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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 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2019

Frustrated magnetism from local moments in FeSe

We investigate properties of a spin-1 Heisenberg model with extended and biquadratic interactions, which captures crucial aspects of the low energy physics in FeSe. While we show that the model exhibits a rich phase diagram with four different magnetic ordering tendencies, we identify a parameter regime with strong competition between Néel, staggered dimer, and stripelike magnetic fluctuations, accounting for the physical properties of FeSe. We evaluate the spin and Raman responses using exact diagonalization. Through comparison with experiments we find enhanced magnetic frustration between Néel and collinear stripe ordering tendencies, which increases with increasing temperature. As a result, the explanation of these spectral behaviors with this frustrated spin model supports the idea of local spin interactions in FeSe.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Boundary dual of bulk local operators

We provide a procedure to determine if a given nonlocal operator in a large N holographic CFT is dual to a local bulk operator on the geometry associated with a particular code subspace of the CFT. This procedure does not presuppose knowledge of the bulk geometry. We are able to pick out local operators in a large region of the bulk, called the "localizable region,"' that can extend beyond event horizons in certain cases. The method relies heavily on the quantum-error correcting structure of AdS/CFT and, in particular, on entanglement wedge reconstruction. As a byproduct of this machinery, we are able to reconstruct the metric in the localizable region up to a conformal factor. This suggests a connection between our program and the recent light-cone cut approach to bulk reconstruction.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Local Orthorhombicity in the Magnetic C 4 Phase of the Hole-Doped Iron-Arsenide Superconductor Sr 1 - x Na x Fe 2 As 2

We report on temperature-dependent pair distribution function measurements of Sr 1-x Na x Fe 2 As 2 , an iron-based superconductor system that contains a magnetic phase with reentrant tetragonal symmetry, known as the magnetic C 4 phase. Quantitative refinements indicate that the instantaneous local structure in the C 4 phase comprises fluctuating orthorhombic regions with a length scale of similar to 2 nm, despite the tetragonal symmetry of the average static structure. Additionally, local orthorhombic fluctuations exist on a similar length scale at temperatures well into the paramagnetic tetragonal phase. Furthermore, these results highlight the exceptionally large nematic susceptibility of iron-based superconductors and have significant implications for the magnetic C 4 phase and the neighboring C 2 and superconducting phases.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Cu-Local Structures and Their Relation with Nanoscale Electrical Performance in CdTe

For decades, copper has been introduced in CdTe devices to improve overall performance (open circuit voltage, fill factor, and series resistance). While multiple articles have reported on Cu-based defects, very little is known about how the local structure around the copper atom affects electrical performance. Using X-ray Absorption Near Edge Structure (XANES) coupled with X-ray microscopy we investigate good and poor performing region in Cu-doped CdTe devices. Our XANES coupled with theoretical standards by FEFF9 suggest that CU 2 Te phase and Cu Cd may be responsible for the high electrical performance of the regions under study. This correlation of structure-performance at the nanoscale offers a unique framework to understand and tune processes with deep implications to the overall electrical performance of the solar cell.

CdTe↗
DOE OSTI2018

Perspective: Nonequilibrium dynamics of localized and delocalized excitons in colloidal quantum dot solids

Self-assembled quantum dot (QD) solids are a highly tunable class of materials with a wide range of applications in solid-state electronics and optoelectronic devices. In this perspective, the authors highlight how the presence of microscopic disorder in these materials can influence their macroscopic optoelectronic properties. Specifically, they consider the dynamics of excitons in energetically disordered QD solids using a theoretical model framework for both localized and delocalized excitonic regimes. In both cases, they emphasize the tendency of energetic disorder to promote nonequilibrium relaxation dynamics and discuss how the signatures of these nonequilibrium effects manifest in time-dependent spectral measurements. Moreover, they describe the connection between the microscopic dynamics of excitons within the material and the measurement of material specific parameters, such as emission linewidth broadening and energetic dissipation rate.

solar (photovoltaic), solid state lighting, photos↗
DOE OSTI2023

Optimizing Irregular Communication with Neighborhood Collectives and Locality-Aware Parallelism

Irregular communication often limits both the performance and scalability of parallel applications. Typically, applications individually implement irregular communication as point-to-point, and any optimizations are integrated directly into the application. As a result, these optimizations lack portability. It is difficult to optimize point-to-point messages within MPI, as the interface for single messages provides no information on the collection of all communication to be performed. However, the persistent neighbor collective API, released in the MPI 4 standard, provides an interface for portable optimizations of irregular communication within MPI libraries. This paper presents methods for implementing existing optimizations for irregular communication within neighborhood collectives, analyzes the impact of replacing point-to-point communication in existing codebases such as Hypre BoomerAMG with neighborhood collectives, and finally shows up to a 1.38x speedup on sparse matrix-vector multiplication communication within a BoomerAMG solve through the use of our optimized neighbor collectives. Here, the authors analyze three implementations of persistent neighborhood collectives for Alltoallv: an unoptimized wrapper of standard point-to-point communication, and two locality-aware aggregating methods. The second locality-aware implementation exposes an non-standard interface to perform additional optimization, and the authors present the additional 0.07x speedup from the extended interface. All optimizations are available in an open-source codebase, MPI Advance, which sits on top of MPI, allowing for optimizations to be added into existing codebases regardless of the system MPI install.

