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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Proteomic profile changes associated with diminished expression of T-cell intracellular antigens reveal a hormesis response

T-cell intracellular antigen (TIA) proteins function as regulators of cell homeostasis by controlling global gene expression in response to dynamic regulatory changes and environmental stress. Here, we used two-dimensional differential in-gel electrophoresis (2D-DIGE) and mass spectrometry (MALDI-TOF/TOF) to identify protein changes associated with the down-regulated expression of TIA proteins. We detected 30 differentially expressed proteins (DEPs), 24 of which were identified, and some of these DEPs were validated by western blotting. In silico analysis showed that DEPs were associated with metabolic processes, detoxification and proteostasis. We mapped the DEPs to the available biological pathways and networks, which included the metabolism of small molecules such as sugars, lipids, amino acids, and nucleotides. Our findings support previous studies and suggest that low expression of TIA proteins might act as a potential adaptive switch to link gene expression reprogramming to a proliferative phenotype mediated by a hormesis phenomenon.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

A simple, validated approach for design of two-dimensional periodic particle patterns via acoustophoresis

Two-dimensional patterning of microparticles enables a wide range of functional materials, including patterned energy storage electrodes, flexible electronics, and sensor arrays. Particle patterning via acoustics offers an attractive path to generate a wide variety of 2D periodic patterns that introduce tailorable hierarchical porosity, useful for controlling surface area, transport distances, and other properties. This method is most effective with micron scale particles and patterns of tens to hundreds of microns. To enable systematic exploration of the broad design space for such patterns, this work develops a model of 2D and 3D assembly of particles at high loadings and validates the obtained patterns against both experiments and more computationally intensive modeling techniques. Using this simple model, connections are mapped between input parameters (like actuation conditions, particle volume fraction, material properties) and output geometrical features (like void size and shape, pattern connectivity, and surface area) so that they can be tailored to given applications. The utility of this simple model is illustrated by predicting and then experimentally demonstrating new hierarchical patterns resulting from multiple waves of different frequencies interacting. These multiscale patterns offer the potential to lift the limits on surface area, diffusion distances, and other features.

42 ENGINEERING↗
DOE OSTI2024

Mapping the proteogenomic landscape enables prediction of drug response in acute myeloid leukemia

Acute myeloid leukemia is a poor prognosis cancer commonly stratified by genetic aberrations, but these mutations are often heterogeneous and don’t always predict therapeutic response. Here we combine transcriptomic, proteomic, and phosphoproteomic datasets with ex vivo drug sensitivity data to help understand the underlying pathophysiology of AML beyond mutations. We measured the proteome and phosphoproteome of 210 patients and combined them with genomics and transcriptomic measurements to identify four proteogenomic subtypes that complemented existing genetic subtypes. We then built a predictor to classify samples into subtypes based on 147 molecular features and mapped them to a ‘landscape’. Each region of this landscape corresponded to specific drug response patterns. We then built a drug response prediction model to identify drugs that target distinct subtypes. We can ultimately use these models to predict drug treatment response and prioritize treatments. Finally, we extended our models and mapped a series of cell lines representing various stages of quizartinib resistance into our subtype landscape, predicting and experimentally validating a switch in sensitivity to venetoclax to panobinostat, two drugs with very different mechanisms than quizartinib. Our results show how multi-omics data together with drug sensitivity data can inform therapy stratification and drug combinations in AML.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Fast and interpretable classification of small X-ray diffraction datasets using data augmentation and deep neural networks

X-ray diffraction (XRD) data acquisition and analysis is among the most time-consuming steps in the development cycle of novel thin-film materials. We propose a machine-learning-enabled approach to predict crystallographic dimensionality and space group from a limited number of thin-film XRD patterns. We overcome the scarce-data problem intrinsic to novel materials development by coupling a supervised machine learning approach with a model-agnostic, physics-informed data augmentation strategy using simulated data from the Inorganic Crystal Structure Database (ICSD) and experimental data. As a test case, 115 thin-film metal-halides spanning 3 dimensionalities and 7 space-groups are synthesized and classified. After testing various algorithms, we develop and implement an all convolutional neural network, with cross-validated accuracies for dimensionality and space-group classification of 93% and 89%, respectively. We propose average class activation maps, computed from a global average pooling layer, to allow high model interpretability by human experimentalists, elucidating the root-causes of misclassification. Finally, we systematically evaluate the maximum XRD pattern step size (data acquisition rate) before loss of predictive accuracy occurs, and determine it to be 0.16° 2θ, which enables an XRD pattern to be obtained and classified in 5.5 minutes or less.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fundamental electronic structure and multiatomic bonding in 13 biocompatible high-entropy alloys

