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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 1,495 records · Page 83
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Analytical optimal pulse shapes obtained with the aid of genetic algorithms

We propose a methodology to design optimal pulses for achieving quantum optimal control on molecular systems. Our approach constrains pulse shapes to linear combinations of a fixed number of experimentally relevant pulse functions. Quantum optimal control is obtained by maximizing a multi-target fitness function using genetic algorithms. As a first application of the methodology, we generated an optimal pulse that successfully maximized the yield on a selected dissociation channel of a diatomic molecule. Our pulse is obtained as a linear combination of linearly chirped pulse functions. Data recorded along the evolution of the genetic algorithm contained important information regarding the interplay between radiative and diabatic processes. We performed a principal component analysis on these data to retrieve the most relevant processes along the optimal path. Our proposed methodology could be useful for performing quantum optimal control on more complex systems by employing a wider variety of pulse shape functions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Soil microbial community response to corrinoids is shaped by a natural reservoir of vitamin B12

Abstract Soil microbial communities perform critical ecosystem services through the collective metabolic activities of numerous individual organisms. Most microbes use corrinoids, a structurally diverse family of cofactors related to vitamin B12. Corrinoid structure influences the growth of individual microbes, yet how these growth responses scale to the community level remains unknown. Analysis of metagenome-assembled genomes suggests that corrinoids are supplied to the community by members of the archaeal and bacterial phyla Thermoproteota, Actinobacteria, and Proteobacteria. Corrinoids were found largely adhered to the soil matrix in a grassland soil, at levels exceeding those required by cultured bacteria. Enrichment cultures and soil microcosms seeded with different corrinoids showed distinct shifts in bacterial community composition, supporting the hypothesis that corrinoid structure can shape communities. Environmental context influenced both community- and taxon-specific responses to specific corrinoids. These results implicate corrinoids as key determinants of soil microbiome structure and suggest that environmental micronutrient reservoirs promote community stability.

58 GEOSCIENCES↗
DOE OSTI2017

Anatomy of Ag/Hafnia-Based Selectors with 10 10 Nonlinearity

We developed a novel Ag/oxide-based threshold switching device with attractive features including ≈10 10 nonlinearity. Furthermore, in a high-resolution transmission electron microscopic analysis of the nanoscale crosspoint device it is suggested that elongation of an Ag nanoparticle under voltage bias followed by spontaneous reformation of a more spherical shape after power off, is responsible for the observed threshold switching.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Study of the Effect of Pr Doping on Structural, Morphological and Magnetic Properties of Nickel Ferrite

Praseodymium rare earth ion (Pr{sup 3+}) doped nickel ferrite (NiFe{sub 2−x}Pr{sub x}O{sub 4}, 0 < x< 0.1) nanocrystals (NFPO) were synthesized by hydrothermal method. The structural, morphological and magnetic properties of the prepared samples have been studied. The x-ray diffraction (XRD) and fourier transform infrared (FTIR) techniques confirmed the phase formation of the NFPO nanocrystals. The average crystallite size of NFPO nanoparticles found to be in the range 39 to 44 nm. The presence of Pr ions in NFPO was confirmed by energy-dispersive x-ray (EDX) analysis. It has been observed that after a certain amount of Pr doping, the morphology of the nanocrystals starts changing from nano-octahedrons to nanorods shape, as confirmed by transmission electron microscopy (TEM). Also, the magnetic properties of the prepared nanocrystals were measured using physical properties measurement system (PPMS) at 10 K and 300 K. The saturation magnetization (Ms) first decreases with the increasing loading amount of Pr ions up to (x = 0.025) and later it increases at both the temperatures. However, the value of coercivity shows an increasing trend with the increasing amount of Pr ions in NFPO at room temperature.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Reliable Thermoelectric Module Design under Opposing Requirements from Structural and Thermoelectric Considerations

