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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 1,711 records · Page 95
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Bayesian analysis of nucleon-nucleon scattering data in pionless effective field theory

We perform Bayesian model calibration of two-nucleon (NN) low-energy constants (LECs) appearing in an NN interaction based on pionless effective field theory (πEFT). The calibration is carried out for potentials constructed using naive dimensional analysis in NN relative momenta (p) up to next-to-leading order [NLO, O(p 2 )] and next-to-next-to-next-to-leading order [N3LO, O(p 4 )]. We consider two classes of pionless πEFT potential: one that acts in all partial waves and another that is dominated by s-wave physics. The two classes produce broadly similar results for calibrations to NN data up to E lab = 5 MeV. Our analysis accounts for the correlated uncertainties that arise from the truncation of the pionless πEFT. We simultaneously estimate both the πEFT LECs and the parameters that quantify the truncation error. This permits the first quantitative estimates of the pionless πEFT breakdown scale, Λ b : the 95% intervals are Λ b ∈[50.11,63.03] MeV at NLO and Λ b ∈[72.27,88.54] MeV at N3LO. Furthermore, invoking naive dimensional analysis for the NN potential, therefore, does not lead to consistent results across orders in pionless πEFT. This exemplifies the possible use of Bayesian tools to identify inconsistencies in a proposed EFT power counting.

Bayesian methods↗
DOE OSTI2018

Deep Potential Molecular Dynamics: A Scalable Model with the Accuracy of Quantum Mechanics

We introduce a scheme for molecular simulations, the deep potential molecular dynamics (DPMD) method, based on a many-body potential and interatomic forces generated by a carefully crafted deep neural network trained with ab initio data. The neural network model preserves all the natural symmetries in the problem. It is first-principles based in the sense that there are no ad hoc components aside from the network model. We show that the proposed scheme provides an efficient and accurate protocol in a variety of systems, including bulk materials and molecules. In all these cases, DPMD gives results that are essentially indistinguishable from the original data, at a cost that scales linearly with system size.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2023

A Practical On-line Framework for a Modified Energy Detector by Whitening Ambient PMU Data

A key application of Phasor Measurement Units (PMUs) is power system oscillation detection. An energy detector is a straightforward detection method, but setting thresholds requires extensive and time consuming baselining of data. This paper proposes a novel on-line method of whitening PMU measurements supporting a framework for detecting forced oscillations without requiring extensive baselining. An example of 24 hours of actual PMU data illustrates how a forced oscillation is very visible in the energy signal of the whitened data, while being hard to detect in the colored ambient noise. With this framework, the statistical theory for setting thresholds without baselining is much more straightforward and is the focus of future work.

Xu, Zikai↗
DOE OSTI2018

Modification of Structural, Chemical and Process Properties of Rare Metal Minerals under Treatment by High-Voltage Nanosecond Pulses

The authors have studied the mechanism of controlled modification of composition, structure, chemistry, physicochemical and process properties of columbite, tantalite, zircon and feldspar at the meso-, micro- and nanoscales after nonthermal treatment by high-voltage nanosecond electromagnetic pulses. The studies used methods: X-ray photoelectron spectroscopy, scanning electron and atomic force microscopy, potentiometric titration, electromigration chromatography, Kelvin probe force microscopy, microhardness metering and assessment of hydrophobic behavior and flotation activity of the minerals. It is found that changes in the chemical state of atoms on the surface of minerals are mainly connected with the sequential transformation of stages in the process of formation and modification of a functional cover of mineral surface, with variation in a ratio of different type hydroxyl groups on the surface of columbite, zircon and feldspar, which conditions contrast physicochemical properties of rare metal minerals and improves selectivity of their separation by flotation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2017

Structure of (2E)-Ethyl 2-((4-(cyanomethoxy)benzylidene)hydrazono)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate Studied by X-ray and DFT Calculations

The molecular structure of (2E)-ethyl 2-((4-(cyanomethoxy)benzylidene)hydrazono)-3,4-dimethyl-2,3-dihydrothiazole-5-carboxylate was determined using X-ray diffraction. The crystals are triclinic: sp. gr. P1; Z = 2; the unit cell parameters a = 8.4747(7) Å, b = 8.9382(8) Å, c = 11.9913(10) Å. The title compound has two C–H···O type intramolecular hydrogen bonds, one C–H···O and one C–H···N type intermolecular hydrogen bonds. For theoretical calculations, the molecular structure was investigated by DFT/B3LYP method with 6-311G(d) and 6-311G(d, p) basis sets. The calculated and experumental results (bond lenghts, bond angles, and dihedral angles) were compared with each other. Total energy, dipole moment, and mulliken atomic charges were calculated using two different basis sets.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

JGCRI/hydro-emulator

The hydrological emulator (HE) was built to mimic complex global hydrological models (GHMs) at a range of spatial scales. The HE was written in MATLAB and utilizes a genetic algorithm to calibrate the a, b, c, d, m parameters from the ABCD runoff algorithm to observed runoff from GHMs when forced by the same climate data. The HE employs two methods to choose from when processing basin data: lumped (by basin) and distributed (gridded). Both methods can be evaluated using the built-in Kling-Gupta efficiency as a measure of model performance when compared to the outputs from the more complex GHM. Testing shows that the HE is 7 orders of magnitude faster then the widely used Variable Infiltration Capacity (VIC) GHM.