AMG↗
DOE OSTI2023

A computational fluid dynamics model to estimate local quantities in firebrand char oxidation

Firebrand burning is a complex phenomenon that is influenced by several parameters which are difficult to fully explore experimentally. Computational fluid dynamics models capable of predicting local quantities are essential for accurate prediction of char oxidation in firebrands. This article presents a computational fluid dynamics model to estimate firebrand mass loss, diameter change, and surface temperature during char oxidation. The model was validated using previously conducted wind tunnel experiments. These experiments were conducted for firebrands of two different aspect ratios, which were arranged in three different configurations (single, horizontal array, and vertical array), and for four different wind speeds (0.5, 1, 1.5, and 2 m/s). The computational fluid dynamics results were compared with a previous 1 D model. In all the test cases, the computational fluid dynamics model predicted the physical phenomena with significantly improved accuracy compared to a 1 D model. The char oxidation model presented in this article can be coupled with other models to study firebrand generation and trajectory, biomass pyrolysis, fluidized bed reactors, and coal combustion.

Engineering↗
DOE OSTI2018

Innovative thermal distillation method using solar heat localization

The thermal distillation uses energy to evaporate water and subsequently condense the vapor to liquid form. Waste energy from industrial processes, electricity, or solar energy are the examples of an input energy for thermal distillation systems. In this paper, we have designed, fabricated, and tested an eco-friendly and low- cost distillation system which uses solar heat localization for evaporation of water and later condense the vapor back to liquid as liquid water. The unique feature of this method is the high rate of evaporation when compared to other thermal solar distillation/desalination systems. In this method, the incoming heat is confined to the porous media where bottom layer acts a porous insulator. The capillary force in the porous structure pumps up the liquid water to the hot surface, within the porous medium, where liquid heats up and changes to vapor phase. Since there is no moving part in this method, and due to its independency to electricity, it a great candidate for deployment in remote areas that access to grid power is limited and maintenance is not feasible.

Jaladi, Divya↗
DOE OSTI2018

Discrimination of Anthropogenic Events and Tectonic Earthquakes in Utah Using a Quadratic Discriminant Function Approach with Local Distance Amplitude Ratios

Most of the commonly used seismic discrimination approaches are designed for teleseismic and regional data. To monitor for the smallest events, some of these discriminants have been adapted for local distances (< 200 km), with mixed level of success. For this, we take advantage of the variety of seismic sources, including nontraditionally studied anthropogenic sources and the existence of a dense regional seismic network in the Utah region to evaluate amplitude ratio seismic discrimination at local distances. First, we explored phase-amplitude Pg-to-Sg ratios for multiple frequency bands to classify events in a dataset that comprises populations of single-shot surface explosions, shallow and deep ripple-fired mining blasts, mining-induced events (MIEs), and tectonic earthquakes. We achieved a success rate of about 59%–83%. Then, for the same dataset, we combined the Pg-to-Sg phase-amplitude ratios with Sg-to-Rg spectral amplitude ratios in a multivariate quadratic discriminant function (QDF) approach. For two-category pairwise classification, seven of ten population pairs show misclassification rates of about 20% or less, with five pairs showing rates of about 10% or less. The approach performs best for the pair involving the populations of single-shot explosions and MIEs. By combining both Pg-to-Sg and Rg-to-Sg ratios in the multivariate QDFs, we are able to achieve an average improvement of about 4%–14% in misclassification rates compared with Pg-to-Sg ratios alone. When all five event populations are considered simultaneously, as expected, the potential for misclassification increases, and our QDF approach using both Pg-to-Sg and Rg-to-Sg ratios achieves an average success rate of about 74% compared with the rate of about 86% for two-category pairwise classification.

58 GEOSCIENCES↗
DOE OSTI2016

FERMI LAT STACKING ANALYSIS OF SWIFT LOCALIZED GRBs

We perform a comprehensive stacking analysis of data collected by the Fermi Large Area Telescope (LAT) of γ -ray bursts (GRBs) localized by the Swift spacecraft, which were not detected by the LAT but which fell within the instrument’s field of view at the time of trigger. We examine a total of 79 GRBs by comparing the observed counts over a range of time intervals to that expected from designated background orbits, as well as by using a joint likelihood technique to model the expected distribution of stacked counts. We find strong evidence for subthreshold emission at MeV to GeV energies using both techniques. This observed excess is detected during intervals that include and exceed the durations typically characterizing the prompt emission observed at keV energies and lasts at least 2700 s after the co-aligned burst trigger. By utilizing a novel cumulative likelihood analysis, we find that although a burst’s prompt γ -ray and afterglow X-ray flux both correlate with the strength of the subthreshold emission, the X-ray afterglow flux measured by Swift ’ s X-ray Telescope at 11 hr post trigger correlates far more significantly. Overall, the extended nature of the subthreshold emission and its connection to the burst’s afterglow brightness lend further support to the external forward shock origin of the late-time emission detected by the LAT. These results suggest that the extended high-energy emission observed by the LAT may be a relatively common feature but remains undetected in a majority of bursts owing to instrumental threshold effects.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2016