Structural reliability of thermoelectric generation (TEG) systems still remains an issue especially for applications such as large scale industrial or automobile exhaust heat recovery where a TEG system is subject to dynamic loads and thermal cycling. Traditional thermoelectric (TE) system design and optimization techniques, focused on performance alone, could result in designs that may fail during operation as the geometric requirements for optimal performance (especially the power) are often in conflict with the requirements for mechanical reliability. This study focused on reducing the thermomechanical stresses in a TEG system without compromising the optimized system performance. Finite element simulations were carried out to study the effect of TE element (leg) geometry such as the leg length and cross-sectional shape under constrained material volume requirements. Results indicated that the element length has a major influence on the element stresses whereas the regular cross-sectional shapes have minor influence. Additionally, the impact of TE element stresses on the mechanical reliability is evaluated with the brittle material failure theory based on Weibull analysis. An alternate couple configuration that relies on the industry practice of redundant element design is investigated. Results showed that the alternate configuration considerably reduced the TE element and metallization stresses thereby enhancing the structural reliability with little trade-off in the optimized performance. The proposed alternate configuration could serve as a potential design modification for improving the reliability of systems optimized for thermoelectric performance.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Manufacturing of magnesium/aluminum bimetallic ring components by friction stir assisted simultaneous forging and solid-state joining

Here, a bimetallic ring component is forged by a friction stir assisted forging (FS-forging). A cylindrical bimetallic blank, magnesium AZ31 cylinder (Mg core) tightly fitted inside an aluminum 6061-T6 tube (Al skin), is used. In the FS-forging, the frictional heat and stirring of rotating tool forge the blank into a desired shape, while simultaneously generate a solid-state joint between the Mg core and the Al skin, without additional external heating, as confirmed by the microstructural analysis and mechanical tests. The microstructural analysis also shows that the characteristics of the solid-state joint can be different depending on the process parameters.

42 ENGINEERING↗
DOE OSTI2023

Temporal Ni K-Edge X-ray Absorption Spectroscopy Study Reveals the Kinetics of the Ni Redox Behavior of the Iron-Nickel Oxide Bimetallic OER Catalyst

Operando X-ray absorption spectroscopy (XAS) can be utilized to probe the phase and structural changes of FeNiOx and similar transition metal oxide electrocatalysts during electrocatalytic reactions. However, capturing the temporal changes occurring in the operando chemistry of electrocatalysts has been little studied. Here, in this work, we successfully capture the time-resolved changes at the Ni K-edge for both the X-ray absorption near-edge structure (XANES) and extended X-ray absorption fine structure (EXAFS) regions of an aqueous phase synthesized FeNiO x bimetallic nanoparticle electrocatalyst. During a stepped voltage experiment, the temporal change in the Ni K-edge was observed as the applied voltage was stepped from 0.7 to 0.8 V versus the silver/silver chloride reference electrode, and the change observed is associated with the Ni redox transition from the 2+ to 3+/4+ oxidation state. Individual XAS spectra were obtained in 90 s, and a total of 9 scans post voltage step showed a unique transition from a hydroxide to an oxyhydroxide phase. The shift in absorption edge energy position and the changes in spectral shape for individual scans explain the typically observed broadening of the Ni K-edge XANES spectrum during time-averaged operando XAS, and a kinetic analysis revealed a first-order observed rate constant, |k obs |, of 0.00426 s –1 and a half-life (t 1/2 ) of 163 s. Multivariate curve resolution-alternating least squares analysis followed by linear combination fitting analysis for time-averaged versus time-resolved Ni K-edge changes upon voltage step show distinct differences in estimated contributions from Ni 2+ oxide/hydroxide phases. Detailed EXAFS modeling shows the phase transition from hydroxide to oxyhydroxide on top of the unchanged metallic core.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Strain-Modified Raman Responses in Monolayer MoS 2 Nanobubbles Resolved at 5 nm

The formation of nanoscale bubbles is an unavoidable consequence during the transfer of two-dimensional materials onto target substrates, driven by van der Waals interactions at the interface. While often viewed as imperfections, these nanoscale bubbles have garnered considerable scientific interest due to the substantial in-plane strain gradients they induce, which in turn give rise to a variety of intriguing optoelectronic effects, particularly in semiconducting transition metal dichalcogenides. Determining and analyzing the strain distribution within nanobubbles at the nanoscale is crucial for advancing our understanding of these underlying strain-induced effects. Here, we present a high-resolution scanning tunneling microscopy-based tip-enhanced Raman spectroscopic investigation of localized nanoscale strain distribution within the nanobubbles formed between monolayer MoS 2 and Au interface. By employing cryogenic temperature (78 K), we successfully differentiate the nanoscale Raman signatures between nanobubble edge and pristine MoS 2 . We verify a maximum tensile strain of ∽1.15–1.34% at the nanobubble edge, which gradually diminishes toward the center, yielding a cross-sectional strain profile consistent with a doughnut-shaped distribution. Furthermore, we report to achieve ∽5 nm spatial resolution in probing such edge-localized strain within the nanobubble. In addition, comparative average strain analysis of such MoS 2 nanobubbles is conducted via geometric mechanistic analysis such as membrane and nonlinear plate theories, providing key insight into the geometric nature near the bubble edge. Our work provide fundamental information about strain-induced nanoscale chemical understanding of 2D materials on the nanometer scale, paving the way for practical applications of nanobubbles in strain-engineered optoelectronic devices.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Recreating the California New Year's Flood Event of 1997 in a Regionally Refined Earth System Model

