Search NASA⌕ Search

SEARCH · Search NASA

Results for “Signature Science”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 721 records · Page 40
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

A Unified Workflow for Sensitivity-Based Kinetic Analysis in Microkinetic Models

Degrees of rate control (DRC), apparent activation energies, and apparent reaction orders are established local sensitivity diagnostics for interpreting microkinetic models, but applying them routinely to large mechanisms often requires substantial reaction-specific bookkeeping, perturbation design, and postprocessing. Here, in this study, we present a unified derivative-based workflow that evaluates these quantities from a single compiled reaction-network model and target-rate definition. For any user-provided microkinetic model, the workflow compiles the mechanism into stoichiometrically consistent mass-action rate equations, solves the surface dynamics, and uses automatic differentiation to compute sensitivities with respect to rate constants, temperature, and gas partial pressures. By combining their calculations in the same framework, the workflow clearly demonstrates the relationships between different DRCs and the apparent activation energy. Using existing examples of propylene partial oxidation and methane oxidation on Pd(100), we verify expected transient redistribution of rate control, distinguish net Campbell DRCs from one-sided directional sensitivities, and show how apparent activation energy can be reconstructed either from one-sided DRCs or from state-based DRCs while critical mechanistic insights are obtained consistently. In the methane oxidation case, a pathway-subset test further illustrates how a simplified mechanism preserves key kinetic signatures of a full model, showing the potential of our user-friendly tool for model construction beyond kinetic analysis.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Crystal Synthesis and Frustrated Magnetism in Triangular Lattice Cs RE Se 2 ( RE = La–Lu): Quantum Spin Liquid Candidates CsCeSe 2 and CsYbSe 2

A triangular lattice selenide series of rare earths (RE), CsRESe 2 , were synthesized as large single crystals, using a flux growth method. This series stabilized in either trigonal (R$\overline{3m}$) or hexagonal (P6 3 /mmc) crystal systems. Physical properties of CsRESe 2 were explored by magnetic susceptibility and heat capacity measurements down to 0.4 K. Antiferromagnetic interaction was observed in all magnetic compounds, while no long-range magnetic order was found, indicating the frustrated magnetism. CsDySe 2 presents spin freezing at 0.7 K, revealing a spin-glass state. CsCeSe 2 and CsYbSe 2 present broad peaks at 0.7 and 1.5 K, respectively, in the magnetization, suggesting the short-range interactions between magnetic RE ions. Furthermore, the lack of signature for long-range magnetic order and spin freezing down to 0.4 K in these compounds (RE = Ce, Yb) implies their candidacy for a quantum spin liquid state.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Ti- and Fe-related charge transition levels in $β$ – Ga 2 O 3

Here, deep-level transient spectroscopy measurements on $β$ – Ga 2 O 3 crystals reveal the presence of three defect signatures labeled $E$ 2a , $E$ 2b , and $E$ 3 with activation energies at around 0.66 eV, 0.73 eV, and 0.95 eV below the conduction band edge. Using secondary ion mass spectrometry, a correlation between the defect concentration associated with $E$ 3 and the Ti concentration present in the samples was found. Particularly, it is found that $E$ 3 is the dominant Ti-related defect in $β$ – Ga 2 O 3 and is associated with a single Ti atom. This finding is further corroborated by hybrid functional calculations that predict Ti substituting on an octahedral Ga site, denoted as Ti GaII , to be a good candidate for $E$ 3 . Moreover, the deep level transient spectroscopy results show that the level previously labeled $E$ 2 and attributed to Fe substituting on a gallium site (FeGa) consists of two overlapping signatures labeled E2a and E2b. We tentatively assign $E$ 2a and $E$ 2b to Fe substituting for Ga on a tetrahedral or an octahedral site, respectively.

36 MATERIALS SCIENCE↗
DOE OSTI2021

GdN/SmN superlattices; influence of a Zeeman/exchange conflict

GdN and SmN are two of the lanthanide nitrides, most of which are intrinsic ferromagnetic semiconductors. Superlattices comprising the pair offer a unique opportunity to investigate heterojunctions that feature simultaneous conductivity and magnetic interface influences. In this work, we report an investigation of these influences, using magnetisation and X-ray magnetic circular dichroism for magnetic effects, and magnetoresistance and Hall effect studies of their electrical conductance. Magnetic data show clear signatures of a conflicting Zeeman vs. interfacial exchange and the magnetic disruption that results, while resistivity and Hall measurements show conduction in both GdN and SmN.

