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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 685 records · Page 38
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Hyperfine structure and isotope shifts of xenon measured for near-infrared transitions with Doppler-free saturated absorption spectroscopy

Hyperfine structure and isotope shifts of Xe were investigated with Doppler-free saturated absorption spectroscopy for all transitions in the 820-841 nm spectral interval. The Xe samples were commercial gases of natural isotopic abundances. The measurements were performed by employing a widely tunable narrow line Ti:sapphire laser. The hyperfine structures for 129 Xe and 131 Xe were well resolved. For the transitions with the wavelengths in vacuum near 820.860 nm and 841.150 nm also isotope shifts of the even isotopes were clearly observed. The modeling of the shapes of the observed absorption lines qualitatively reproduces experimental spectral profiles. The measured absorption peaks of the hyperfine structure and isotope shifts of Xe isotopes present characteristic spectral fingerprints for their identification. Eventually, quantitative spectral analysis will provide isotopic abundances of natural, as well as radioactive Xe gas samples.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Role of karyopherin nuclear transport receptors in nuclear transport by nuclear trafficking peptide

Nuclear trafficking peptide (NTP), a cell-penetrating peptide (CPP) composed of 10 amino acids (aa) (RIFIHFRIGC), has potent nuclear trafficking activity. Recently, we established a protein-based cell engineering system by using NTP, but it remained elusive how NTP functions as a CPP with nuclear orientation. In the present study, we identified importin subunit β1 (IMB1) and transportin 1 (TNPO1) as cellular proteins underlying the activity of NTP. These karyopherin nuclear transport receptors were identified as candidate molecules by liquid chromatography/mass spectrometry analysis, and downregulation of each protein by small interfering RNA significantly reduced NTP activity (P < 0.01). Biochemical analyses revealed that NTP bound directly to both molecules, and the forced expression of an IMB1 fragment (296–516 aa) or TNPO1 fragment (1–297 aa), which both contain binding sites to NTP, reduced nuclear NTP-green fluorescent protein (GFP) levels when it was added to cell culture medium. NTP is derived from viral protein R (Vpr) of human immunodeficiency virus-1, and Vpr enters the nucleus and exerts pleiotropic functions. Notably, Vpr bound directly to IMB1 and TNPO1, and its function was significantly impaired by the forced expression of the 296–516-aa fragment of IMB1 and 1–297-aa fragment of TNPO1. Interestingly, NTP completely blocked the physical association of Vpr with IMB1 and TNPO1. Although the nuclear localization mechanism of Vpr remains unknown, our data suggest that NTP functions as a novel nuclear localization signal of Vpr.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2022

All-Atom Simulations Uncover Structural and Dynamical Properties of STING Proteins in the Membrane System

Recent studies have shown that the stimulator of interferon gene (STING) protein plays a central role in the immune system by facilitating the production of type I interferons in cells. The STING signaling pathway is also a prominent activator of cancer-killing T cells that initiate a powerful adaptive immune response. Since biomolecular signaling pathways are complicated and not easily identified through traditional experiments, molecular dynamics (MD) has often been used to study structural and dynamical responses of biological pathways. In this work, we carried out MD simulations for full-length chicken and human STING (chSTING and hSTING) proteins. Specifically, we investigated ligand-bound closed (holo) and ligand-unbound open (apo) forms of STING in the membrane system by comparing their conformational and dynamical differences. Our research provides clues for understanding the mechanism of the STING signaling pathway by uncovering detailed insights for the examined systems: the residues from each chain in the binding pocket are strongly correlated to one another in the open STING structure compared with those in the closed STING structure. Ligand-bound closed STING displays ~174° rotation of the ligand-binding domain (LBD) relative to the open STING structure. The dynamical analysis of residue Cys148 located in the linker region of hSTING does not support the earlier hypothesis that Cys148 can form disulfide bonds between adjacent STING dimers. We also demonstrate that using the full-length proteins is critical, since the MD simulations of the LBD portion alone cannot properly describe the global conformational properties of STING.