Abstract The 1997 New Year's flood event was the most costly in California's history. This compound extreme event was driven by a category 5 atmospheric river that led to widespread snowmelt. Extreme precipitation, snowmelt, and saturated soils produced heavy runoff causing widespread inundation in the Sacramento Valley. This study recreates the 1997 flood using the Regionally Refined Mesh capabilities of the Energy Exascale Earth System Model (RRM‐E3SM) under prescribed ocean conditions. Understanding the processes causing extreme events informs practical efforts to anticipate and prepare for such events in the future, and also provides a rich context to evaluate model skill in representing extremes. Three California‐focused RRM grids, with horizontal resolution refinement of 14 km down to 3.5 km, and six forecast lead times, 28 December 1996 at 00Z through 30 December 1996 at 12Z, are assessed for their ability to recreate the 1997 flood. Planetary to synoptic scale atmospheric circulations and integrated vapor transport are weakly influenced by horizontal resolution refinement over California. Topography and mesoscale circulations, such as the Sierra barrier jet, are better represented at finer horizontal resolutions resulting in better estimates of storm total precipitation and storm duration snowpack changes. Traditional time‐series and causal analysis frameworks are used to examine runoff sensitivities state‐wide and above major reservoirs. These frameworks show that horizontal resolution plays a more prominent role in shaping reservoir inflows, namely the magnitude and time‐series shape, than forecast lead time, 2‐to‐4 days prior to the 1997 flood onset.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2014

Determination of charge-carrier diffusion length in the photosensing layer of HgCdTe n-on-p photovoltaic infrared focal plane array detectors

In the present paper, we propose a method for evaluating the bulk diffusion length of minority charge carriers in the photosensing layer of photovoltaic focal plane array (FPA) photodetectors. The method is based on scanning a strip-shaped illumination spot with one of the detector diodes at a low level of photocurrents j{sub ph} being registered; such scanning provides data for subsequent analysis of measured spot-scan profiles within a simple diffusion model. The asymptotic behavior of the effective (at j{sub ph} ≠ 0) charge-carrier diffusion length l{sub d} {sub eff} as a function of j{sub ph} for j{sub ph} → 0 inferred from our experimental data proved to be consistent with the behavior of l{sub d} {sub eff} vs j{sub ph} as predicted by the model, while the obtained values of the bulk diffusion length of minority carriers (electrons) in the p-HgCdTe film of investigated HgCdTe n-on-p FPA photodetectors were found to be in a good agreement with the previously reported carrier diffusion-length values for HgCdTe.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

HELIOSPHERIC ENERGETIC NEUTRAL HYDROGEN MEASURED WITH ASPERA-3 AND ASPERA-4

We re-analyze the signal of non-planetary energetic neutral atoms (ENAs) in the 0.4-5.0 keV range measured with the Neutral Particle Detector (NPD) of the ASPERA-3 and ASPERA-4 experiments on board the Mars and Venus Express satellites. Due to improved knowledge of sensor characteristics and exclusion of data sets affected by instrument effects, the typical intensity of the ENA signal obtained by ASPERA-3 is an order of magnitude lower than in earlier reports. The ENA intensities measured with ASPERA-3 and ASPERA-4 now agree with each other. In the present analysis, we also correct the ENA signal for Compton-Getting and for ionization loss processes under the assumption of a heliospheric origin. We find spectral shapes and intensities consistent with those measured by the Interstellar Boundary Explorer (IBEX). The principal advantage of ASPERA with respect to the IBEX sensors is the two times better spectral resolution. In this study, we discuss the physical significance of the spectral shapes and their potential variation across the sky. At present, these observations are the only independent test of the heliospheric ENA signal measured with IBEX in this energy range. The ASPERA measurements also allow us to check for a temporal variation of the heliospheric signal as they were obtained between 2003 and 2007, whereas IBEX has been operational since the end of 2008.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Diffuse γ-ray emission from unresolved BL Lac objects

