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Results for “Dimensionality Reduction”

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 811 records · Page 45
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Charge Transfer Screening and Energy Level Alignment at Complex Organic–Inorganic Interfaces: A Tractable Ab Initio GW Approach

Complex organic–inorganic interfaces are important for device and sensing applications. Charge transfer doping is prevalent in such applications and can affect the interfacial energy level alignments (ELA), which are determined by many-body interactions. We develop an approximate ab initio many-body GW approach that can capture many-body interactions due to interfacial charge transfer. The approach uses significantly less resources than a regular GW calculation but gives excellent agreement with benchmark GW calculations on an F4TCNQ/graphene interface. We find that many-body interactions due to charge transfer screening result in gate-tunable F4TCNQ HOMO–LUMO gaps. We further predict the ELA of a large system of experimental interest—4,4'-bis(dimethylamino)bipyridine (DMAP-OED) on monolayer MoS 2 , where charge transfer screening results in an ~1 eV reduction of the molecular HOMO–LUMO gap. Comparison with a two-dimensional electron gas model reveals the importance of explicitly considering the intraband transitions in determining the charge transfer screening in organic–inorganic interface systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Anisotropic structural dynamics of monolayer crystals revealed by femtosecond surface X-ray scattering

Ultrafast X-ray scattering is one of the primary tools to track intrinsic crystallographic evolution with atomic accuracy in real time. However, its application to study nonequilibrium structural properties at the two-dimensional limit remains a long-standing challenge due to a significant reduction of diffraction volume and complexity of data analysis. Here, we report femtosecond surface X-ray diffraction in combination with crystallographic model-refinement calculations to quantify the ultrafast structural dynamics of monolayer WSe 2 crystals supported on a substrate. We found the absorbed optical photon energy is preferably coupled to the in-plane lattice vibrations within one picosecond whereas the out-of-plane lattice vibration amplitude remains unchanged during the first ten picoseconds. The model-assisted fitting suggests an asymmetric intralayer spacing change upon excitation. The observed nonequilibrium anisotropic structural dynamics agrees with first-principles modelling in both real and momentum space, marking the distinct structural dynamics of monolayer crystals from their bulk counterparts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Metal-insulator transition induced in CaVO{sub 3} thin films

Stoichiometric CaVO{sub 3} (CVO) thin films of various thicknesses were grown on single crystal SrTiO{sub 3} (STO) (001) substrates using a pulsed electron-beam deposition technique. The CVO films were capped with a 2.5 nm STO layer. We observed a temperature driven metal-insulator transition (MIT) in CVO films with thicknesses below 4 nm that was not observed in either thick CVO films or STO films. The emergence of this MIT can be attributed to the reduction in effective bandwidth due to a crossover from a three-dimensional metal to a two-dimensional insulator. The insulating phase was only induced with a drive current below 0.1 {mu}A. X-ray absorption measurements indicated different electronic structures for thick and very thin films of CVO. Compared with the thick film ({approx}60 nm), thin films of CVO (2-4 nm) were more two-dimensional with the V charge state closer to V{sup 4+}.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Influence of topological edge states on the properties of Al/Bi 2 Se 3 / Al hybrid Josephson devices

In superconductor-topological insulator-superconductor hybrid junctions, the barrier edge states are expected to be protected against backscattering, to generate unconventional proximity effects, and, possibly, to signal the presence of Majorana fermions. The standards of proximity modes for these types of structures have to be settled for a neat identification of possible new entities. Through a systematic and complete set of measurements of the Josephson properties we find evidence of ballistic transport in coplanar Al-Bi 2 Se 3 -Al junctions that we attribute to a coherent transport through the topological edge state. The shunting effect of the bulk only influences the normal transport. This behavior, which can be considered to some extent universal, is fairly independent of the specific features of superconducting electrodes. A comparative study of Shubnikov–de Haas oscillations and scanning tunneling spectroscopy gave an experimental signature compatible with a two-dimensional electron transport channel with a Dirac dispersion relation. In conclusion, a reduction of the size of the Bi 2 Se 3 flakes to the nanoscale is an unavoidable step to drive Josephson junctions in the proper regime to detect possible distinctive features of Majorana fermions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Accelerating particle-in-cell kinetic plasma simulations via reduced-order modeling of space-charge dynamics using dynamic mode decomposition

