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At least 523 records · Page 29

Reduced basis ANOVA methods for partial differential equations with high-dimensional random inputs

In this paper we present a reduced basis ANOVA approach for partial deferential equations (PDEs) with random inputs. The ANOVA method combined with stochastic collocation methods provides model reduction in high-dimensional parameter space through decomposing high-dimensional inputs into unions of low-dimensional inputs. In this work, to further reduce the computational cost, we investigate spatial low-rank structures in the ANOVA-collocation method, and develop efficient spatial model reduction techniques using hierarchically generated reduced bases. We present a general mathematical framework of the methodology, validate its accuracy and demonstrate its efficiency with numerical experiments.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Extended inflation from higher dimensional theories

The possibility is considered that higher dimensional theories may, upon reduction to four dimensions, allow extended inflation to occur. Two separate models are analayzed. One is a very simple toy model consisting of higher dimensional gravity coupled to a scalar field whose potential allows for a first-order phase transition. The other is a more sophisticated model incorporating the effects of non-trivial field configurations (monopole, Casimir, and fermion bilinear condensate effects) that yield a non-trivial potential for the radius of the internal space. It was found that extended inflation does not occur in these models. It was also found that the bubble nucleation rate in these theories is time dependent unlike the case in the original version of extended inflation.

Holman, Richard↗

Prediction of Turbulent Jet Mixing Noise Reduction by Water Injection

A one-dimensional control volume formulation is developed for the determination of jet mixing noise reduction due to water injection. The analysis starts from the conservation of mass, momentum and energy for the confrol volume, and introduces the concept of effective jet parameters (jet temperature, jet velocity and jet Mach number). It is shown that the water to jet mass flow rate ratio is an important parameter characterizing the jet noise reduction on account of gas-to-droplet momentum and heat transfer. Two independent dimensionless invariant groups are postulated, and provide the necessary relations for the droplet size and droplet Reynolds number. Results are presented illustrating the effect of mass flow rate ratio on the jet mixing noise reduction for a range of jet Mach number and jet Reynolds number. Predictions from the model show satisfactory comparison with available test data on perfectly expanded hot supersonic jets. The results suggest that significant noise reductions can be achieved at increased flow rate ratios.

Kandula, Max↗

Effective Jet Properties for the Prediction of Turbulent Mixing Noise Reduction by Water Injection

A one-dimensional control volume formulation is developed for the determination of jet mixing noise reduction due to water injection. The analysis starts from the conservation of mass, momentum and energy for the control volume, and introduces the concept of effective jet parameters (jet temperature, jet velocity and jet Mach number). It is shown that the water to jet mass flow rate ratio is an important parameter characterizing the jet noise reduction on account of gas-to-droplet momentum and heat transfer. Two independent dimensionless invariant groups are postulated, and provide the necessary relations for the droplet size and droplet Reynolds number. Results are presented illustrating the effect of mass flow rate ratio on the jet mixing noise reduction for a range of jet Mach number and jet Reynolds number. Predictions from the model show satisfactory comparison with available test data on supersonic jets. The results suggest that significant noise reductions can be achieved at increased flow rate ratios.

Kandula, Max↗

Digital fringe reduction techniques applied to the measurement of three-dimensional transonic flow fields

A system for digital inteferogram evaluation based on an image-processing system connected to a host computer has been implemented. The system supports one- and two-dimensional interferogram evaluations. Interferograms are digitized, enhanced, and segmented. The fringe coordinates are extracted, and the fringes are represented as polygon data structures. Fringe numbering and fringe interpolation modules are implemented. The system supports editing and interactive features as well as graphic visualization. An application of the system to the evaluation of double exposure interferograms from the transonic flow field around a helicopter blade and the reconstruction of the 3-D flow field are given.

Becker, F.↗

Adaptive filtering of Echelle spectra of distant Quasars

The study of the Ly alpha - forest of distant (approximately greater than 3) Quasars is an important tool in obtaining a more detailed picture of the distribution of matter along the line of sight and thus of the general distribution of matter in the Universe and is therefore of important cosmological significance. Obviously, this is one of the tasks where spectral resolution plays an important role. The spectra used were obtained with the EFOSC at the ESO 3.6m telescope. Applying for the data reduction the standard Echelle procedure, as it is implemented for instance in the MIDAS-package, one uses stationary filters (e.g. median) for noise and cosmic particle event reduction in the 2-dimensional Echelle image. These filters are useful if the spatial spectrum of the noise reaches essentially higher frequencies then the highest resolution features in the image. Otherwise the resolution in the data will be degraded and the spectral lines smoothed. However, in the Echelle spectra the highest resolution is already in the range of one or a few pixels and therefore stationary filtering means always a loss of resolution. An Echelle reduction procedure on the basis of a space variable filter described which recognizes the local resolution in the presence of noise and adapts to it is developed. It was shown that this technique leads to an improvement in resolution by a factor of 2 with respect to standard procedures.

