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Results for “Dimensionality Selection”

Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Experimental trends and theoretical descriptors for electrochemical reduction of carbon dioxide to formate over Sn-based bimetallic catalysts

The electrochemical carbon dioxide reduction reaction (CO 2 RR) using renewable energy sources is a promising solution for mitigating CO 2 emissions. In particular, CO 2 RR to formate represents a commercially profitable target. However, a comprehensive understanding of the catalytic mechanisms of Sn-based catalysts under reaction conditions, including the real-time structural evolution of catalysts and the role of all key reaction intermediates in influencing the CO 2 RR selectivity, is still lacking. The current study reports a framework to study the selectivity preference of Sn-based bimetallic catalysts using a combination of electrochemical measurements, in situ characterization, and density functional theory (DFT) calculations. The addition of a second metal (Co, Ni, Ag, Zn, Ga, Bi) was found to play a vital role in affecting the CO 2 RR performance. In situ X-ray absorption near edge structure (XANES) measurements revealed a dynamic evolution in the Sn valence state induced by different secondary metals. A multidimensional descriptor involving all the key reaction intermediates was developed to assess formate selectivity using a 2-dimensional volcano plot. Finally, this research offers an effective framework for understanding CO 2 RR catalytic selectivity by considering both the real-time structural evolution of catalysts and all the key intermediates involved.

58 GEOSCIENCES↗
NASA NTRS1990

Mid- and low-latitude model of thermospheric emissions. I - O(+) (2P) 7320 A and N2 (2P) 3371 A

This paper presents an interhemispherically coupled model of airglow emissions of the O(+) (2P) metastable state (7320 A) and the 0-0 band of the N2 second positive system (3371 A), covering mid- and low-latitudes. The model produces volume emission rates as a function of altitude, latitude, longitude, and local time for any selected data and solar and magnetic conditions, and, thus, can be used to provide three-dimensional maps of the selected emission for comparison with data obtained from orbiting vehicles. The semiglobal graphical maps of the 7320 A and 3371 A emissions illustrate the seasonal, diurnal, and solar cyclic variations on a scale that covers mid- and low-latitudes, as well as the effects of interhemispheric coupling (conjugate photoelectrons). It is shown that, in both cases, conjugate photoelectrons result in excitation at mid- to high- nighttime-latitudes in the winter hemisphere.

Torr, Marsha R.↗
DOE OSTI2016

Exploration of Two-Dimensional Materials for Remote Sensing Applications

Two-dimensional materials were explored through collaboration with Steve Howell and Catalyn Spataru, led by James Bartz during FY15 and FY16 at Sandia National Laboratories. Because of their two-dimensional nature, these materials may offer properties exceeding those of bulk materials. This work involved Density Functional Theory simulations and optical methods, instrumentation development, materials growth and materials characterization. Through simulation the wide variety of two dimensional materials was down-selected for fabrication and testing. Out of the two dimensional semiconductors studied, black phosphorus bilayers showed the strongest spectral absorption tuning with applied electric field. Laser scanning confocal microscopy, spectroscopy and atomic force microscopy allowed for identification of micron scale samples. A technique involving conductive tip atomic force microscopy and back-side illumination was developed simple assembly and characterization of material spectral response.

36 MATERIALS SCIENCE↗
NASA NTRS1998

Support Vector Machines for Hyperspectral Remote Sensing Classification

The Support Vector Machine provides a new way to design classification algorithms which learn from examples (supervised learning) and generalize when applied to new data. We demonstrate its success on a difficult classification problem from hyperspectral remote sensing, where we obtain performances of 96%, and 87% correct for a 4 class problem, and a 16 class problem respectively. These results are somewhat better than other recent results on the same data. A key feature of this classifier is its ability to use high-dimensional data without the usual recourse to a feature selection step to reduce the dimensionality of the data. For this application, this is important, as hyperspectral data consists of several hundred contiguous spectral channels for each exemplar. We provide an introduction to this new approach, and demonstrate its application to classification of an agriculture scene.

Gualtieri, J. Anthony↗
DOE OSTI2020

Directional Bonding in Decaniobate Inorganic Frameworks

Abstract Metal–oxo clusters offer an opportunity to assemble inorganic and metal–organic frameworks (MOFs) by a controlled building‐block approach, which led to the revolutionary discoveries of zeolites and MOFs. Polyoxometalate clusters are soluble in water, but more challenging to link into frameworks; the inert oxo‐caps that provide solubility are resistant to replacement or further connectivity. We demonstrate how the unique directional bonding and varying basicity of the decaniobate ([Nb 10 ]) oxo‐caps can be exploited to build 1D, 2D, and 3D inorganic frameworks. In nine structures, A + (A=Li, Na, K, Rb and Cs), AE 2+ (AE=Ca, Sr, Ba) and Mn 2+ demonstrate that the dimensionality of the obtained material is controlled by cation charge and size. Increased cation charge decreases selectivity for oxo‐site bonding, leading to higher dimensional linking. Larger cation radii also decreases bonding selectivity, yielding higher dimensional materials. Ion‐exchange studies of the A + ‐Nb 10 family shows exclusive selectivity for Cs + over other alkalis, which is important for radioactive Cs removal and sequestration.