High-entropy alloys (HEAs) have attracted great attention due to their many unique properties and potential applications. The nature of interatomic interactions in this unique class of complex multicomponent alloys is not fully developed or understood. We report a theoretical modeling technique to enable in-depth analysis of their electronic structures and interatomic bonding, and predict HEA properties based on the use of the quantum mechanical metrics, the total bond order density (TBOD) and the partial bond order density (PBOD). Application to 13 biocompatible multicomponent HEAs yields many new and insightful results, including the inadequacy of using the valence electron count, quantification of large lattice distortion, validation of mechanical properties with experiment data, modeling porosity to reduce Young’s modulus. This work outlines a road map for the rational design of HEAs for biomedical applications.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Characterization of coplanar poled electro optic polymer films for Si-photonic devices with multiphoton microscopy

We imaged coplanar poled electro optic (EO) polymer films on transparent substrates with a multiple-photon microscope in reflection and correlated the second-harmonic light intensity with the results of Pockels coefficient (r{sub 33}) measurements. This allowed us to make quantitative measurements of poled polymer films on non-transparent substrates like silicon, which are not accessible with traditional Pockels coefficient measurement techniques. Phase modulators consisting of silicon waveguide devices with EO polymer claddings with a known Pockels coefficient (from V{sub π} measurements) were used to validate the correlation between the second-harmonic signal and r{sub 33}. This also allowed us to locally map the r{sub 33} coefficient in the poled area.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Fragment-based {sup 13}C nuclear magnetic resonance chemical shift predictions in molecular crystals: An alternative to planewave methods

We assess the quality of fragment-based ab initio isotropic {sup 13}C chemical shift predictions for a collection of 25 molecular crystals with eight different density functionals. We explore the relative performance of cluster, two-body fragment, combined cluster/fragment, and the planewave gauge-including projector augmented wave (GIPAW) models relative to experiment. When electrostatic embedding is employed to capture many-body polarization effects, the simple and computationally inexpensive two-body fragment model predicts both isotropic {sup 13}C chemical shifts and the chemical shielding tensors as well as both cluster models and the GIPAW approach. Unlike the GIPAW approach, hybrid density functionals can be used readily in a fragment model, and all four hybrid functionals tested here (PBE0, B3LYP, B3PW91, and B97-2) predict chemical shifts in noticeably better agreement with experiment than the four generalized gradient approximation (GGA) functionals considered (PBE, OPBE, BLYP, and BP86). A set of recommended linear regression parameters for mapping between calculated chemical shieldings and observed chemical shifts are provided based on these benchmark calculations. Statistical cross-validation procedures are used to demonstrate the robustness of these fits.

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

A single genomic region controls primocane fruiting in tetraploid blackberry

The fresh-market blackberry ( Rubus subgenus Rubus ) industry has expanded dramatically in the past 2 decades, driven in part by improved cultivars. Introgression of the primocane-fruiting (PF; annual flowering) trait into elite germplasm has enabled dual cropping in a single year, season extension, and cultivation in tropical and subtropical regions. Despite its economic performance, the genetic basis of PF is not well understood. It has been proposed that the PF trait is controlled by a major recessive locus, but its genomic location is unclear. Here, a genome-wide association study (GWAS) of 365 tetraploid blackberry genotypes identified a single genomic region on chromosome Ra03 (∼33 Mb) strongly associated with PF. Genetic linkage analysis in a biparental population confirmed that the same interval (32–35 Mb) was linked to the PF phenotype. Ten putative candidate genes were identified in this region. Allele mining using whole-genome resequencing of 17 genotypes highlighted 2 high-priority candidates: a CCCH-type zinc finger gene and an ubiquitin-specific protease gene. Use of an improved Rubus argutus “Hillquist” genome annotation (v1.2) enabled refined variant interpretation, including identification of regulatory 3′ UTR polymorphisms in the zinc finger homolog. Two diagnostic KASP markers (PF1 and PF2), designed from the most significant GWAS SNPs, predicted the PF phenotype with over 96% accuracy in a validation panel of 494 tetraploid blackberries from multiple breeding programs. Together, these results provide the first high-resolution mapping of the PF locus in blackberry, identify candidate genes for flowering regulation in Rubus , and deliver diagnostic markers that can be immediately deployed in breeding programs.