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

ALD with Alternative Coreactants: Which Work, Which Do Not, and Why

In this paper, we present a combined experimental and theoretical study that systematically evaluates a series of alcohols (i.e., primary, secondary, and tertiary) as coreactants for trimethylaluminum (TMA)-based atomic layer deposition (ALD) of Al 2 O 3 . We employed in situ quartz crystal microbalance techniques and ex situ X-ray photoelectron spectroscopy to probe growth across a range of temperatures from T = 120 to 285 °C. Dispersion-inclusive hybrid density functional theory was employed to identify potential reaction pathways and compute corresponding Gibbs free-energy barriers and rate coefficients. Experimentally on an Al 2 O 3 surface, sustained thin-film growth, where the rate is constant over many cycles, was only observed with tertiary alcohols (tert-butanol and 2-methyl-2-butanol) at elevated temperatures (e.g., T = 285 °C); for tert-butanol specifically, sustained growth also occurred at T = 240 °C, with no sustained growth at or below T = 210 °C. Growth using primary and secondary alcohols decayed to a negligible value after only 2–3 cycles on an Al 2 O 3 surface at all tested temperatures. Intentional trace additions of H 2 O to anhydrous alcohols restored sustained growth but at reduced deposition rates relative to pure H 2 O. Theoretical analysis supports a bimolecular alkoxy β-H elimination mechanism as the primary reaction pathway: initiated by the formation of a bound alkoxy species, the subsequent β-H elimination step is rate-determining, with a barrier that systematically decreases as the degree of the alcohol coreactant is increased from primary to secondary to tertiary. Computed rate coefficients (k) also indicate a strong temperature dependence (with k increasing by ∼4–5 orders of magnitude from T = 120 to 285 °C) and are consistent with the experimental observation that only tertiary alcohols lead to steady thin-film growth at elevated temperatures. This integrated approach establishes why only certain alcohols can sustain Al 2 O 3 ALD and delivers a predictive framework for identifying effective alcohol coreactants.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Nanoscopic Titanium Dioxide Overlayers Improve the Durability of Porphyrin Molecular Electrocatalysts while Maintaining Molecular Structure and Redox Activity

Molecular catalysts, such as metalated porphyrins, are attractive cocatalysts for photocatalytic water splitting owing to their potential to simultaneously catalyze target reactions at their metal center, extend charge-separated-state lifetimes, and accumulate the requisite charge for product formation. However, porphyrin catalysts, like most molecular catalysts, are often limited by poor stability associated with demetalation, inactivation by undesired bonding (e.g., O2 coordination/redox/dimerization), and detachment from electrode supports or semiconducting photoabsorbers. In this study, nanoscopic titanium dioxide (TiO2) overlayers, deposited by atomic layer deposition (ALD), are demonstrated to encapsulate cobalt(III) meso-tetra(4-carboxyphenyl) porphyrin chloride (CoTCPP) molecular catalysts and thereby improve their adhesion to electrode surfaces over a wide range of electrode potentials spanning from -1.0 V vs RHE to +1.8 V vs RHE. Through analysis of Raman and ultraviolet-visible spectroscopy, it was confirmed that the metalloporphyrin structure was maintained when the surface-bound CoTCPP was encapsulated by 10 - 250 ALD cycles (~2 - 18 nm thick) of TiO2. Additional characterization of CoTCPP catalysts before and after electrochemical measurements reveals that up to 97% of the encapsulated CoTCPP remains tethered to the electrode surface after chronoamperometry tests under hydrogen evolution reaction (HER) conditions, compared to <36% for unencapsulated CoTCPP. This study also shows that encapsulated CoTCPP molecules remain partially redox active for overlayers up to 8 nm, which can also attenuate undesired redox mediator back reactions like ferricyanide reduction.