Priebe, A.↗

Two-Dimensional Conductive Ni-HAB as a Catalyst for the Electrochemical Oxygen Reduction Reaction

Catalytic systems whose properties can be systematically tuned via changes in synthesis conditions are highly desirable for the next-generation catalyst design and optimization. Herein, we present a two-dimensional (2D) conductive metal–organic framework consisting of M-N 4 units (M = Ni, Cu) and a hexaaminobenzene (HAB) linker as a catalyst for the oxygen reduction reaction. By varying synthetic conditions, we prepared two Ni-HAB catalysts with different crystallinities, resulting in catalytic systems with different electric conductivities, electrochemical activity, and stability. We show that crystallinity has a positive impact on conductivity and demonstrate that this improved crystallinity/conductivity improves the catalytic performance of our model system. Additionally, density functional theory simulations were performed to probe the origin of M-HAB’s catalytic activity, and they suggest that M-HAB’s organic linker acts as the active site with the role of the metal being to modulate the linker sites’ binding strength.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Graph theory approach to the eigenvalue problem of large space structures

Graph theory is used to obtain numerical solutions to eigenvalue problems of large space structures (LSS) characterized by a state vector of large dimensions. The LSS are considered as large, flexible systems requiring both orientation and surface shape control. Graphic interpretation of the determinant of a matrix is employed to reduce a higher dimensional matrix into combinations of smaller dimensional sub-matrices. The reduction is implemented by means of a Boolean equivalent of the original matrices formulated to obtain smaller dimensional equivalents of the original numerical matrix. Computation time becomes less and more accurate solutions are possible. An example is provided in the form of a free-free square plate. Linearized system equations and numerical values of a stiffness matrix are presented, featuring a state vector with 16 components.

Reddy, A. S. S. R.↗

Large Gain in Air Quality Compared to an Alternative Anthropogenic Emissions Scenario

During the last 30 years, significant effort has been made to improve air quality through legislation for emissions reduction. Global three-dimensional chemistrytransport simulations of atmospheric composition over the past 3 decades have been performed to estimate what the air quality levels would have been under a scenario of stagnation of anthropogenic emissions per capita as in 1980, accounting for the population increase (BA1980) or using the standard practice of neglecting it (AE1980), and how they compare to the historical changes in air quality levels. The simulations are based on assimilated meteorology to account for the yearto- year observed climate variability and on different scenarios of anthropogenic emissions of pollutants. The ACCMIP historical emissions dataset is used as the starting point. Our sensitivity simulations provide clear indications that air quality legislation and technology developments have limited the rapid increase of air pollutants. The achieved reductions in concentrations of nitrogen oxides, carbon monoxide, black carbon, and sulfate aerosols are found to be significant when comparing to both BA1980 and AE1980 simulations that neglect any measures applied for the protection of the environment. We also show the potentially large tropospheric air quality benefit from the development of cleaner technology used by the growing global population. These 30-year hindcast sensitivity simulations demonstrate that the actual benefit in air quality due to air pollution legislation and technological advances is higher than the gain calculated by a simple comparison against a constant anthropogenic emissions simulation, as is usually done. Our results also indicate that over China and India the beneficial technological advances for the air quality may have been masked by the explosive increase in local population and the disproportional increase in energy demand partially due to the globalization of the economy.