We present a data-driven reduced-order modeling of the space-charge dynamics for electromagnetic particle-in-cell (EMPIC) plasma simulations based on dynamic mode decomposition (DMD). The dynamics of the charged particles in kinetic plasma simulations such as EMPIC is manifested through the plasma current density defined along the edges of the spatial mesh. We showcase the efficacy of DMD in modeling the time evolution of current density through a low-dimensional feature space. Not only do such DMD based predictive reduced-order models help accelerate EMPIC simulations, they also have the potential to facilitate investigative analysis and control applications. Here, we demonstrate the proposed DMD-EMPIC scheme for reduced-order modeling of current density and speedup in EMPIC simulations involving electron beam under the influence of magnetic field, virtual cathode oscillations, and backward wave oscillator.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1977

Effects of deflected thrust on the stability and performance characteristics of a close-coupled canard fighter configuration

The effect of deflected thrust on the stability and performance of a close-coupled canard fighter configuration are presented. These results were obtained at low speeds in the Langley V/STOL tunnel. Transonic as well as low-speed results are also presented for an unpowered close-coupled canard and a supercruiser configuration. The V/STOL tunnel data indicate an increase in maximum lift and reductions in drag due to lift with the addition of two-dimensional vectored thrust at the wing inboard trailing edge. The longitudinal pitchup associated with the unpowered configuration at higher angles of attack was significantly reduced with power.

Thomas, J. L.↗
NASA NTRS1981

Satellite estimation of the surface energy balance, moisture availability and thermal inertia

A method for inferring the distribution of surface heat and evaporative fluxes and the ground moisture availability and thermal inertia (ground conductive capacity) is used to analyze two urbanized areas, Los Angeles and St. Louis. The technique employs infrared satellite temperature measurements in conjunction with a one-dimensional boundary-layer model. Results show that there is a marked reduction of evaporation and moisture availability and a corresponding elevation of sensible heat flux over urbanized areas and over cropped areas with low vegetative cover. Conversely, low heat flux and high evaporation characterize vegetated and, especially, forested areas. Warm urban centers appear directly related to a reduction in vegetation, which normally allows for a greater fraction of available radiant energy to be converted into latent heat flux. The distribution of thermal inertia was surprisingly ill-defined and its variation between urban and rural areas was quite small. Thus, the increased heat storage within the urban fabric, which has been proposed as the underlying cause of the nocturnal heat island, may be caused mainly by enhanced daytime surface heating which occurs because of surface dryness, rather than by large spatial variations in the conductivity of the surface.

Carlson, T. N.↗
NASA NTRS1997

Simplifying silicon burning: Application of quasi-equilibrium to (alpha) network nucleosynthesis

While the need for accurate calculation of nucleosynthesis and the resulting rate of thermonuclear energy release within hydrodynamic models of stars and supernovae is clear, the computational expense of these nucleosynthesis calculations often force a compromise in accuracy to reduce the computational cost. To redress this trade-off of accuracy for speed, the authors present an improved nuclear network which takes advantage of quasi- equilibrium in order to reduce the number of independent nuclei, and hence the computational cost of nucleosynthesis, without significant reduction in accuracy. In this paper they will discuss the first application of this method, the further reduction in size of the minimal alpha network. The resultant QSE- reduced alpha network is twice as fast as the conventional alpha network it replaces and requires the tracking of half as many abundance variables, while accurately estimating the rate of energy generation. Such reduction in cost is particularly necessary for future generation of multi-dimensional models for supernovae.

Hix, W. R.↗
DOE OSTI2018

An adaptive least-squares global sensitivity method and application to a plasma-coupled combustion prediction with parametric correlation