36 MATERIALS SCIENCE↗
DOE OSTI2014

TU-F-12A-09: GLCM Texture Analysis for Normal-Tissue Toxicity: A Prospective Ultrasound Study of Acute Toxicity in Breast-Cancer Radiotherapy

Purpose: To evaluate the morphologic and structural integrity of the breast glands using sonographic textural analysis, and identify potential early imaging signatures for radiation toxicity following breast-cancer radiotherapy (RT). Methods: Thirty-eight patients receiving breast RT participated in a prospective ultrasound imaging study. Each participant received 3 ultrasound scans: 1 week before RT (baseline), and at 6-week and 3-month follow-ups. Patients were imaged with a 10-MHz ultrasound on the four quadrant of the breast. A second order statistical method of texture analysis, called gray level co-occurrence matrix (GLCM), was employed to assess RT-induced breast-tissue toxicity. The region of interest (ROI) was 28 mm × 10 mm in size at a 10 mm depth under the skin. Twenty GLCM sonographic features, ratios of the irradiated breast and the contralateral breast, were used to quantify breast-tissue toxicity. Clinical assessment of acute toxicity was conducted using the RTOG toxicity scheme. Results: Ninety-seven ultrasound studies (776 images) were analyzed; and 5 out of 20 sonographic features showed significant differences (p < 0.05) among the baseline scans, the acute toxicity grade 1 and 2 groups. These sonographic features quantified the degree of tissue damage through homogeneity, heterogeneity, randomness, and symmetry. Energy ratio value decreased from 108±0.05 (normal) to 0.99±0.05 (Grade 1) and 0.84±0.04 (Grade 2); Entropy ratio value increased from 1.01±0.01 to 1.02±0.01 and 1.04±0.01; Contrast ratio value increased from 1.03±0.03 to 1.07±0.06 and 1.21±0.09; Variance ratio value increased from 1.06±0.03 to 1.20±0.04 and 1.42±0.10; Cluster Prominence ratio value increased from 0.98±0.02 to 1.01±0.04 and 1.25±0.07. Conclusion: This work has demonstrated that the sonographic features may serve as imaging signatures to assess radiation-induced normal tissue damage. While these findings need to be validated in a larger cohort, they suggest that ultrasound imaging may be used to improve early detection of normal-tissue toxicity in breast-cancer RT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2021

Ecogenomics of Groundwater Phages Suggests Niche Differentiation Linked to Specific Environmental Tolerance

To our knowledge, this is the first study to identify the bacteriophage distribution in a groundwater ecosystem shedding light on their prevalence and distribution across metal-contaminated and background sites. Our study is uniquely based on selective sequencing of solely the extrachromosomal elements of a microbiome followed by analysis for viral signatures, thus establishing a more focused approach for phage identifications.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Development of Optical Fiber-Based Sensors for Nuclear Microreactor Structural Health Monitoring

This report provides an experimental assessment of two different optical fiber–based acoustic sensors that are being investigated for application in nuclear microreactors to enhance structural health monitoring capabilities. Optical fibers are resilient in high-temperature and high-radiation environments, have a small sensor footprint, are immune to electromagnetic interference, and are capable of spatially distributed sensing. The two sensors investigated here are (1) Fabry–Pérot Cavities (FPCs) between two copper-coated fibers, embedded in nickel capillary tubes and (2) type-I fiber Bragg grating (FBG) arrays contained within metal capillary tubes. These sensors can be interrogated using low-coherence interferometry or swept wavelength interferometry, respectively, to measure the resonant frequencies of the components or systems to which these sensors are bonded. The FPC developed herein has been subjected to temperatures up to nearly 800°C while tack-welded to a tubular test specimen. Even at the highest temperatures, the measured resonant frequencies compared well with those obtained using an accelerometer that was bonded to an unheated portion of the specimen. The FBG array was tested in multiple bonding configurations to a tubular test specimen, all at room temperature, with the understanding that high temperature (i.e., type II) FBGs could be used to obtain similar data at high temperatures; the FBG array data were validated with noncontact laser vibrometry, which is being used at Los Alamos National Laboratory to relate acoustic signatures to component stresses and/or structural defects. The goal of this work is to identify the most promising techniques that are also compatible with operation in a microreactor environment.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Characterizing Natural Organic Matter Transformations by Microbial Communities in Terrestrial Subsurface Ecosystems: A Critical Review of Analytical Techniques and Challenges