GWAS↗
DOE OSTI2026

Single-molecule infrared spectroscopy with scanning tunneling microscopy

Probing vibrations at the single-molecule level is essential for achieving bond-specific chemical control in realistic heterogeneous environments. Here, we introduce a new measurement scheme that integrates frequency-tunable infrared excitation with scanning tunneling microscopy to characterize vibration-mediated nuclear motions of single molecules. We first validated the technique by monitoring the infrared-induced rotation of the ethynyl radical and then applied it to mapping pyrrolidine’s conformational dynamics. The resulting broadband spectra captured fundamental vibrational modes together with rich overtone and combination bands inaccessible by conventional methods, which we confirmed with isotopic substitutions. Density functional theory calculations showed that delocalized modes coupled with pyrrolidine ring puckering drive the structural transition, revealing altered selection rules compared with traditional infrared spectroscopy. Here, this new experimental platform enables molecular vibrations and transformations to be probed with atomic precision.

Liang, Kangkai [University of California, San Dieg↗
DOE OSTI2025

UBW (USLCI-Brightway2) [SWR-25-169]

Life cycle inventory (LCI) data are critical for robust life cycle assessment (LCA), yet many widely used datasets such as the U.S. Life Cycle Inventory (USLCI) are not natively compatible with advanced modeling frameworks like Brightway2. This work presents an automated pipeline to transform USLCI data into a fully functional Brightway2 project. The workflow performs systematic data cleaning, resolves duplicate process and exchange identifiers, and applies allocation to multi-output processes. Technosphere and biosphere flows are harmonized through unit conversions and a bridge mapping to the biosphere3 database, with comprehensive logging of missing flows and cutoff issues. The resulting Brightway2 database is validated using matrix diagnostics to ensure consistency of the technosphere, and is benchmarked via life cycle impact assessment (LCIA) methods such as ReCiPe and IPCC GWP. Outputs include reproducible CSV exports of corrected processes, elementary flows, characterization factors, and LCIA results, alongside backup utilities for project sharing. This pipeline lowers barriers for integrating USLCI data into open-source LCA workflows, enabling reproducible, validated LCA inventories within the Brightway 2 framework.

Ghosh, Tapajyoti [National Laboratory of the Rocki↗
DOE OSTI2025

Design Approach for Circulating Fluidized Bed Riser Reactors such as NETL ASURE: A Review for Clustering Flow

Circulating fluidized bed riser reactors have been a commercial reality for some 80 to 90 years. Through all this time and hundreds if not thousands of research papers on the topic, no clear understanding exists on what is required to design and build a process reactor. There are numerous reasons for this, but the most significant reason is likely that riser reactors are chaotic in nature and unless this chaotic behavior is accounted for, there will be wide discrepancies in the predicted performance and in attempts to scale these reactors without significant trial and error. This work puts forth a new methodology to design riser reactors based upon the desired operating range using the chaotic microstructure behavior. This is accomplished through the use of a nondimensional regime map that was developed using chaotic parameters of memory and order/disorder along with higher moments of skewness and kurtosis. Validation of the approach is provided with circulating fluidized bed combustors and applied to the design of the NETL ASURE facility.