Martin, Nicolas P.↗
NASA NTRS1981

Stable boundary approximations for a class of implicit schemes for the one-dimensional inviscid equations of gas dynamics

The applicability to practical calculations of recent theoretical developments in the stability analysis of difference approximations for initial-boundary-value problems of the hyperbolic type. For the numerical experiments, select the one-dimensional inviscid gas-dynamic equations in conservation-law form is selected. A class of implicit schemes based on linear multistep methods for ordinary differential equations is chosen and the use of space or space-time extrapolations as implicit or explicit boundary schemes is emphasized. Some numerical examples with various inflow-outflow conditions highlight the commonly discussed issues: explicit versus implicit boundary schemes, unconditionally stable schemes, and underspecification or overspecification of boundary conditions.

Yee, H. C.↗
DOE OSTI2015

Phase-field simulations of GaN growth by selective area epitaxy from complex mask geometries

Three-dimensional phase-field simulations of GaN growth by selective area epitaxy were performed. The model includes a crystallographic-orientation-dependent deposition rate and arbitrarily complex mask geometries. The orientation-dependent deposition rate can be determined from experimental measurements of the relative growth rates of low-index crystallographic facets. Growth on various complex mask geometries was simulated on both c-plane and a-plane template layers. Agreement was observed between simulations and experiment, including complex phenomena occurring at the intersections between facets. The sources of the discrepancies between simulated and experimental morphologies were also investigated. The model provides a route to optimize masks and processing conditions during materials synthesis for solar cells, light-emitting diodes, and other electronic and opto-electronic applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Targeting One- and Two-Dimensional Ta–Te Structures via Nanotube Encapsulation

Fine control over material synthesis on the nanoscale can facilitate the stabilization of competing crystalline structures. In this report we demonstrate how carbon nanotube reaction vessels can be used to selectively create one-dimensional TaTe 3 chains or two-dimensional TaTe 2 nanoribbons with exquisite control of the chain number or nanoribbon thickness and width. Transmission electron microscopy and scanning transmission electron microscopy reveal the detailed atomic structure of the encapsulated materials. Complex superstructures such as multichain spiraling and apparent multilayer moirés are observed. The rare 2H phase of TaTe 2 (1H in monolayer) is found to be abundant as an encapsulated nanoribbon inside carbon nanotubes. The experimental results are complemented by density functional theory calculations for the atomic and electronic structure, which uncovers the prevalence of 2H-TaTe 2 due to nanotube-to-nanoribbon charge transfer and size confinement. Calculations also reveal new 1T' type charge density wave phases in TaTe 2 that could be observed in experimental studies.

36 MATERIALS SCIENCE↗
NASA NTRS1989

Preconditioning matrices for the pseudospectral approximation of first-order operators

The behavior of the eigenvalues of preconditioning matrices for the pseudospectral approximation to the derivative operator has been analyzed in one and two dimensions. The one-dimensional analysis resulted in real and positive eigenvalues for the selected tridiagonal matrices. In the two-dimensional analysis, the eigenvalues of the selected block-diagonal matrices behaved well, but the preconditioner is full and therefore not suitable for applications. The Richardson scheme has been applied in the unpreconditioned as well as the preconditioned version to find the solution of the model problem.

Funaro, D.↗
NASA NTRS1994

Lewis number and Damkohler number effects in vort ex-flame interactions

A combined experimental-numerical study of the interaction of a two-dimensional vortex pair with a plane premixed laminar flame has been carried out. The selected geometry is two-dimensional in order to allow for the use of quantitative line-of-sight measurement techniques and for comparisons with two-dimensional direct numerical simulations. The experiment is used to identify possible effects of the Lewis number and of radiative heat losses, and direct numerical simulations reproducing the experimental conditions are used to investigate the role of the Lewis number, of heat losses, and of multi-step kinetics. The heat losses considered in this study are essentially radiative losses from the burnt gases and do not include conductive losses to the walls. This report presents the final results of this study of vortex-flame interactions. The main result is the creation of experimental data sets of vortex-flame interactions, which demonstrate the importance of the Lewis and Damkohler numbers to the flame and which allow for comparison with direct numerical simulations. In turn, the comparison between experimental and numerical results shows that the Lewis number effects and complex chemistry play significant roles, which can be reproduced using a two-step reaction mechanism.