Determining the mechanisms, traits, and pathways that regulate microbial transformation of natural organic matter (NOM) is critical to informing our understanding of the microbial impacts on the global carbon cycle. The capillary fringe of subsurface soils is a highly dynamic environment that remains poorly understood. Characterization of organo-mineral chemistry combined with a nuanced understanding of microbial community composition and function is necessary to understand microbial impacts on NOM speciation in the capillary fringe. We present a critical review of the popular analytical and omics techniques used for characterizing complex carbon transformation by microbial communities and focus on how complementary information obtained from the different techniques enable us to connect chemical signatures with microbial genes and pathways. This holistic approach offers a way forward for the comprehensive characterization of the formation, transformation, and mineralization of terrestrial NOM as influenced by microbial communities.

59 BASIC BIOLOGICAL SCIENCES↗
NASA NTRS2016

Detection of Northern Hemisphere Transient Baroclinic Eddies at Gale Crater Mars

The Rover Environmental Monitoring Station (REMS) on the Mars Science Laboratory’s (MSL) Curiosity rover has been operating in Gale Crater Mars (4.5°S, 137.4°E) for over 2 Mars years. Analysis of its pressure data, which have a precision of approximately 0.2 Pa (see Haberle et al., 2014; Harri et al., 2014), reveal temporal oscillations in its seasonally de-trended daily averaged pressures at some seasons with 2-5 Pa amplitudes that have periods similar to those observed at the Viking Lander 2 (VL-2) site (48.3°N, 134.0°E) several decades ago. As illustrated in Fig 1 there are clear peaks in the variance at a frequency f approximately 0.45 and 0.06 per sol for the fall season of Mars Year (MY) 31, and at f approximately 0.15 and 0.06 per sol for MY 32. These frequencies correspond to periods of 2.2, 6.7, and 16.7 sols, and are very similar to those observed at VL-2 (Fig 2, and see Barnes, 1980). Since orbital imaging data show dust frontal systems associated with eastward traveling baroclinic eddies that occasionally cross the equator (Wang et al., 2003), these findings suggest that MSL may be seeing their signature in its pressure data. To make this case we show that (a) the spectral peaks in the MSL are not only similar to those at VL-2, they have the same seasonal variation, (b) at least for some seasons the peaks are statistically significant and not likely due to random noise in the data, and (c) Global Circulation Model (GCM) results from the Ames GCM support this interpretation.

The Rover Environmental Monitoring Station (REMS)↗
DOE OSTI2015

Snapshots of Proton Accommodation at a Microscopic Water Surface: Understanding the Vibrational Spectral Signatures of the Charge Defect in Cryogenically Cooled H+(H2O)n=2 – 28 Clusters

In this Article, we review the role of gas-phase, size-selected protonated water clusters, H+(H2O)n, in the analysis of the microscopic mechanics responsible for the behavior of the excess proton in bulk water. We extend upon previous studies of the smaller, two-dimensional sheet-like structures to larger (n≥10) assemblies with three-dimensional cage morphologies which better mimic the bulk environment. Indeed, clusters in which a complete second solvation shell forms around a surface-embedded hydronium ion yield vibrational spectra where the signatures of the proton defect display strikingly similar positions and breadth to those observed in dilute acids. We investigate effects of the local structure and intermolecular interactions on the large red shifts observed in the proton vibrational signature upon cluster growth using various theoretical methods. We show that, in addition to sizeable anharmonic couplings, the position of the excess proton vibration can be traced to large increases in the electric field exerted on the embedded hydronium ion upon formation of the first and second solvation shells. MAJ acknowledges support from the U.S. Department of Energy under Grant No. DE-FG02- 06ER15800 as well as the facilities and staff of the Yale University Faculty of Arts and Sciences High Performance Computing Center, and by the National Science Foundation under Grant No. CNS 08-21132 that partially funded acquisition of the facilities. SMK and SSX acknowledge support from the US Department of Energy, Office of Science, Office of Basic Energy Sciences, Division of Chemical Sciences, Geosciences and Biosciences. Pacific Northwest National Laboratory (PNNL) is a multiprogram national laboratory operated for DOE by Battelle. This research used resources of the National Energy Research Scientific Computing Center, which is supported by the Office of Science of the U.S. Department of Energy under Contract No. DE-AC02-05CH11231.