Vernon, Chris↗
DOE OSTI2017

CMIP5 Scientific Gaps and Recommendations for CMIP6

The Coupled Model Intercomparison Project (CMIP) is an ongoing coordinated international activity of numerical experimentation of unprecedented scope and impact on climate science. Its most recent phase, the fifth phase (CMIP5), has created nearly 2 PB of output from dozens of experiments performed by dozens of comprehensive climate models available to the climate science research community. In so doing, it has greatly advanced climate science. While CMIP5 has given answers to important science questions, with the help of a community survey we identify and motivate three broad topics here that guided the scientific framework of the next phase of CMIP, that is, CMIP6: (1) How does the Earth system respond to changes in forcing? (2) What are the origins and consequences of systematic model biases? (3) How can we assess future climate changes given internal climate variability, predictability, and uncertainties in scenarios? CMIP has demonstrated the power of idealized experiments to better understand how the climate system works. We expect that these idealized approaches will continue to contribute to CMIP6. The quantification of radiative forcings and responses was poor, and thus it requires new methods and experiments to address this gap. There are a number of systematic model biases that appear in all phases of CMIP that remain a major climate modeling challenge. In conclusion, these biases need increased attention to better understand their origins and consequences through targeted experiments. Improving understanding of the mechanisms’ underlying internal climate variability for more skillful decadal climate predictions and long-term projections remains another challenge for CMIP6.

58 GEOSCIENCES↗
DOE OSTI2025

Exploiting Synergies Between Lensing and BAO Surveys for Improved Cosmological Constraints

Pinning down the nature of dark energy is one of the most pressing questions in modern physics and is one of the five key science drivers identified in the P5 report [P514]. Dark energy is thought to be either a cosmological constant with an equation of state w = P/ρ = −1 which remains constant at all times, a new type of fluid with an equation of state that varies with time (w ̸= constant), or dark energy might indicate a breakdown of Einstein’s Theory of General Relativity (GR). It is of critical importance to distinguish between these three scenarios. This can only be accomplished by ambitious and demanding measurements of both the expansion rate of the universe (to track the time evolution of dark energy) together with measurements of the rate at which cosmic structures, such as galaxies and clusters of galaxies, grow with time (the “growth rate”). Because of the challenging nature of such observations, and because no single probe simultaneously measures both expansion and growth, the Dark Energy Task Force [A+06] emphasized the importance of using multiple distinct methods to characterize dark energy.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Postdoctoral insights on mentoring excellence: a framework for best practices at Sandia National labs

The Sandia National Laboratories Strategic Plan FY24-FY27, updated for FY25, outlines Sandia’s two Big Labs-wide Goals, Accelerate Innovation and Lead in Modern Engineering. The goal of Accelerate Innovation is that “by FY27, Sandia will be a leader in scientific, engineering and operational innovation and an employer of choice for highly innovative and creative talent.” Sandia’s postdocs are leaders in innovation, well-versed in emerging techniques and cutting-edge methods, and capable of acting as a highly agile technical force across domains at the lab. As a federally funded research and development center (FFRDC), Sandia National Laboratories attracts top doctoral talent by offering a unique opportunity for postdoctoral researchers to develop at the crossroads of government, academia, and industry, working in multi-disciplinary teams and performing cutting-edge, mission-specific research that responds to immediate needs of national interest. However, this creates unique opportunities and demands of both postdoctoral appointees and the Sandia staff who act as their mentors, making mentorship key to attract talent. Since 2007 the Sandia Postdoctoral Development (SPD) Board, originally Postdoc To Professional (PD2P), a networking group at Sandia composed of a voluntary board of current postdocs and two staff liaisons, has advocated for postdoctoral development within Sandia National Labs. In this white paper, SPD board members and the Sandia Postdoctoral Development Office, organized in 2019, have come together to develop a comprehensive overview of the postdoctoral mentoring landscape at Sandia National Labs as we currently know it. By scouring various forms of data from efforts since 2018, we’ve compiled a community-derived perspective on what makes postdoctoral mentorship at Sandia unique. First, we analyze working sessions held between mentors and mentees to develop a comprehensive map of who is involved in postdoctoral mentorship at the lab and how the responsibilities are divided amongst mentors and mentees. We then combine multiple forms of data, including exit surveys, annual surveys, and community workshops, to identify the specific challenges that mentors and mentees encounter at the national lab. Finally, we use text mining and sentiment analysis to analyze mentoring award data to develop an idea of what postdocs are self-identifying as excellent mentorship within the lab. It is our goal that this white paper act as an ongoing resource to the postdoc and postdoc mentoring communities and provide a firm foundation for further conversations on the future of postdoctoral mentorship at Sandia National Labs.