Law (Jurisprudence)↗

Synthetic Access to a Framework-Stabilized and Fully Sulfided Analogue of an Anderson Polyoxometalate that is Catalytically Competent for Reduction Reactions

Polyoxometalates (POMs) featuring 7, 12, 18, or more redox-accessible transition metal ions are ubiquitous as selective catalysts, especially for oxidation reactions. The corresponding synthetic and catalytic chemistry of stable, discrete, capping-ligand-free polythiometalates (PTMs), which could be especially attractive for reduction reactions, is much less well developed. Among the challenges are the propensity of PTMs to agglomerate and the tendency for agglomeration to block reactant access of catalyst active sites. Nevertheless, the pervasive presence of transition metal sulfur clusters metalloenzymes or cofactors that catalyze reduction reactions and the justifiable proliferation of studies of two-dimensional (2D) metal-chalcogenides as reduction catalysts point to the promise of well-defined and controllable PTMs as reduction catalysts. Here, we report the fabrication of agglomeration-immune, reactant-accessible, capping-ligand-free Co II Mo 6 IV S 24 n– clusters as periodic arrays in a water-stable, hierarchically porous Zr-metal–organic framework (MOF; NU1K) by first installing a disk-like Anderson polyoxometalate, Co III Mo 6 VI O 24 m– , in size-matched micropores where the siting is established via difference electron density (DED) X-ray diffraction (XRD) experiments. Flowing H 2 S, while heating, reduces molybdenum(VI) ions to Mo(IV) and quantitatively replaces oxygen anions with sulfur anions (S 2– , HS – , S 2 2– ). DED maps show that MOF-templated POM-to-PTM conversion leaves clusters individually isolated in open-channel-connected micropores. Importantly, the structure of the immobilized cluster as determined, in part, by X-ray photoelectron spectroscopy (XPS), X-ray absorption fine structure (XAFS) analysis, and pair distribution function (PDF) analysis of total X-ray scattering agrees well with the theoretically simulated structure. PTM@MOF displays both electrocatalytic and photocatalytic competency for hydrogen evolution. Nevertheless, the initially installed PTM appears to be a precatalyst, gaining competency only after the loss of ~3 to 6 sulfurs and exposure to hydride-forming metal ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Two-step growth of high quality Bi{sub 2}Te{sub 3} thin films on Al{sub 2}O{sub 3} (0001) by molecular beam epitaxy

Large-area topological insulator Bi{sub 2}Te{sub 3} thin films were grown on Al{sub 2}O{sub 3} (0001) using a two-temperature step molecular beam epitaxy growth process. By depositing a low temperature nucleation layer to serve as a template for high temperature epitaxial film growth, a high quality terrace-step surface morphology with a significant reduction in three-dimensional defect structures was achieved. X-ray diffraction measurements indicate that high crystalline quality Bi{sub 2}Te{sub 3} layers were grown incoherently by van der Waals epitaxy using this technique. Angle resolved photoemission spectroscopy measurements verified the integrity of this growth method by confirming the presence of metallic surface states on cleaved two-step Bi{sub 2}Te{sub 3} samples.

36 MATERIALS SCIENCE↗

Analysis of internal ablation for the thermal control of aerospace vehicles

A new method of thermal protection for transatmospheric vehicles is introduced. The method involves the combination of radiation, ablation and transpiration cooling. By placing an ablating material behind a fixed-shape, porous outer shield, the effectiveness of transpiration cooling is made possible while retaining the simplicity of a passive mechanism. A simplified one-dimensional approach is used to derive the governing equations. Reduction of these equations to non-dimensional form yields two parameters which characterize the thermal protection effectiveness of the shield and ablator combination for a given trajectory. The non-dimensional equations are solved numerically for a sample trajectory corresponding to glide re-entry. Four typical ablators are tested and compared with results obtained by using the thermal properties of water. For the present level of analysis, the numerical computations adequately support the analytical model.

Camberos, Jose A.↗

Generalization error guaranteed auto-encoder-based nonlinear model reduction for operator learning

Many physical processes in science and engineering are naturally represented by operators between infinite-dimensional function spaces. The problem of operator learning, in this context, seeks to extract these physical processes from empirical data, which is challenging due to the infinite or high dimensionality of data. An integral component in addressing this challenge is model reduction, which reduces both the data dimensionality and problem size. In this paper, we utilize low-dimensional nonlinear structures in model reduction by investigating Auto-Encoder-based Neural Network (AENet). AENet first learns the latent variables of the input data and then learns the transformation from these latent variables to corresponding output data. Our numerical experiments validate the ability of AENet to accurately learn the solution operator of nonlinear partial differential equations. Furthermore, we establish a mathematical and statistical estimation theory that analyzes the generalization error of AENet. Finally, our theoretical framework shows that the sample complexity of training AENet is intricately tied to the intrinsic dimension of the modeled process, while also demonstrating the robustness of AENet to noise.