42 ENGINEERING↗
NASA NTRS2011

A Climate-Data Record (CDR) of the "Clear-Sky" Surface Temperature of the Greenland Ice Sheet

We have developed a climate-data record (CDR) of "clear-sky" ice-surface temperature (IST) of the Greenland Ice Sheet using Moderate-Resolution Imaging Spectroradiometer (MODIS) data. The CDR provides daily and monthly-mean IST from March 2000 through December 2010 on a polar stereographic projection at a resolution of 6.25 km. The CDR is amenable to extension into the future using Visible/Infrared Imager Radiometer Suite (VIIRS) data. Regional "clear-sky" surface temperature increases since the early 1980s in the Arctic, measured using Advanced Very High Resolution Radiometer (AVHRR) infrared data, range from 0.57 +/- 0.02 to 0.72 +/- 0.1 c per decade. Arctic warming has important implications for ice-sheet mass balance because much of the periphery of the Greenland Ice Sheet is already near O C during the melt season, and is thus vulnerable to rapid melting if temperatures continue to increase. An increase in melting of the ice sheet would accelerate sea-level rise, an issue affecting potentially billions of people worldwide. The IST CDR will provide a convenient data set for modelers and for climatologists to track changes of the surface temperature of the ice sheet as a whole and of the individual drainage basins on the ice sheet. The daily and monthly maps will provide information on surface melt as well as "clear-sky" temperature. The CDR will be further validated by comparing results with automatic-weather station data and with satellite-derived surface-temperature products.

Hall, Dorothy K.↗
NASA NTRS2017

Osiris-REx Spacecraft Current Status and Forward Plans

The NASA New Frontiers OSIRIS-REx spacecraft executed a flawless launch on September 8, 2016 to begin its 23-month journey to near-Earth asteroid (101955). The primary objective of the OSIRIS-REx mission is to collect and return to Earth a pristine sample of regolith from the asteroid surface. The sampling event will occur after a two-year period of remote sensing that will ensure a high probability of successful sampling of a region on the asteroid surface having high science value and within well-defined geological context. The OSIRIS-REx instrument payload includes three high-resolution cameras (OCAMS), a visible and near-infrared spectrometer (OVIRS), a thermal imaging spectrometer (OTES), an X-ray imaging spectrometer (REXIS), and a laser altimeter (OLA). As the spacecraft follows its nominal outbound-cruise trajectory, the propulsion, power, communications, and science instruments have undergone basic functional tests, with no major issues. Outbound cruise science investigations include a search for Earth Trojan asteroids as the spacecraft approaches the Sun-Earth L4 Lagrangian point in February 2017. Additional instrument checkouts and calibrations will be carried out during the Earth gravity assist maneuver in September 2017. During the Earth-moon flyby, visual and spectral images will be acquired to validate instrument command sequences planned for Bennu remote sensing. The asteroid Bennu remote sensing campaign will yield high resolution maps of the temperature and thermal inertia, distributions of major minerals and concentrations of organic matter across the asteroid surface. A high resolution 3d shape model including local surface slopes and a high-resolution gravity field will also be determined. Together, these data will be used to generate four separate maps that will be used to select the sampling site(s). The Safety map will identify hazardous and safe operational regions on the asteroid surface. The Deliverability map will quantify the accuracy with which the navigation team can deliver the spacecraft to and from specific sites on the asteroid surface. The Sampleability map quantifies the regolith properties, providing an estimation of how much material would be sampled at different points on the surface. The final Science Value map synthesizes the chemical, mineralogical, and geological, observations to identify the areas of the asteroid surface with the highest science value. Here, priority is given to organic, water-rich regions that have been minimally altered by surface processes. Asteroid surface samples will be acquired with a touch-and-go sample acquisition system (TAGSAM) that uses high purity pressurized N2 gas to mobilize regolith into a stainless steel canister. Although the mission requirement is to collect at least 60 g of material, tests of the TAGSAM routinely exceeded 300 g of simulant in micro-gravity tests. After acquiring the sample, the spacecraft will depart Bennu in 2021 to begin its return journey, with the sample return capsule landing at the Utah Test and Training Range on September 23, 2023. The OSIRIS-REx science team will carry out a series of detailed chemical, mineralogical, isotopic, and spectral studies that will be used to determine the origin and history of Bennu and to relate high spatial resolution sample studies to the global geological context from remote sensing. The outline of the sample analysis plan is described in a companion abstract.