We introduce an efficient non-intrusive surrogate-based methodology for global sensitivity analysis and uncertainty quantification. Modified covariance-based sensitivity indices (mCov-SI) are defined for outputs that reflect correlated effects. The overall approach is applied to simulations of a complex plasma-coupled combustion system with disparate uncertain parameters in sub-models for chemical kinetics and a laser-induced breakdown ignition seed. The surrogate is based on an Analysis of Variance (ANOVA) expansion, such as widely used in statistics, with orthogonal polynomials representing the ANOVA subspaces and a polynomial dimensional decomposition (PDD) representing its multi-dimensional components. The coefficients of the PDD expansion are obtained using a least-squares regression, which both avoids the direct computation of high-dimensional integrals and affords an attractive flexibility in choosing sampling points. This facilitates importance sampling using a Bayesian calibrated posterior distribution, which is fast and thus particularly advantageous in common practical cases, such as our large-scale demonstration, for which the asymptotic convergence properties of polynomial expansions cannot be realized due to computation expense. Effort, instead, is focused on efficient finite-resolution sampling. Standard covariance-based sensitivity indices (Cov-SI) are employed to account for correlation of the uncertain parameters. Magnitude of Cov-SI is unfortunately unbounded, which can produce extremely large indices that limit their utility. Alternatively, mCov-SI are then proposed in order to bound this magnitude $\in$ [0, 1]. The polynomial expansion is coupled with an adaptive ANOVA strategy to provide an accurate surrogate as the union of several low-dimensional spaces, avoiding the typical computational cost of a high-dimensional expansion. It is also adaptively simplified according to the relative contribution of the different polynomials to the total variance. Finally, the approach is demonstrated for a laser-induced turbulent combustion simulation model, which includes parameters with correlated effects.

42 ENGINEERING↗
NASA NTRS1988

3-D sensing with polar exponential sensor arrays

The present computations for three-dimensional vision involve, in such cases as those of scaling for perspective and optic flow, their reduction to additive operations by the implicit logarithmic transformation of image coordinates. Expressions for such computations are derived and applied to illustrative examples of sensor design. The advantages of polar exponential arrays over X-Y rasters for binocular vision are noted to encompass the inference of range and three-dimensional position from local image velocity without knowledge of pixel location, provided that the relative velocity of the target and sensor are known by some other means.

Weiman, Carl F. R.↗
DOE OSTI2016

THE IMPLICIT CONTRIBUTION OF SLAB MODES TO THE PERPENDICULAR DIFFUSION COEFFICIENT OF PARTICLES INTERACTING WITH TWO-COMPONENT TURBULENCE

We explore the transport of energetic particles in two-component turbulence in which the stochastic magnetic field is assumed to be a superposition of slab and two-dimensional modes. It is known that in magnetostatic slab turbulence, the motion of particles across the mean magnetic field is subdiffusive. If a two-dimensional component is added, diffusion is recovered. It was also shown before that in two-component turbulence, the slab modes do not explicitly contribute to the perpendicular diffusion coefficient. In the current paper, the implicit contribution of slab modes is explored and it is shown that this contribution leads to a reduction of the perpendicular diffusion coefficient. This effect improves the agreement between simulations and analytical theory. Furthermore, the obtained results are relevant for investigations of diffusive shock acceleration.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

The Reducibility of Reactor Physics Depletion and Decay Calculation

Depletion and decay calculations are integral part of reactor physics calculations, necessary to estimate fuel characteristics following a given exposure to radiation. Given the complexity of reactor design and the unprecedented sophistication of the new high fidelity modeling and simulation tools, attempting to calculate a very accurate estimation of fuel characteristics on a pin-by-pin level, there is an ever-increasing need to perform these calculations in a computationally efficient manner. This summary presents a new enabling methodology to achieve higher computational gains while addressing one of the fundamental challenges of existing methods, that is how to preserve the accuracy of the original high fidelity models. This is difficult with current approaches relying on look-up tables or the elimination of non-influential isotopes. To achieve that we employ a reduced order modeling approach which reduces the effective dimensionality of the solution space, represented by the number of tracked nuclides. This approach allows the analyst to devise a user-defined level of reduction supported by rigorous error bounds that quantify the accuracy of the reduced model. This summary explores this new methodology by calculating the effective dimensionality for representative BWR depletion problems that are required to meet user-defined accuracy for the nuclides concentrations. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2019