Auto-encoder↗

Large structural modulations in the relaxor ferroelectric and intermediate state of strontium rich members (x>0.6) of the Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6} (sbn) solid solution series

The amplitudes of the positional, occupational and adp modulations of sbn mixed crystals are strongly enhanced for high strontium contents. The increase of structural modulations is accompanied by reduced spontaneous electric polarization largely due to smaller off-center shifts of the niobium atoms. Beyond the room temperature ferroelectric – intermediate transition near x=0.77, anomal large U{sub 33} atomic displacement parameters of the niobium atoms indicate static disorder caused by loss of orientational coupling between residual shifts of Nb atoms in neighboring NbO{sub 6} octahedra. Change of satellite intensities show a reduction from two-dimensional to one-dimensional modulation which is not consistent with tetragonal symmetry. The pseudo-tetragonally twinned crystal structure of sbn82 was refined in the orthorhombic super-space group A2mm(½0γ)000. The apparent tetragonal symmetry of the other investigated sbn samples also seems to be due to pseudo tetragonal twinning with equal twin volumes. The modulations mainly consist of cooperatively tilted NbO{sub 6} octahedra and wave-like ordered incomplete occupation of the largest cation sites (Me2a and b) by Ba{sup 2+} and Sr{sup 2+}. Furthermore, the atomic displacement parameters of the Me2 sites are strongly modulated. - Graphical abstract: Satellite reflections and modulation coefficients in the solid solution series Sr{sub x}Ba{sub 1−x}Nb{sub 2}O{sub 6}. - Highlights: • The modulationed structures are refined for the whole composition range of sbn32–sbn82 in tetragonal and orthorhombic setting. • The amplitudes of positional, occupational and adp modulations increase strongly with the strontium content. • Evidence is presented that the sbn crystals are pseudo tetragonally twinned. • The ferroelectric–intermediate paraelectric transition is not accompanied by a change of symmetry. • Anomal adp of intermediate (non-ferroelectric) sbn82 indicate loss of coupling between off-center shifts of neighboring niobium.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Colloidal synthesis and charge carrier dynamics of Cs 4 Cd 1-x Cu x Sb 2 Cl 12 (0 ≤ x ≤ 1) layered double perovskite nanocrystals

The toxicity and instability of lead-based metal halide perovskites are the two main obstacles that prevent perovskite materials from implementation in applications. Recently, layered double perovskites (LDPs) emerge as a new family of perovskite materials which provide a new route to solve these problems by lead-component replacement and reduction of crystal structure dimensionality. However, LDP nanocrystals (NCs) have been rarely studied, limiting the further property exploration and application realization. In this work, we report the colloidal synthesis of a series of Cs 4 Cd 1-x Cu x Sb 2 Cl 12 (0 ≤ x ≤ 1) LDP NCs by tuning the stoichiometry of metal precursors. The composition-structure-property relationships of the resulting LDP NCs are studied through materials characterizations, density functional theory calculations, and transient-absorption spectroscopy. In addition, we demonstrate that high-performance high-speed photodetectors can be fabricated using the colloidal LDP NCs through solution-processing. This work premises further expansion of such LDP-based materials for both fundamental studies and application integrations.

25 ENERGY STORAGE↗

Ion Transport in Charged Membranes: Linking Electric-Field-Driven Mechanisms to Pore Size via Perturbation Analysis

Ion-exchange membranes are a critical component in electrochemical systems. Nevertheless, the understanding and modeling of ion transport within these porous structures have been limited by particular complexity reductions, either ignoring the dimensionality of their porous network architecture or imposing geometric assumptions (i.e., overlapping double layers). Before addressing this morphology-transport gap, a framework that relates the driving forces of transport to the geometry of a single pore is required. In this work, our modeling domain consists of a two-dimensional single pore with charged walls, connecting two identical electrolyte reservoirs. Using the Poisson-Nernst-Planck equations and regular perturbation theory, we decouple the electric fields and analyze the driving forces of ion transport, specifically electromigration and induced electroosmosis within the pore. These processes are described as analytical functions of the interaction aspect ratio, ?, defined as the ratio of the pore radius to the Debye length. Using this parameter, our study (i) describes the interplay between electromigrative and electroosmotic mechanisms that set ionic conductivity, (ii) identifies a dimensionless group of intrinsic electrolyte properties that indicates the predominant driving force, and (iii) provides a qualitative, confinement-dependent perspective on selectivity in ion-conducting membranes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