Blazars, active galactic nuclei with a jet pointing toward the Earth, represent the most abundant class of high-energy extragalactic γ-ray sources. The subset of blazars known as BL Lac objects is on average closer to Earth (i.e., younger) and characterized by harder spectra at high energy than the whole sample. The fraction of BL Lacs that is too dim to be detected and resolved by current γ-ray telescopes is therefore expected to contribute to the high-energy isotropic diffuse γ-ray background (IGRB). The IGRB has been recently measured over a wide energy range by the Large Area Telescope (LAT) on board the Gamma-ray Space Telescope (Fermi). We present a new prediction of the diffuse γ-ray flux due to the unresolved BL Lac blazar population. The model is built upon the spectral energy distribution and the luminosity function derived from the fraction of BL Lacs detected (and spectrally characterized) in the γ-ray energy range. We focus our attention on the O(100) GeV energy range, predicting the emission up to the TeV scale and taking into account the absorption on the extragalactic background light. In order to better shape the BL Lac spectral energy distribution, we combine the Fermi-LAT data with Imaging Atmospheric Cerenkov Telescope measurements of the most energetic sources. Our analysis is carried on separately for low- and intermediate-synchrotron-peaked BL Lacs on the one hand and high-synchrotron-peaked BL Lacs on the other hand: we find in fact statistically different features for the two. The diffuse emission from the sum of both BL Lac classes increases from about 10% of the measured IGRB at 100 MeV to ∼100% of the data level at 100 GeV. At energies greater than 100 GeV, our predictions naturally explain the IGRB data, accommodating their softening with increasing energy. Uncertainties are estimated to be within of a factor of two of the best-fit flux up to 500 GeV.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

The principle of minimal power

This article is devoted to the memory of Yuri P Raizer, who passed away in 2021. He left a noticeable trace in gas discharge physics. The principle of minimal power (the state that requires minimal power is most probable) is thoroughly used in his books. Although the fundamental laws of physics do not imply this ad hoc principle, a detailed analysis of underlying phenomena can often reveal why nature prefers this path. Raizer illustrated this principle for plasma stratification, formation of electrode spots, discharge constriction, the shape of an arc channel, etc. We argue that the nonlinearity of equations describing gas discharges can often justify the realization of a plasma state maintained at minimal electric power. This nonlinearity appears because small groups of energetic electrons often control the ionization processes. The number of these electrons depends strongly on the ratio of the electric field to gas density, E/N. Under certain conditions, the ionization rate can also depend nonlinearly on electron density due to stepwise ionization and Coulomb collisions. Here, we use the principle of minimal power to illustrate some of Raizer's contributions to gas discharge physics from a single point of view. We demonstrate that nonlinearity of ionization processes in gas discharges can substantiate this principle for plasma stratification. However, striations of s, p, and r types in neon could exist with minimal or no ionization enhancement. This reminds us of Raizer's warning that applying the minimal power principle could lead to erroneous predictions, and a proper theory is required in each case to justify its use. 'The phenomenon of striations satisfies the principle of minimal power' – Yuri Raizer

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Testing Lorentz invariance of dark matter with satellite galaxies

We develop the framework for testing Lorentz invariance in the dark matter sector using galactic dynamics. We consider a Lorentz violating (LV) vector field acting on the dark matter component of a satellite galaxy orbiting in a host halo. We introduce a numerical model for the dynamics of satellites in a galactic halo and for a galaxy in a rich cluster to explore observational consequences of such an LV field. The orbital motion of a satellite excites a time dependent LV force which greatly affects its internal dynamics. Our analysis points out key observational signatures which serve as probes of LV forces. These include modifications to the line of sight velocity dispersion, mass profiles and shapes of satellites. With future data and a more detailed modeling these signatures can be exploited to constrain a new region of the parameter space describing the LV in the dark matter sector.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Feedback control design for non-inductively sustained scenarios in NSTX-U using TRANSP