08 HYDROGEN↗
DOE OSTI2020

Inferring thermal ion temperature and residual kinetic energy from nuclear measurements in inertial confinement fusion implosions

In inertial con finement fusion implosion experiments, the presence of residual anisotropic fluid motion within the stagnating hot spot leads to signifi cant variations in ion-temperature measurements using neutron time- of-flight detectors along different lines of sight. The minimum ion-temperature measurement is typically used as representative of the thermal temperature. In the presence of isotropic flows, however, even the minimum DT neutron-inferred ion temperature can be well above the plasma thermal temperature. Using both DD and DT neutron-inferred ion-temperature measurements, we show that it is possible to determine the contribution of isotropic flows and infer the DT burn-averaged thermal ion temperature. The contribution of large isotropic flows on driving the ratio of DD to DT neutron-inferred ion temperatures well below unity and approaching the lower bound of 0.8 is demonstrated in multimode simulations. The minimum DD neutron- inferred ion temperature is determined from the velocity variance analysis, accounting for the presence of isotropic flows. Being close to the DT burn-averaged thermal ion temperature, the inferred DD minimum ion temperatures demonstrate a strong correlation with the experimental yields in the OMEGA implosion database. An analytical expression is also derived to explain the effect of mode ℓ = 1 ion-temperature measurement asymmetry on yield degradations caused by the anisotropic flows.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

A new approach to zip–lignin: 3,4–dihydroxybenzoate is compatible with lignification

Renewed interests in the development of bioenergy, biochemicals, and biomaterials have elicited new strategies for engineering the lignin of biomass feedstock plants. Furthermore, this study shows, for the first time, that 3,4-dihydroxybenzoate (DHB) is compatible with the radical coupling reactions that assemble polymeric lignin in plants. We introduced a bacterial 3-dehydroshikimate dehydratase into hybrid poplar (Populus alba × grandidentata) to divert carbon flux away from the shikimate pathway, which lies upstream of lignin biosynthesis. Transgenic poplar wood had up to 33% less lignin with p-hydroxyphenyl units comprising as much as 10% of the lignin. Mild alkaline hydrolysis of transgenic wood released fewer ester-linked p-hydroxybenzoate groups than control trees, and revealed the novel incorporation of cell-wall-bound DHB, as well as glycosides of 3,4-dihydroxybenzoic acid (DHBA). Two-dimensional nuclear magnetic resonance (2D-NMR) analysis uncovered DHBA-derived benzodioxane structures suggesting that DHB moieties were integrated into the lignin polymer backbone. In addition, up to 40% more glucose was released from transgenic wood following ionic liquid pretreatment and enzymatic hydrolysis. This work highlights the potential of diverting carbon flux from the shikimate pathway for lignin engineering and describes a new type of ‘zip-lignin’ derived from the incorporation of DHB into poplar lignin.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Neural Network-Based Electric Vehicle Range Prediction for Smart Charging Optimization

Range prediction is a standard feature in most modern road vehicles, allowing drivers to make informed decisions about when to refuel. Most vehicles make range predictions through data- or model-driven means, monitoring the average fuel consumption rate or using a tuned vehicle model to predict fuel consumption. The uncertainty of future driving conditions makes the range prediction problem challenging, particularly for less pervasive battery electric vehicles (BEV). Most contemporary machine learning-based methods attempt to forecast the battery SOC discharge profile to predict vehicle range. In this work, we propose a novel approach using two recurrent neural networks (RNNs) to predict the remaining range of BEVs and the minimum charge required to safely complete a trip. Each RNN has two outputs that can be used for statistical analysis to account for uncertainties; the first loss function leads to mean and variance estimation (MVE), while the second results in bounded interval estimation (BIE). These outputs of the proposed RNNs are then used to predict the probability of a vehicle completing a given trip without charging, or if charging is needed, the remaining range and minimum charging required to finish the trip with high probability. Training data was generated using a low-order physics model to estimate vehicle energy consumption from historical drive cycle data collected from medium-duty last-mile delivery vehicles. Here, the proposed method demonstrated high accuracy in the presence of day-to-day route variability, with the root-mean-square error (RMSE) below 6% for both RNN models.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2021