Fournier, Joseph A.↗
DOE OSTI2026

Identifying neutron sources using recoil and time-of-flight spectroscopy

Identification of neutron sources is central to nuclear physics and its applications, from planetary science to nuclear security, yet direct source discrimination from measured neutron spectra remains fundamentally elusive. Here, we introduce a Bayesian protocol that directly infers source ensembles from measured neutron spectra by combining full-spectrum template matching with probabilistic evidence evaluation. Applying this protocol to recoil and time-of-flight spectroscopy, we recover single- and two-source configurations with strong statistical significance (beyond 4⁢𝜎) at event counts as low as ∼10 3 . These results demonstrate that neutron spectral signatures can be leveraged for robust source identification, opening a new observational window for both fundamental research and operationally driven applications.

neutron physics↗
DOE OSTI2016

Insights into riming and aggregation processes as revealed by aircraft, radar, and disdrometer observations for a 27 April 2011 widespread precipitation event: Insights into Riming and Aggregation

Our study presents aircraft spiral ascent and descent observations intercepting a transition to riming processes during widespread stratiform precipitation. The sequence is documented using collocated scanning and profiling radar, including longer-wavelength dual polarization measurements and shorter-wavelength Doppler spectra. Riming regions are supported using aircraft measurements recording elevated liquid water concentrations, spherical particle shapes, and saturation with respect to water. Profiling cloud radar observations indicate riming regions during the event as having increasing particle fall speeds, rapid time-height changes, and bimodalities in Doppler spectra. These particular riming signatures are coupled to scanning dual polarization radar observations of higher differential reflectivity (ZDR) aloft. Moreover, reduced melting layer enhancements and delayed radar bright-band signatures in the column are also observed during riming periods, most notably with the profiling radar observations. The bimodal cloud radar Doppler spectra captured near riming zones indicate two time-height spectral ice peaks, one rimed particle peak, and one peak associated with pristine ice needle generation and/or growth between -4°C and -7°C also sampled by aircraft probes. We observe this pristine needle population near the rimed particle region which gives a partial explanation for the enhanced ZDR. The riming signatures aloft and radar measurements within the melting level are weakly lag correlated (r~0.6) with smaller median drop sizes at the surface, as compared with later times when aggregation of larger particle sizes was believed dominant.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Sensitive Thermochromic Behavior of InSeI, a Highly Anisotropic and Tubular 1D van der Waals Crystal

Thermochromism, the change in color of a material with temperature, is the fundamental basis of optical thermometry. A longstanding challenge in realizing sensitive optical thermometers for widespread use is identifying materials with pronounced thermometric optical performance in the visible range. Herein, it is demonstrated that single crystals of indium selenium iodide (InSeI), a 1D van der Waals (vdW) solid consisting of weakly bound helical chains, exhibit considerable visible range thermochromism. A strong temperature-dependent optical band edge absorption shift ranging from 450 to 530 nm (2.8 to 2.3 eV) over a 380 K temperature range with an experimental (dE g /dT) max value extracted to be 1.26 × 10 −3 eV K −1 is shown. This value lies appreciably above most dense conventional semiconductors in the visible range and is comparable to soft lattice solids. The authors further seek to understand the origin of this unusually sensitive thermochromic behavior and find that it arises from strong electron–phonon interactions and anharmonic phonons that significantly broaden band edges and lower the E g with increasing temperature. The identification of structural signatures resulting in sensitive thermochromism in 1D vdW crystals opens avenues in discovering low-dimensional solids with strong temperature-dependent optical responses across broad spectral windows, dimensionalities, and size regimes.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Microstructural Evolution of Tantalum During Deformation and Subsequent Annealing