This paper examines a method for real-time control of non-inductively sustained scenarios in NSTX-U by using TRANSP, a time-dependent integrated modeling code for prediction and interpretive analysis of tokamak experimental data, as a simulator. The actuators considered for control in this work are the six neutral beam sources and the plasma boundary shape. To understand the response of the plasma current, stored energy, and central safety factor to these actuators and to enable systematic design of control algorithms, simulations were run in which the actuators were modulated and a linearized dynamic response model was generated. A multi-variable model-based control scheme that accounts for the coupling and slow dynamics of the system while mitigating the effect of actuator limitations was designed and simulated. Simulations show that modest changes in the outer gap and heating power can improve the response time of the system, reject perturbations, and track target values of the controlled values.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Dissecting subcycle interference in photoelectron holography

Multipath holographic interference in strong-field quantum tunnel ionization is key to revealing subangstrom attosecond dynamics for molecular movies. This critical subcycle motion is often obscured by longer timescale effects such as ring-shaped patterns that appear in above-threshold ionization (ATI). In the present work, we overcome this problem by combining two techniques in theory and experimental analysis: unit-cell averaging and time-filtering data and simulations. Together these suppress ATI rings and enable an unprecedented highly detailed quantitative match between strong-field ionization experiments in argon and the Coulomb-quantum orbit strong-field approximation (CQSFA) theory. Velocity map images reveal fine modulations on the holographic spiderlike interference fringes that form near the polarization axis. CQSFA theory traces this to the interference of three types of electron pathways. The level of agreement between experiment and theory allows sensitive determination of quantum phase differences and symmetries, providing an important tool for quantitative dynamical imaging in quantum systems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Introductory guide to the application of XPS to epitaxial films and heterostructures

XPS is an important characterization method for epitaxial films and heterostructures. Although standard approaches to XPS data collection and analysis provide useful information such as average composition and the presence of contaminants, more in-depth analysis provides information about film structure, surface termination, built-in electric potentials and band offsets. The high degree of structural order in these materials enables such information to be extracted from spectral data but also adds complications to the analysis. This guide highlights three topics of importance in this field: i) the impacts of crystallinity on XPS signals and quantification, ii) the unexpected spectral line shapes that can occur in unusual or novel materials, and, iii) the ability of XPS to yield information about built-in potentials and band offsets. Concepts are demonstrated using complex oxide heterostructures. Although the topics are highly relevant to epitaxial films and heterostructures, they also apply to signal crystals of complex materials

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

SU-E-T-646: Quality Assurance of Truebeam Multi-Leaf Collimator Using a MLC QA Phantom

Purpose: To perform a routine quality assurance procedure for Truebeam multi-leaf collimator (MLC) using MLC QA phantom, verify the stability and reliability of MLC during the treatment. Methods: MLC QA phantom is a specialized phantom for MLC quality assurance (QA), and contains five radio-opaque spheres that are embedded in an “L” shape. The phantom was placed isocentrically on the Truebeam treatment couch for the tests. A quality assurance plan was setted up in the Eclipse v10.0, the fields that need to be delivered in order to acquire the necessary images, the MLC shapes can then be obtained by the images. The images acquired by the electronic portal imaging device (EPID), and imported into the PIPSpro software for the analysis. The tests were delivered twelve weeks (once a week) to verify consistency of the delivery, and the images are acquired in the same manner each time. Results: For the Leaf position test, the average position error was 0.23mm±0.02mm (range: 0.18mm∼0.25mm). The Leaf width was measured at the isocenter, the average error was 0.06mm±0.02mm (range: 0.02mm∼0.08mm) for the Leaf width test. Multi-Port test showed the dynamic leaf shift error, the average error was 0.28mm±0.03mm (range: 0.2mm∼0.35mm). For the leaf transmission test, the average inter-leaf leakage value was 1.0%±0.17% (range: 0.8%∼1.3%) and the average inter-bank leakage value was 32.6%±2.1% (range: 30.2%∼36.1%). Conclusion: By the test of 12 weeks, the MLC system of the Truebeam is running in a good condition and the MLC system can be steadily and reliably carried out during the treatment. The MLC QA phantom is a useful test tool for the MLC QA.

62 RADIOLOGY AND NUCLEAR MEDICINE↗