Samaniego, Jean-Michael↗
DOE OSTI2022

Prediction of orbital-selective Mott phases and block magnetic states in the quasi-one-dimensional iron chain Ce 2 O 2 FeSe 2 under hole and electron doping

The recent detailed study of quasi-one-dimensional iron-based ladders, with the 3d iron electronic density n=6, has unveiled surprises, such as orbital-selective phases. However, similar studies for n=6 iron chains are still rare. Here a three-orbital electronic Hubbard model was constructed to study the magnetic and electronic properties of the quasi-one-dimensional n=6 iron chain Ce 2 O 2 FeSe 2 , with focus on the effect of doping. Specifically, introducing the Hubbard U and Hund J H couplings and studying the model via the density matrix renormalization group, we report the ground-state phase diagram varying the electronic density away from n=6. For the realistic Hund coupling J H /U=1/4, several electronic phases were obtained, including a metal, orbital-selective Mott, and Mott insulating phases. Doping away from the parent phase, the competition of many tendencies leads to a variety of magnetic states, such as ferromagnetism, as well as several antiferromagnetic and magnetic “block” phases. In the hole-doping region, two different interesting orbital-selective Mott phases were found: OSMP1 (with one localized orbital and two itinerant orbitals) and OSMP2 (with two localized orbitals and one itinerant orbital). Moreover, charge disproportionation phenomena were found in special doping regions. We argue that our predictions can be tested by simple modifications in the original chemical formula of Ce 2 O 2 FeSe 2 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2018

Experimental Characterization of Electron-Beam-Driven Wakefield Modes in a Dielectric-Woodpile Cartesian Symmetric Structure

Photonic structures operating in the terahertz (THz) spectral region enable the essential characteristics of confinement, modal control, and electric field shielding for very high gradient accelerators based on wakefields in dielectrics. We report in this paper an experimental investigation of THz wakefield modes in a three-dimensional photonic woodpile structure. Selective control in exciting or suppressing of wakefield modes with a nonzero transverse wave vector is demonstrated by using drive beams of varying transverse ellipticity. Additionally, we show that the wakefield spectrum is insensitive to the offset position of strongly elliptical beams. Finally, these results are consistent with analytic theory and three-dimensional simulations and illustrate a key advantage of wakefield systems with Cartesian symmetry: the suppression of transverse wakes by elliptical beams.

43 PARTICLE ACCELERATORS↗
DOE OSTI2015

MO-AB-BRA-10: Cancer Therapy Outcome Prediction Based On Dempster-Shafer Theory and PET Imaging

Purpose: In cancer therapy, utilizing FDG-18 PET image-based features for accurate outcome prediction is challenging because of 1) limited discriminative information within a small number of PET image sets, and 2) fluctuant feature characteristics caused by the inferior spatial resolution and system noise of PET imaging. In this study, we proposed a new Dempster-Shafer theory (DST) based approach, evidential low-dimensional transformation with feature selection (ELT-FS), to accurately predict cancer therapy outcome with both PET imaging features and clinical characteristics. Methods: First, a specific loss function with sparse penalty was developed to learn an adaptive low-rank distance metric for representing the dissimilarity between different patients’ feature vectors. By minimizing this loss function, a linear low-dimensional transformation of input features was achieved. Also, imprecise features were excluded simultaneously by applying a l2,1-norm regularization of the learnt dissimilarity metric in the loss function. Finally, the learnt dissimilarity metric was applied in an evidential K-nearest-neighbor (EK- NN) classifier to predict treatment outcome. Results: Twenty-five patients with stage II–III non-small-cell lung cancer and thirty-six patients with esophageal squamous cell carcinomas treated with chemo-radiotherapy were collected. For the two groups of patients, 52 and 29 features, respectively, were utilized. The leave-one-out cross-validation (LOOCV) protocol was used for evaluation. Compared to three existing linear transformation methods (PCA, LDA, NCA), the proposed ELT-FS leads to higher prediction accuracy for the training and testing sets both for lung-cancer patients (100+/−0.0, 88.0+/−33.17) and for esophageal-cancer patients (97.46+/−1.64, 83.33+/−37.8). The ELT-FS also provides superior class separation in both test data sets. Conclusion: A novel DST- based approach has been proposed to predict cancer treatment outcome using PET image features and clinical characteristics. A specific loss function has been designed for robust accommodation of feature set incertitude and imprecision, facilitating adaptive learning of the dissimilarity metric for the EK-NN classifier.