( HST HST) imaging of the local volume dwarf galaxies Pisces A and B: prototypes for local group dwarfs

We present observations of the Pisces A and B galaxies with the Advanced Camera for Surveys on the Hubble Space Telescope. Photometry from these images clearly resolves a red giant branch (RGB) for both objects, demonstrating that they are nearby dwarf galaxies. We describe a Bayesian inferential approach to determining the distance to these galaxies using the magnitude of the tip of the RGB, and then apply this approach to these galaxies. This reveals the distance to these galaxies as 5.64{sub −0.15}{sup +0.13} Mpc and 8.89{sub −0.85}{sup +0.75} Mpc for Pisces A and B, respectively, placing both within the Local Volume but not the Local Group (LG). We estimate the star formation histories of these galaxies, which suggests that they have recently undergone an increase in their star formation rates. Together these yield luminosities for Pisces A and B of M{sub V}=−11.57{sub −0.05}{sup +0.06} and −12.9 ± 0.2, respectively, and estimated stellar masses of log(M{sub ∗}/M{sub ⊙})=7.0{sub −1.7}{sup +0.4} and 7.5{sub −1.8}{sup +0.3}. We further show that these galaxies are likely at the boundary between nearby voids and higher-density filamentary structure. This suggests that they are entering a higher-density region from voids, where they would have experienced delayed evolution, consistent with their recent increased star formation rates. If this is indeed the case, they are useful for study as proxies of the galaxies that later evolved into typical LG satellite galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Replication Data for: Deconstructing Chirality: Probing Local and Non-local Effects in Azobenzene Derivatives with X-ray Circular Dichroism

Resolving molecular chirality at the atomic scale remains a critical challenge in chemistry. Conventional Optical Circular Dichroism spectroscopy often overlooks subtle and localized structural features. Here, we computationally investigate site-specific X-ray Circular Dichroism (XCD) across a series of trans-azobenzene derivatives to deconstruct and interpret chiroptical signals at the atomic level. Our modeling reveals that XCD is capable of distinguishing dichroic contributions arising from both a local chiral center and global molecular twist, revealing their intricate interplay and potential for constructive or destructive interference. We show that sterically-induced global distortions can dominate the XCD signal in some cases, even suppressing the response from the chiral center itself. This insight suggests a new molecular design principle for tuning chiroptical activity, which we extend by proposing strategies to achieve unidirectional photoisomerization through steric gearing. Altogether, this work establishes a quantitative framework for engineering chiroptical responses, laying the foundation for the design of functional chiral systems utilizing principles of unidirectional molecular motor-like conformational dynamics.

Chemistry↗
NASA NTRS1977

Instantaneous relationship between solar inertial and local vertical local horizontal attitudes

The instantaneous relationship between the Solar Inertial (SI) and Local Vertical Local Horizontal (LVLH) coordinate systems is derived. A method is presented for computation of the LVLH to SI rotational transformation matrix as a function of an input LVLH attitude and the corresponding look angles to the sun. Logic is provided for conversion between LVLH and SI attitudes expressed in terms of a pitch, yaw, roll Euler sequence. Documentation is included for a program which implements the logic on the Hewlett-Packard 97 programmable calculator.

Vickery, S. A.↗
NASA NTRS1977

A local earthquake coda magnitude and its relation to duration, moment M sub O, and local Richter magnitude M sub L

A relationship was found between the seismic moment, M sub O, of shallow local earthquakes and the total duration of the signal, t, in seconds, measured from the earthquakes origin time, assuming that the end of the coda is composed of backscattering surface waves due to lateral heterogenity in the shallow crust following Aki. Using the linear relationship between the logarithm of M sub O and the local Richter magnitude M sub L, a relationship between M sub L and t, was found. This relationship was used to calculate a coda magnitude M sub C which was compared to M sub L for Southern California earthquakes which occurred during the period from 1972 to 1975.

Suteau, A. M.↗
NASA NTRS1989

Global functions in global-local finite-element analysis of localized stresses in prismatic structures

An important consideration in the global local finite-element method (GLFEM) is the availability of global functions for the given problem. The role and mathematical requirements of these global functions in a GLFEM analysis of localized stress states in prismatic structures are discussed. A method is described for determining these global functions. Underlying this method are theorems due to Toupin and Knowles on strain energy decay rates, which are related to a quantitative expression of Saint-Venant's principle. It is mentioned that a mathematically complete set of global functions can be generated, so that any arbitrary interface condition between the finite element and global subregions can be represented. Convergence to the true behavior can be achieved with increasing global functions and finite-element degrees of freedom. Specific attention is devoted to mathematically two-dimensional and three-dimensional prismatic structures. Comments are offered on the GLFEM analysis of NASA flat panel with a discontinuous stiffener. Methods for determining global functions for other effects are also indicated, such as steady-state dynamics and bodies under initial stress.

Dong, Stanley B.↗