Reliability Prediction using FMEA, FTA, and Related Techniques [Slides]

Summary: We presented a reliability analysis framework. We made point estimates of reliability using reliability block diagrams, fault trees, success trees and estimates with uncertainty using expert elicitation, Monte Carlo simulation, Bayesian analysis. Expert elicitation of failure modes and probabilities is labor-intensive, but critical. Bayesian analysis updates information from expert elicitation with data from reliability and aging tests (aging/compatibility data are needed to estimate lower-bound reliabilities at end of life). Estimation by more than one method helps insure consistency and accuracy.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Considerations for Improving the Technoeconomic Viability of Heat Pipe Microreactors by Employing a Functional Containment Approach

The economic cost of a microreactor is being investigated by leveraging MARVEL cost information in conjunction with some simplified design and analysis activities to present a hypothetical, yet feasible, option for investigation. This bottom-up cost estimate for a hypothetical commercial microreactor will be used to provide guidance to the industry and research communities regarding where priorities should be set to improve the viability of broad microreactor deployment. To support the design and analysis activities required to present a feasible option, some understanding of maximum accidental radionuclide releases and consequences is needed to provide bounding estimates on containment or confinement systems for radionuclide retention. To estimate fission product barrier and retention performance, a gaussian plume dose and dispersion model is employed, with isotopic inventories being propagated between barriers assuming conservative fractional release rates. Demonstrably conservative meteorological assumptions are also assumed. Standard reference release rates are assumed where safety requirements could be easily and economically employed. Results are provided in units of total effective dose equivalent as a function of distance from the release (i.e., the reactor). Initial results indicate that the hypothetical microreactor will likely need to credit the fuel cladding and at least one other barrier, or combination of barriers, to ensure public health and safety as required during a postulated accident. This approach is referred to as “functional containment,” since no single barrier will be relied upon for satisfying regulatory requirements and fundamental safety functions for radionuclide retention. Finally, a set of barrier options are provided so that future economic analyses can select the most viable design path.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
NASA NTRS1980

A survey of load methodologies for shuttle orbiter payloads

Loads methods currently being used to design shuttle orbiter payloads are summarized. Methods used for the design of payloads launched by expendable launch vehicles are described in historical perspective. Experiences gained from expendable launch vehicle payloads are used to develop methodologies for the space shuttle orbiter payloads. The objectives for the development of a new methodology for the shuttle payloads are to reduce the cost and schedule for the payload load analysis by decoupling the payload analysis from the launch vehicle to the maximum extent possible. Methods are described for payload member load estimation or obtaining upper bounds for dynamic loads, as well as load prediction or calculating actual transient member load time histories.

Chen, J. C.↗
NASA NTRS1979

Bounds on the minimum number of data transfers in WFTA and FFT programs

Bounds on the minimum number of data transfers (i.e., loads, stores, copies) required by WFTA and FFT programs are presented. The analysis is applicable to those general-purpose computers with M general processor registers, where M is equal to or greater than 4 but much less than the transform length. It is shown that the 1008-point WFTA requires about 21 percent more data transfers than the 1024-point radix-4 FFT; on the other hand, the 120-point WFTA has about the same number of data transfers as the mixed radix (4 x 4 x 4 x 2) version of the 128-point FFT and 22 percent fewer than the radix-2 version. Finally, comparisons of the 'total' program execution times (multiplications, additions, and data transfers, but not indexing or permutations) are presented.

Nawab, H.↗
NASA NTRS1981

A survey of load methodologies for shuttle orbiter payloads

Loads methods currently being used to design planetary spacecraft to be launched on the shuttle orbiter are summarized. Experiences gained from expendable launch vehicle payloads are used to develop methodologies for the space shuttle orbiter payloads. The objectives for the development of a new methodology for the shuttle payloads are to reduce the cost and schedule for the payload load analysis by decoupling the payload analysis from the launch vehicle to the maximum extent possible. Methods are described for payload member load estimation or obtaining upper bounds for dynamic loads, as well as load prediction or calculating actual transient member load time histories.

