulent signals in more complex systems with significant model errors.     

Anisotropic dielectric properties of PbYb1/2Ta1/2O3 single crystals

PbYb_1/2Ta_1/2O₃ single crystals were obtained for the first time. They were grown by the flux method. The PbOPbF₂B₂O₃ system was used as a solvent. Dielectric investigations were carried out in 1 0 0_c, 1 1 0_c and 1 1 1_c pseudocubic directions. These studies pointed to anisotropy of dielectric properties. Frequency-independent ε′(T) and ε″(T) maxima related to the antiferroelectric–paraelectric (AFE—PE) phase transition are observed for all directions at 562 K. The frequency-dependent ε′(T) and ε″(T) maxima near 400 K related to the ferroelectric (FE)–AFE phase transition are observed only in 1 1 1_c direction. The hysteresis loops were observed in this direction only. These results point that ferroelectric relaxor properties appear only in 1 1 1_c direction. We propose to consider the ferroelectric phase as ferrielectric one.     

A non-oscillatory balanced scheme for an idealized tropical climate model

We use the non-oscillatory balanced numerical scheme developed in Part I to track the dynamics of a dry highly nonlinear barotropic/baroclinic coupled solitary wave, as introduced by Biello and Majda (2004), and of the moisture fronts of Frierson et al. (2004) in the presence of dry gravity waves, a barotropic trade wind, and the beta effect. It is demonstrated that, for the barotropic/baroclinic solitary wave, except for a little numerical dissipation, the scheme utilized here preserves total energy despite the strong interactions and exchange of energy between the baroclinic and barotropic components of the flow. After a short transient period where the numerical solution stays close to the asymptotic predictions, the flow develops small scale eddies and ultimately becomes highly turbulent. It is found here that the interaction of a dry gravity wave with a moisture front can either result in a reflection of a fast moistening front or the pure extinction of the precipitation. The barotropic trade wind stretches the precipitation patches and increases the lifetime of the moisture fronts which decay naturally by the effects of dissipation through precipitation while the Coriolis effect makes the moving precipitation patches disappear and appear at other times and places.     

Determination of the Molar-Mass Averages of Random Poly(aspartate-co-lactide) Copolymers by Tuning the Ionic Strength of the Solvent

Water-soluble sodium poly(aspartate-co-lactide) (PALNa) copolymers with a molar ratio of aspartate-to-lactide units equal to 1:0.6, 1:1.0 and 1:1.5 were studied using NMR spectroscopy to determine the composition as well as SEC-MALS and static light-scattering measurements to determine the molar-mass characteristics of the copolymers. In the copolymer aqueous solutions, high-molar-mass species were detected, most probably due to the incomplete dissolution of the samples. The molar-mass averages determined in water with added simple electrolyte, i.e., NaCl, were much lower than the values determined in pure water. The concentration of the salt, which allows dissolution on a molecular level, and the separation predominantly according to a size-exclusion mechanism depend on the chemical composition of the PALNa copolymers. The optimal mobile phase for the PALNa-1/0.6 and the PALNa-1/1.0 copolymers was 0.1 M NaCl at pH 9, and for the PALNa-1/1.5 copolymer with a higher content of lactide units it was 0.05 M NaCl at pH 9. The molar-mass averages of the PALNa-1/1.0 copolymer, determined by SEC-MALS and static light-scattering measurements, were comparable.

     

A modified embedded atom method for the corundum and the bixbyite forms of alumina: Bulk and surface studies

We report an atomistic simulation study of alumina in different solid phases: the corundum and the bixbyite ones. By means of the modified embedded atom method, we show that the structural properties of bulk alumina are well reproduced compared with experimental investigations. The equilibrium energy of the bixbyite structure is found to be in the same range as the one of the corundum phase. In addition, the surface energy is also investigated for α-alumina (0 0 0 1) with both aluminum and oxygen terminations.     