99 GENERAL AND MISCELLANEOUS↗
NASA NTRS1972

Stability of rotating magnetic stars and planets as Jupiter and the origin of convective motion

Based on the method of the energy principle, the effect of the coriolis force on the stability of rotating hydromagnetic systems was examined and the condition for instability was derived. It is shown that, in rotating systems, the coriolis force inhibits the onset of convective motion and that, once the condition for instability is fulfilled, overstable states are produced with respect to this motion. Such states seem to affect the onset of turbulent convective motion.

Sakurai, K.↗
NASA NTRS1972

An invariant second-order closure model of the compressible turbulent boundary layer on a flat plate

The development of an invariant model designed expressly for the computation of shear flows is discussed. The model for incompressible layers seeks a second-order closure of the equations for the mean and fluctuating fields. The development of a method for computing the behavior of shear layers in compressible forces is described. The complexity of the analysis is restrained by limiting the consideration to a flat plate boundary layer where the mean pressure can be taken to be constant.

Donaldson, C. D.↗
NASA NTRS1971

Shuttle operations, maintenance, and safety.

Review of a systematic search for practical solutions in the areas of space shuttle cryogenics, flight operations, ground operations, and safety. The insulation of the main-propulsion hydrogen tanks for both booster and orbiter to prevent water condensation is considered, as well as the insulation of the orbiter's orbital cryogen tanks for ground storage. Two approaches to the feeding of cryogens are outlined - namely, an approach depending on a periodic axial force to settle propellants and refill the basket, and a method of continuous feed through a capillary network adjacent to the walls throughout the tank, the latter method being independent of vehicle thrust. The development of reliable cryogen components is discussed, and the results of studies of launch-abort problems, shuttle approach and landing techniques, and the tolerance of ?deconditioned' crew and passengers to shuttle reentry g-loads are cited.

Beddingfield, S. T.↗
NASA NTRS1972

Subcooled forced convection boiling of trichlorotrifluoroethane

Experimental heat-transfer data were obtained for the forced-convection boiling of trichlorotrifluoroethane (R-113 or Freon-113) in a vertical annular test annular test section. The 97 data points obtained covered heat transfer by forced convection, local boiling, and fully-developed boiling. Correlating methods were obtained which accurately predicted the heat flux as a function of wall superheat (boiling curve) over the range of parameters studied.

Dougall, R. S.↗
NASA NTRS1973

Space Shuttle response to atmospheric turbulence.

A fully reusable Space Shuttle configuration has been analyzed during ascent flight to determine its response to atmospheric turbulence. Propellant sloshing, gust penetration, and automatic control system effects were included. The steady-state aerodynamic method of Woodward was used to derive the generalized aerodynamic forces, using the standard quasi-steady assumption. Aerodynamic interference effects between adjacent wings and bodies were found to be significant, with symmetric responses generally higher than antisymmetric. The stability augmentation system tended to lower booster response while increasing orbiter response. Loads due to 9 m/s quasi-square-wave gusts were considerably higher than the 3 sigma random turbulence loads. The elastic portion of the response accounted for about 15% of the total wing load in the discrete gust analysis, while in the random case the elastic effect was small.

Huntington, R. G.↗
NASA NTRS1974

A survey of AFFDL parameter estimation efforts and future plans

An overview is presented of the applications of parameter estimation methods to the following areas of interest at the Air Force Flight Dynamics Laboratory (AFFDL): (1) conventional stability and control parameter estimation of rigid aircraft; (2) extension to elastic aircraft; (3) extension to stall/spin aerodynamics of rigid aircraft with a nonlinear model; (4) application to the pilot model identification; and (5) correlation of wind tunnel, drop model and flight test data. Only well-documented algorithms are used with modification to the model as required for the specific application. The genesis of each problem and other background information are discussed which enumerate the algorithms and explain how this information is used to improve existing operational aircraft characteristics as well as specify design criteria for future USAF aerospace vehicles.

Eckholdt, D. C.↗