Chen, J. C.↗
NASA NTRS1983

Linear retrieval and global measurements of wind speed from the Seasat SMMR

Retrievals of wind speed (WS) from Seasat Scanning Multichannel Microwave Radiometer (SMMR) were performed using a two-step statistical technique. Nine subsets of two to five SMMR channels were examined for wind speed retrieval. These subsets were derived by using a leaps and bound procedure based on the coefficient of determination selection criteria to a statistical data base of brightness temperatures and geophysical parameters. Analysis of Monsoon Experiment and ocean station PAPA data showed a strong correlation between sea surface temperature and water vapor. This relation was used in generating the statistical data base. Global maps of WS were produced for one and three month periods.

Pandey, P. C.↗
NASA NTRS1996

Soft-decision decoding techniques for linear block codes and their error performance analysis

The first paper presents a new minimum-weight trellis-based soft-decision iterative decoding algorithm for binary linear block codes. The second paper derives an upper bound on the probability of block error for multilevel concatenated codes (MLCC). The bound evaluates difference in performance for different decompositions of some codes. The third paper investigates the bit error probability code for maximum likelihood decoding of binary linear codes. The fourth and final paper included in this report is concerns itself with the construction of multilevel concatenated block modulation codes using a multilevel concatenation scheme for the frequency non-selective Rayleigh fading channel.

Lin, Shu↗
NASA NTRS2015

Hyperbolic Rendezvous at Mars: Risk Assessments and Mitigation Strategies

Given the current interest in the use of flyby trajectories for human Mars exploration, a key requirement is the capability to execute hyperbolic rendezvous. Hyperbolic rendezvous is used to transport crew from a Mars centered orbit, to a transiting Earth bound habitat that does a flyby. Representative cases are taken from future potential missions of this type, and a thorough sensitivity analysis of the hyperbolic rendezvous phase is performed. This includes early engine cutoff, missed burn times, and burn misalignment. A finite burn engine model is applied that assumes the hyperbolic rendezvous phase is done with at least two burns.

Jedrey, Ricky↗
NASA NTRSDate not supplied

Bounds on Robustness Limitations for Unstable Aircraft Using the Bode Sensitivity Integral

This paper investigates limitations in achievable robustness of statically unstable aircraft using the Bode sensitivity integral. A previous analysis of the X-29 aircraft is studied, and details about the available bandwidth and robustness limitations are re-examined using high-fidelity linear models of the aircraft and control system. Based on these results, a modified analysis was performed on the X-59 Low-Boom Flight Demonstrator to illustrate the same type of fundamental limitations and difficulties in meeting traditional specifications on gain and phase margins.

Bode sensitivity integral↗
DOE OSTI2025

Time correlations from steady-state expectation values

Recovering properties of correlation functions is typically challenging. On one hand, experimentally, it requires measurements with a temporal resolution finer than the system's dynamics. On the other hand, analytical or numerical analysis requires solving the system evolution. Here, we use recent results of quantum metrology with continuous measurements to derive general lower bounds on the relaxation and second-order correlation times that are both easy to calculate and measure. These bounds are based solely on steady-state expectation values and their derivatives with respect to a control parameter, and can be readily extended to the autocorrelation of arbitrary observables. We validate our method on two examples of critical quantum systems: a critical driven-dissipative resonator, where the bound matches analytical results for the dynamics, and the infinite-range Ising model, where only the steady state is solvable and thus the bound provides information beyond the reach of existing analytical approaches. Our results can be applied to experimentally characterize ultrafast systems, and to theoretically analyze many-body models with dynamics that are analytically or numerically hard.

Górecki, Wojciech [INFN, Pavia]↗