Messenger, Scott↗
DOE OSTI2016

SU-F-T-84: Measurement and Monte-Carlo Simulation of Electron Phase Spaces Using a Wide Angle Magnetic Electron Spectrometer

Purpose: To measure and simulate well-defined electron spectra using a linear accelerator and a permanent-magnetic wide-angle spectrometer to test the performance of a novel reconstruction algorithm for retrieval of unknown electron-sources, in view of application to diagnostics of laser-driven particle acceleration. Methods: Six electron energies (6, 9, 12, 15, 18 and 21 MeV, 40cm × 40cm field-size) delivered by a Siemens Oncor linear accelerator were recorded using a permanent-magnetic wide-angle electron spectrometer (150mT) with a one dimensional slit (0.2mm × 5cm). Two dimensional maps representing beam-energy and entrance-position along the slit were measured using different scintillating screens, read by an online CMOS detector of high resolution (0.048mm × 0.048mm pixels) and large field of view (5cm × 10cm). Measured energy-slit position maps were compared to forward FLUKA simulations of electron transport through the spectrometer, starting from IAEA phase-spaces of the accelerator. The latter ones were validated against measured depth-dose and lateral profiles in water. Agreement of forward simulation and measurement was quantified in terms of position and shape of the signal distribution on the detector. Results: Measured depth-dose distributions and lateral profiles in the water phantom showed good agreement with forward simulations of IAEA phase-spaces, thus supporting usage of this simulation source in the study. Measured energy-slit position maps and those obtained by forward Monte-Carlo simulations showed satisfactory agreement in shape and position. Conclusion: Well-defined electron beams of known energy and shape will provide an ideal scenario to study the performance of a novel reconstruction algorithm using measured and simulated signal. Future work will increase the stability and convergence of the reconstruction-algorithm for unknown electron sources, towards final application to the electrons which drive the interaction of TW-class laser pulses with nanometer thin target foils to accelerate protons and ions to multi-MeV kinetic energy. Cluster of Excellence of the German Research Foundation (DFG) “Munich-Centre for Advanced Photonics”.

07 ISOTOPE AND RADIATION SOURCES↗
DOE OSTI2015

Parallel transmit excitation at 1.5 T based on the minimization of a driving function for device heating

Purpose: To provide a rapid method to reduce the radiofrequency (RF) E-field coupling and consequent heating in long conductors in an interventional MRI (iMRI) setup. Methods: A driving function for device heating (W) was defined as the integration of the E-field along the direction of the wire and calculated through a quasistatic approximation. Based on this function, the phases of four independently controlled transmit channels were dynamically changed in a 1.5 T MRI scanner. During the different excitation configurations, the RF induced heating in a nitinol wire immersed in a saline phantom was measured by fiber-optic temperature sensing. Additionally, a minimization of W as a function of phase and amplitude values of the different channels and constrained by the homogeneity of the RF excitation field (B{sub 1}) over a region of interest was proposed and its results tested on the benchtop. To analyze the validity of the proposed method, using a model of the array and phantom setup tested in the scanner, RF fields and SAR maps were calculated through finite-difference time-domain (FDTD) simulations. In addition to phantom experiments, RF induced heating of an active guidewire inserted in a swine was also evaluated. Results: In the phantom experiment, heating at the tip of the device was reduced by 92% when replacing the body coil by an optimized parallel transmit excitation with same nominal flip angle. In the benchtop, up to 90% heating reduction was measured when implementing the constrained minimization algorithm with the additional degree of freedom given by independent amplitude control. The computation of the optimum phase and amplitude values was executed in just 12 s using a standard CPU. The results of the FDTD simulations showed similar trend of the local SAR at the tip of the wire and measured temperature as well as to a quadratic function of W, confirming the validity of the quasistatic approach for the presented problem at 64 MHz. Imaging and heating reduction of the guidewire were successfully performed in vivo with the proposed hardware and phase control. Conclusions: Phantom and in vivo data demonstrated that additional degrees of freedom in a parallel transmission system can be used to control RF induced heating in long conductors. A novel constrained optimization approach to reduce device heating was also presented that can be run in just few seconds and therefore could be added to an iMRI protocol to improve RF safety.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