Carbon doping of WS 2 monolayers: Bandgap reduction and p-type doping transport

Chemical doping constitutes an effective route to alter the electronic, chemical, and optical properties of two-dimensional transition metal dichalcogenides (2D-TMDs). We used a plasma-assisted method to introduce carbon-hydrogen (CH) units into WS 2 monolayers. We found CH-groups to be the most stable dopant to introduce carbon into WS 2 , which led to a reduction of the optical bandgap from 1.98 to 1.83 eV, as revealed by photoluminescence spectroscopy. Aberration corrected high-resolution scanning transmission electron microscopy (AC-HRSTEM) observations in conjunction with first-principle calculations confirm that CH-groups incorporate into S vacancies within WS 2 . According to our electronic transport measurements, undoped WS 2 exhibits a unipolar n-type conduction. Nevertheless, the CH-WS 2 monolayers show the emergence of a p-branch and gradually become entirely p-type, as the carbon doping level increases. Therefore, CH-groups embedded into the WS 2 lattice tailor its electronic and optical characteristics. This route could be used to dope other 2D-TMDs for more efficient electronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Femtosecond laser structuring of silver-containing glass: Silver redistribution, selective etching, and surface topology engineering

Femtosecond direct laser writing in silver-containing phosphate glasses allows for the three-dimensional (3D) implementation of complex photonic structures. Sample translation along or perpendicular to the direction of the beam propagation has been performed, which led to the permanent formation of fluorescent structures, either corresponding to a tubular shape or to two parallel planes at the vicinity of the interaction voxel, respectively. These optical features are related to significant modifications of the local material chemistry. Indeed, silver depletion areas with a diameter below 200 nm were evidenced at the center of the photo-produced structures while photo-produced luminescence properties are attributed to the formation of silver clusters around the multiphoton interaction voxel. The laser-triggered oxidation-reduction processes and the associated photo-induced silver redistribution are proposed to be at the origin of the observed original 3D luminescent structures. Thanks to such material structuring, surface engineering has been also demonstrated. Selective surface chemical etching of the glass has been obtained subsequently to laser writing at the location of the photo-produced structures, revealing features with nanometric depth profiles and radial dimensions strongly related to the spatial distributions of the silver clusters.

36 MATERIALS SCIENCE↗
NASA NTRS2021

Anti-Phase Vortex Reduction Control for Rotor Noise Suppression

An investigation is conducted in 2019 under the NASA Ames Center Innovation Funds (CIF) project entitled “Anti-Phase Vortex Reduction Control for Rotor Noise Suppression“ to experimentally validate an anti-phase rotor noise suppression concept. The first objective of the investigation is to conduct computational fluid dynamics (CFD) simulations to investigate the noise characteristics of several anti-phase rotor designs. The second objective is to conduct a series of acoustic tests of anti-phase rotors in an anechoic chamber at Pennsylvania State University (PSU) to evaluate the merit of the anti-phase rotor concept. The CFD investigation seeks to optimize the anti-phase alternating trailing edge patterns for rotor noise suppression. The design objective is to maximize the noise reduction while maintaining the aerodynamic thrust. The investigation is performed using a three-dimensional (3D) Unsteady Reynolds-Averaged Navier-Stokes (URANS) commercial solver STAR-CCM+ together with the Ffowcs-Williams and Hawkings (FW-H) formula to obtain the aerodynamic thrust and far-field noise level. An acoustic study is conducted for 13 anti-phase design candidates based on a proprietary rotor design. The CAD geometry of the rotor is furnished by PSU. These design candidates include different alternating trailing edge (TE) waveforms, TE segment lengths, TE deflection amplitudes, and transition characteristics. The best design candidate among those explored is an anti-phase rotor that has a four-period TE waveform which results in a reduction in far-field noise level of 2.1 dB in the hover condition and a reduction of 1.1 dB in the forward flight condition at 9.7 m/s. A further acoustic study is conducted for a different rotor manufactured by APC. Five APC rotor design candidates are simulated. The best anti-phase design candidate for the APC rotor results in a reduction in far-field noise level of 4.0 dB in the hover condition. An in-phase design candidate is also studied. This in-phase design provides a noise reduction of 2.5 dB. A series of acoustic experiments in the PSU anechoic chamber have been conducted in July 2019 and October 2019. Both anti-phase and in-phase rotors fabricated for the left-hand and right-hand rotations are tested. In the hover condition, all the rotors do not provide sufficient evidence of improved acoustic performance. However, the experimental data in the hover condition are deemed to be inconclusive due to the flow recirculation in the anechoic chamber caused by the rotor downwash. In the forward flight condition at 9.7 m/s, the anti-phase right-hand rotor produces a noise reduction by as much as 6.5 dB in the frequency range of 2000-4000 Hz, while the in-phase right-hand rotor produces a noise reduction by as much as 5 dB in the same frequency range. Both the anti-phase and in-phase left hand rotors offer no evidence of noise reduction. The difference in the acoustic performance of the left-hand and right-hand rotors could be explained by the location of the microphone array which is placed to the left side of the rotors. This microphone array location could create a bias in the sound pressure level in favor of the right-hand rotor. Using the average noise reduction values, the anti-phase 4H rotor could offer a noise reduction by as much as 3.25 dB while the in-phase 4I rotor could produce up to a 2.5 dB noise reduction. Both the computational and experimental results have provided sufficient evidence to support the noise suppression capability of the proposed anti-phase rotor concepts.