60 APPLIED LIFE SCIENCES↗
NASA NTRS2002

Force Evaluation in the Lattice Boltzmann Method Involving Curved Geometry

The present work investigates two approaches for force evaluation in the lattice Boltzmann equation: the momentum- exchange method and the stress-integration method on the surface of a body. The boundary condition for the particle distribution functions on curved geometries is handled with second order accuracy based on our recent works. The stress-integration method is computationally laborious for two-dimensional flows and in general difficult to implement for three-dimensional flows, while the momentum-exchange method is reliable, accurate, and easy to implement for both two-dimensional and three-dimensional flows. Several test cases are selected to evaluate the present methods, including: (i) two-dimensional pressure-driven channel flow; (ii) two-dimensional uniform flow past a column of cylinders; (iii) two-dimensional flow past a cylinder asymmetrically placed in a channel (with vortex shedding); (iv) three-dimensional pressure-driven flow in a circular pipe; and (v) three-dimensional flow past a sphere. The drag evaluated by using the momentum-exchange method agrees well with the exact or other published results.

Mei, Renwei↗
NASA NTRS2016

Additional Results of Glaze Icing Scaling in SLD Conditions

New guidance of acceptable means of compliance with the super-cooled large drops (SLD) conditions has been issued by the U.S. Department of Transportation's Federal Aviation Administration (FAA) in its Advisory Circular AC 25-28 in November 2014. The Part 25, Appendix O is developed to define a representative icing environment for super-cooled large drops. Super-cooled large drops, which include freezing drizzle and freezing rain conditions, are not included in Appendix C. This paper reports results from recent glaze icing scaling tests conducted in NASA Glenn Icing Research Tunnel (IRT) to evaluate how well the scaling methods recommended for Appendix C conditions might apply to SLD conditions. The models were straight NACA 0012 wing sections. The reference model had a chord of 72 inches and the scale model had a chord of 21 inches. Reference tests were run with airspeeds of 100 and 130.3 knots and with MVD's of 85 and 170 microns. Two scaling methods were considered. One was based on the modified Ruff method with scale velocity found by matching the Weber number W (sub eL). The other was proposed and developed by Feo specifically for strong glaze icing conditions, in which the scale liquid water content and velocity were found by matching reference and scale values of the non-dimensional water-film thickness expression and the film Weber number W (sub ef). All tests were conducted at 0 degrees angle of arrival. Results will be presented for stagnation freezing fractions of 0.2 and 0.3. For non-dimensional reference and scale ice shape comparison, a new post-scanning ice shape digitization procedure was developed for extracting 2-dimensional ice shape profiles at any selected span-wise location from the high fidelity 3-dimensional scanned ice shapes obtained in the IRT.

Icing↗
NASA NTRS2010

U.S. Materials Science on the International Space Station: Status and Plans

This viewgraph presentation reviews the current status and NASA plans for materials science on the International Space Station. The contents include: 1) Investigations Launched in 2009; 2) DECLIC in an EXPRESS rack; 3) Dynamical Selection of Three-Dimensional Interface Patterns in Directional Solidification (DSIP); 4) Materials Science Research Rack (MSRR); 5) Materials Science Laboratory; 6) Comparison of Structure and Segregation in Alloys Directionally Solidified in Terrestrial and Microgravity Environments (MICAST/CETSOL); 7) Coarsening in Solid Liquid Mixtures 2 Reflight (CSLM 2R); 8) Crystal Growth Investigations; 9) Levitator Investigations; 10) Quasi Crystalline Undercooled Alloys for Space Investigation (QUASI); 11) The Role of Convection and Growth Competition in Phase Selection in Microgravity (LODESTARS); 12) Planned Additional Investigations; 13) SETA; 14) METCOMP; and 15) Materials Science NRA.

Chiaramonte, Francis P.↗
DOE OSTI2016

Dark States in the Light-Harvesting complex 2 Revealed by Two-dimensional Electronic Spectroscopy

Energy transfer and trapping in the light harvesting antennae of purple photosynthetic bacteria is an ultrafast process, which occurs with a quantum efficiency close to unity. However the mechanisms behind this process have not yet been fully understood. Recently it was proposed that low-lying energy dark states, such as charge transfer states and polaron pairs, play an important role in the dynamics and directionality of energy transfer. However, it is difficult to directly detect those states because of their small transition dipole moment and overlap with the B850/B870 exciton bands. Here we present a new experimental approach, which combines the selectivity of two-dimensional electronic spectroscopy with the availability of genetically modified light harvesting complexes, to reveal the presence of those dark states in both the genetically modified and the wild-type light harvesting 2 complexes of Rhodopseudomonas palustris. In conclusion, we suggest that Nature has used the unavoidable charge transfer processes that occur when LH pigments are concentrated to enhance and direct the flow of energy.

59 BASIC BIOLOGICAL SCIENCES↗