Leak testing of carbon–tin nanocomposites by thermal analysis methods

Electrode materials consisted of tin nanograins encapsulated in different origin carbon buffer matrix (starch or water soluble polymer) were obtained in a simple and inexpensive process. The tin precursor was synthesized using modified reverse nanoemulsion technique (w/o) and then coated by a source of carbon. The composites precursors were pyrolysed, affording formation of C/Sn anode materials. The resulting samples were investigated by powder X-ray diffraction studies in order to verify the structure and calculate crystallites sizes. The morphology of the nanocomposites was characterized by low-temperature nitrogen adsorption method (N₂-BET). Thermal analysis measurements (EGA-TG/DTG/DTA and DSC) allowed determining optimal conditions of preparation process and estimating carbon content in the obtained anode materials. Thermogravimetric studies also proved to be highly useful in establishing the leak behaviour of C/Sn nanocomposites. The electrochemical performance of the nanopowders was examined by charge–discharge tests in R2032-type coin cell. The thermal analysis results as well as low-temperature nitrogen adsorption data indicated that the origin of carbon precursor has major impact on morphology and leak behaviour of the obtained carbon buffer matrix. The electrochemical tests showed that better tightness of carbon–tin nanocomposites resulted in higher gravimetric capacity and better cell performance.     

Multicloud Convective Parametrizations with Crude Vertical Structure

Recent observational analysis reveals the central role of three multi-cloud types, congestus, stratiform, and deep convective cumulus clouds, in the dynamics of large scale convectively coupled Kelvin waves, westward propagating two-day waves, and the Madden–Julian oscillation. The authors have recently developed a systematic model convective parametrization highlighting the dynamic role of the three cloud types through two baroclinic modes of vertical structure: a deep convective heating mode and a second mode with low level heating and cooling corresponding respectively to congestus and stratiform clouds. The model includes a systematic moisture equation where the lower troposphere moisture increases through detrainment of shallow cumulus clouds, evaporation of stratiform rain, and moisture convergence and decreases through deep convective precipitation and a nonlinear switch which favors either deep or congestus convection depending on whether the troposphere is moist or dry. Here several new facets of these multi-cloud models are discussed including all the relevant time scales in the models and the links with simpler parametrizations involving only a single baroclinic mode in various limiting regimes. One of the new phenomena in the multi-cloud models is the existence of suitable unstable radiative convective equilibria (RCE) involving a larger fraction of congestus clouds and a smaller fraction of deep convective clouds. Novel aspects of the linear and nonlinear stability of such unstable RCE’s are studied here. They include new modes of linear instability including mesoscale second baroclinic moist gravity waves, slow moving mesoscale modes resembling squall lines, and large scale standing modes. The nonlinear instability of unstable RCE’s to homogeneous perturbations is studied with three different types of nonlinear dynamics occurring which involve adjustment to a steady deep convective RCE, periodic oscillation, and even heteroclinic chaos in suitable parameter regimes.     

Zonal Jet Creation from Secondary Instability of Drift Waves for Plasma Edge Turbulence

A new strategy is presented to explain the creation and persistence of zonal flows widely observed in plasma edge turbulence. The core physics in the edge regime of the magnetic-fusion tokamaks can be described qualitatively by the one-state modified Hasegawa-Mima (MHM for short) model, which creates enhanced zonal flows and more physically relevant features in comparison with the familiar Charney-Hasegawa-Mima (CHM for short) model for both plasma and geophysical flows. The generation mechanism of zonal jets is displayed from the secondary instability analysis via nonlinear interactions with a background base state. Strong exponential growth in the zonal modes is induced due to a non-zonal drift wave base state in the MHM model, while stabilizing damping effect is shown with a zonal flow base state. Together with the selective decay effect from the dissipation, the secondary instability offers a complete characterization of the convergence process to the purely zonal structure. Direct numerical simulations with and without dissipation are carried out to confirm the instability theory. It shows clearly the emergence of a dominant zonal flow from pure non-zonal drift waves with small perturbation in the initial configuration. In comparison, the CHM model does not create instability in the zonal modes and usually converges to homogeneous turbulence.     

Remarks on the breakdown of smooth solutions for the 3-D Euler equations

The authors prove that the maximum norm of the vorticity controls the breakdown of smooth solutions of the 3-D Euler equations. In other words, if a solution of the Euler equations is initially smooth and loses its regularity at some later time, then the maximum vorticity necessarily grows without bound as the critical time approaches; equivalently, if the vorticity remains bounded, a smooth solution persists.Partially supported by O.N.R. Contract No. N00014-76-C-0316 and N.S.F. Grant No. MCS-81-01639Partially supported by N.S.F. Grant No. MCS-82-00171Partially supported by N.S.F. Grant No. MCS-81-02360