Rotor noise↗
NASA NTRS1991

A parametric study of transonic blade-vortex interaction noise

Several parameters of transonic blade-vortex interactions (BVI) are being studied and some ideas for noise reduction are introduced and tested using numerical simulation. The model used is the two-dimensional high frequency transonic small disturbance equation with regions of distributed vorticity (VTRAN2 code). The far-field noise signals are obtained by using the Kirchhoff method with extends the numerical 2-D near-field aerodynamic results to the linear acoustic 3-D far-field. The BVI noise mechanisms are explained and the effects of vortex type and strength, and angle of attack are studied. Particularly, airfoil shape modifications which lead to noise reduction are investigated. The results presented are expected to be helpful for better understanding of the nature of the BVI noise and better blade design.

Lyrintzis, A. S.↗
DOE OSTI2019

Gold nanoparticles in reverse micellar solutions: preparation, optical properties, and dimensional characteristics

Gold nanoparticles (NPs) were synthesized via chemical (Chem) and radiation-chemical (RadChem) methods for the reduction of ions in reverse micellar solutions (RMS). The gold NP have for the first time been obtained by self-organization (Self-assembly), and their optical properties were evaluated. The formation of Au NP (Chem, RadChem, and Self) was confirmed by the transmission electron microscopy. The spectral characteristics of optical absorption of gold NP in the RMS depend on the solubilization coefficient ω, the salt concentration, and the methods for initiating the primary steps of reduction reactions responsible for the formation of nanoscale structures.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
NASA NTRS2002

Spectral Re-Growth Reduction for CCSDS 8-D 8-PSK TCM

This report presents a study on the CCSDS recommended 8-dimensional 8 PSK Trellis Coded Modulation (TCM) scheme. The important steps of the CCSDS scheme include: conversion of serial data into parallel form, differential encoding, convolutional encoding, constellation mapping, and filtering the 8-PSK symbols using the square root raised cosine (SRRC) pulses. The last step, namely the filtering of the 8 PSK symbols using SRRC pulses, significantly affects the bandwidth of the signal. If a nonlinear power amplifier is used, the SRRC filtered signal creates spectral regrowth. The purpose of this report is to investigate a technique, called the smooth phase interpolated keying (SPIK), that can provide an alternative to SRRC filtering so that good spectral as well as power efficiencies can be obtained with the CCSDS encoder. The results of this study show that the CCSDS encoder does not affect the spectral shape of the SRRC filtered signal or the SPIK signal. When a nonlinear traveling wave tube amplifier (TWTA) is used, the spectral performance of the SRRC signal degrades significantly while the spectral performance of SPIK remains unaffected. The degrading effect of a nonlinear solid state power amplifier (SSPA) on SRRC is found to be less than that due to a nonlinear TWTA. However, in both cases, the spectral performance of the SRRC modulated signal is worse than that of the SPIK signal. The bit error rate (BER) performance of the SRRC signal in a linear amplifier environment is about 2.5 dB better than that of the SPIK signal when both the receivers use algorithms of similar complexity. In a nonlinear TWTA environment, the SRRC signal requires accurate phase tracking since the TWTA introduces additional phase distortion. This problem does not arise with SPIK signal due to its constant envelope property. When a nonlinear amplifier is used, the SRRC method loses nearly 1 dB in the bit error rate performance. The SPIK signal does not lose any performance. Thus the performance gap between SRRC and SPIK reduces. The BER performance of SPIK can be improved even further by using a more optimal receiver. A similar optimal receiver for SRRC is quite complex since the amplifier distorts the pulse shape. However, this requires further investigation and is not covered in this report.

Borah, Deva K.↗