Important powertrain dynamics for developing models for control of connected and automated electrified vehicles

Connected and Automated Vehicles (CAV) technology presents significant opportunities for energy saving in the transportation sector. CAV technology forecasts vehicle and powertrain power needs under various terrain, ambient, and traffic conditions. Integration of the CAV technology in Hybrid Electric Vehicles (HEVs) provides the opportunity for optimal vehicle operation. Indeed, Hybrid Electric Vehicle powertrains present high degrees of flexibility and possibility for choosing optimum powertrain modes based on the predicted traction power needs. In modeling complex CAV powertrain dynamics, the modeler needs to consider short-time scale powertrain dynamics, such as engine transients, and hysteresis of mode-switching for a multi-mode HEV. Therefore, the powertrain dynamics essential for developing powertrain controllers for a class of connected HEVs is presented. To this end, control-oriented powertrain dynamic models for a test vehicle consisting of full electric, hybrid, and conventional engine operating modes are developed. The resulting powertrain model can forecast vehicle traction torque and energy consumption for the specified prediction horizon of the test vehicle. The model considers different operating modes and associated energy penalty terms for mode switching. Thus, the vehicle controller can determine the optimum powertrain mode, torque, and speed for forecasted vehicle operation via utilizing connectivity data. The powertrain model is validated against the experimental data and shows prediction error of less than 5% for predicting vehicle energy consumption. The model is used to create energy penalty maps that can be used for CAV control, for example fuel penalty map for engine torque changes (10–40 Nm) at each engine speed. The results of model-based optimization show optimum switching delays ranging from 0.4 to 1.4 s to avoid hysteresis in mode switching.

Engineering↗
DOE OSTI2012

Can residuals of the solar system foreground explain low multipole anomalies of the CMB?

The low multipole anomalies of the Cosmic Microwave Background has received much attention during the last few years. It is still not ascertained whether these anomalies are indeed primordial or the result of systematics or foregrounds. An example of a foreground, which could generate some non-Gaussian and statistically anisotropic features at low multipole range, is the very symmetric Kuiper Belt in the outer solar system. In this paper, expanding upon the methods presented in [1], we investigate the contributions from the Kuiper Belt objects (KBO) to the WMAP ILC 7 map, whereby we can minimize the contrast in power between even and odd multipoles in the CMB, discussed in [2,3]. We submit our KBO de-correlated CMB signal to several tests, to analyze its validity, and find that incorporation of the KBO emission can decrease the quadrupole-octupole alignment and parity asymmetry problems, provided that the KBO signals has a non-cosmological dipole modulation, associated with the statistical anisotropy of the ILC 7 map. Additionally, we show that the amplitude of the dipole modulation, within a 2σ interval, is in agreement with the corresponding amplitudes, discussed in [4].

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2000

Photogrammetrically Measured Distortions of Composite Structure Microwave Reflectors at Approximately 90 K

The Microwave Anisotropy Probe (MAP) Observatory, scheduled for a fall 2000 launch, is designed to measure temperature fluctuations (anisotropy) and produce a high sensitivity and high spatial resolution (better than 0.3 deg.) map of the cosmic microwave background (CMB) radiation over the entire sky between 22 and 90 GHz. MAP utilizes back-to-back composite Gregorian telescopes supported on a composite truss structure to focus the microwave signals into 10 differential microwave receivers. Proper position and shape of the telescope reflectors at the operating temperature of approximately 90 K is a critical element to ensuring mission success. We describe the methods and analysis used to validate the in-flight position and shape predictions for the reflectors based on photogrammetric (PG) metrology data taken under vacuum with the reflectors at approximately 90 K. Contour maps showing reflector distortion analytical extrapolations were generated. The resulting reflector distortion data are shown to be crucial to the analytical assessment of the MAP instrument's microwave system in-flight performance.

Mule, Peter↗