Microstructure-aware models are necessary to predict the behavior of material based on process knowledge or to extrapolate mechanical properties of materials to environmental conditions which are not easily reproduced in the laboratory, e.g., nuclear reactor environments. Elemental Ta provides a relatively simple BCC system in which to develop a microstructural understanding of deformation processes which can then be applied to more complicated BCC alloys. In situ neutron diffraction during compressive deformation and subsequent heat treatment have been used to monitor the evolution of microstructural features in Ta throughout simulated processing steps. Crystallographic texture and dislocation density are determined as a function of first plastic strain, then temperature. Lattice strains are determined and attributed to stresses at macroscopic, grain and dislocation length scales. The increase of the dislocation density through deformation and subsequent recovery during heat treatment is monitored through the changing diffraction line profile. Also, randomization of the texture is used as a signature of recrystallization. The recovery of dislocations through annihilation is not observed to depend on the initial dislocation density in the range studied here. In contrast, recrystallization is observed to depend strongly on the initially dislocation density.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Interfacial antiferromagnetic phase induced two-step magnetization reversal in PbZr 0.52 Ti 0.48 O3/La 0.67 Sr 0.33 MnO 3 superlattices

Artificial multiferroic heterostructures have recently attracted much interests due to the demonstrated magnetoelectric coupling (MEC) and unique functionalities, promising a tantalizing perspective of novel applications in next-generation electronic, memory, sensor, and energy harvesting technologies. Herein, we report a two-step magnetization reversal in PbZr 0.52 Ti 0.48 O 3 /La 0.67 Sr 0.33 MnO 3 (PZT/LSMO) superlattices, which originates from the strongly entangled strain-, ferroelectric (FE)-polarization-, and exchange-dependent effects. Specifically, the preferential occupancy of the in-plane Mn d x 2 -y 2 orbitals is triggered via the collective effects of the large tensile strain and FE polarization, giving rise to an interfacial antiferromagnetic (AFM) layer with strong AFM anisotropy. The strong spin exchange coupling between the AFM layer and the adjacent ferromagnetic (FM) layer facilitates the magnetic stratification of the FM layer, leading to two coercivities, i.e., two-step magnetization reversal. Meanwhile, a sizeable exchange bias (EB) field is induced. The emerged two-step magnetization reversal concomitant with the pronounced EB phenomenon should be a signature of an enhanced MEC in PZT/LSMO superlattices. Finally, our results will stimulate further interests in multiferroic superlattices in applications of multiferroic-based devices.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Conductance Spectroscopy of Exfoliated Thin Flakes of Nb x Bi 2 Se 3

We study unconventional superconductivity in exfoliated single crystals of a promising three-dimensional (3D) topological superconductor candidate, Nb-doped Bi 2 Se 3 through differential conductance spectroscopy and magneto-transport. The strong anisotropy of the critical field along the out-of-plane direction suggests that the thin exfoliated flakes are in the quasi-2D limit. Normal metal-superconductor (NS) contacts with either high or low transparencies made by depositing gold leads onto Nb-doped Bi 2 Se 3 flakes both show significant enhancement in zero bias conductance and coherence dips at the superconducting energy gap. Such behavior is inconsistent with conventional Blonder–Tinkham–Klapwijk theory. Instead, we discuss how our results are consistent with p-wave pairing symmetry, supporting the possibility of topological superconductivity in Nb-doped Bi 2 Se 3 . Lastly, we observe signatures of multiple superconducting energy gaps, which could originate from multiple Fermi surfaces reported earlier in bulk crystals.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Substrate Recognition by a Colistin Resistance Enzyme from Moraxella catarrhalis

Lipid A phosphoethanolamine (PEtN) transferases render bacteria resistant to the last resort antibiotic colistin. The recent discoveries of pathogenic bacteria harboring plasmid-borne PEtN transferase (mcr) genes have illustrated the serious potential for wide dissemination of these resistance elements. The origin of mcr-1 is traced to Moraxella species co-occupying environmental niches with Enterobacteriaceae. Here, we describe the crystal structure of the catalytic domain of the chromosomally encoded colistin resistance PEtN transferase, ICR Mc (for intrinsic colistin resistance) of Moraxella catarrhalis. The ICR Mc structure in complex with PEtN reveals key molecular details including specific residues involved in catalysis and PEtN binding. It also demonstrates that ICRMc catalytic domain dimerization is required for substrate binding. Our structure-guided phylogenetic analysis provides sequence signatures defining potentially colistin-active representatives in this enzyme family. Combined, these results advance the molecular and mechanistic understanding of PEtN transferases and illuminate their origins.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