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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 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
NASA NTRS1999

Impact of Aircraft Emissions on Reactive Nitrogen over the North Atlantic Flight Corridor Region

The impact of aircraft emissions on reactive nitrogen in the upper troposphere (UT) and lowermost stratosphere (LS) was estimated using the NO(y)-O3 correlation obtained during the SASS Ozone and NO(x) Experiment (SONEX) carried out over the US continent and North Atlantic Flight Corridor (NAFC) region in October and November 1997. To evaluate the large scale impact, we made a reference NO(y)-O3 relationship in air masses, upon which aircraft emissions were considered to have little impact. For this purpose, the integrated input of NO(x) from aircraft into an air mass along a 10-d back trajectory (DELTA-NO(y)) was calculated based on the ANCAT/EC2 emission inventory. The excess NO(y) (dNO(y)) was calculated from the observed NO(y) and the reference NO(y)-O3 relationship. As a result, a weak positive correlation was found between the dNO(y) and DELTA-NO(y), and dNO(y) and NO(x)/NO(y) values, while no positive correlation between the dNO(y) and CO values was found, suggesting that dNO(y) values can be used as a measure of the NO(x) input from aircraft emissions. The excess NO(y) values calculated from another NO(y)-O3 reference relationship made using in-situ CN data also agreed with these dNO(y) values, within the uncertainties. At the NAFC region (45 N - 60 N), the median value of dNO(y) in the troposphere increased with altitude above 9 km and reached 70 pptv (20% of NO(y)) at 11 km. The excess NO(x) was estimated to be about half of the dNO(y) values, corresponding to 30% of the observed NO(x) level. Higher dNO(y) values were generally found in air masses where O3 = 75 - 125 ppbv, suggesting a more pronounced effect around the tropopause. The median value of dNO(y) in the stratosphere at the NAFC region at 8.5 - 11.5 km was about 120 pptv. The higher dNO(y) values in the LS were probably due to the accumulated effect of aircraft emissions, given the long residence time of affected air in the LS. Similar dNO(y) values were also obtained in air masses sampled over the US continent.

Koike, M.↗
NASA NTRS1994

Providing hydrogen maser timing stability to orbiting VLBI radio telescope observations by post-measurement compensation of linked frequency standard imperfections

Orbiting VLBI (OVLBI) astronomical observations are based upon measurements acquired simultaneously from ground-based and earth-orbiting radio telescopes. By the mid-1990s, two orbiting VLBI observatories, Russia's Radioastron and Japan's VSOP, will augment the worldwide VLBI network, providing baselines to earth radio telescopes as large as 80,000 km. The challenge for OVLBI is to effectuate space to ground radio telescope data cross-correlation (the observation) to a level of integrity currently achieved between ground radio telescopes. VLBI radio telescopes require ultrastable frequency and timing references in order that long term observations may be made without serious cross-correlation loss due to frequency source drift and phase noise. For this reason, such instruments make use of hydrogen maser frequency standards. Unfortunately, space-qualified hydrogen maser oscillators are currently not available for use on OVLBI satellites. Thus, the necessary long-term stability needed by the orbiting radio telescope may only be obtained by microwave uplinking a ground-based hydrogen maser derived frequency to the satellite. Although the idea of uplinking the frequency standard intrinsically seems simple, there are many 'contaminations' which degrade both the long and short term stability of the transmitted reference. Factors which corrupt frequency and timing accuracy include additive radio and electronic circuit thermal noise, slow or systematic phase migration due to changes of electronic circuit temporal operating conditions (especially temperature), ionosphere and troposphere induced scintillations, residual Doppler-incited components, and microwave signal multipath propagation. What is important, though, is to realize that ultimate stability does not have to be achieved in real-time. Instead, information needed to produce a high degree of coherence in the subsequent cross-correlation operation may be derived from a two-way coherent radio link, recorded and later introduced as compensations adjunct to the VLBI correlation process. Accordingly, this paper examines the technique for stable frequency/time transfer within the OVLBI system, together with a critique of the types of link degradation components which must be compensated, and the figures of merit known as coherence factors.

Springett, James C.↗
NASA NTRS2014

On the Relationship Between Global Land-Ocean Temperature and Various Descriptors of Solar-Geomagnetic Activity and Climate

Examined are sunspot cycle- (SC-) length averages of the annual January-December values of the Global Land-Ocean Temperature Index ( ) in relation to SC-length averages of annual values of various descriptors of solar-geomagnetic activity and climate, incorporating lags of 0-5 yr. For the overall interval SC12-SC23, the is inferred to correlate best against the parameter incorporating lag = 5 yr, where the parameter refers to the resultant aa value having removed that portion of the annual aa average value due to the yearly variation of sunspot number (SSN). The inferred correlation between the and is statistically important at confidence level cl > 99.9%, having a coefficient of linear correlation r = 0.865 and standard error of estimate se = 0.149 degC. Excluding the most recent cycles SC22 and SC23, the inferred correlation is stronger, having r = 0.969 and se = 0.048 degC. With respect to the overall trend in the , which has been upwards towards warmer temperatures since SC12 (1878-1888), solar-geomagnetic activity parameters are now trending downwards (since SC19). For SC20-SC23, in contrast, comparison of the against SC-length averages of the annual value of the Mauna Loa carbon dioxide ( ) index is found to be highly statistically important (cl >> 99.9%), having r = 0.9994 and se = 0.012 degC for lag = 2 yr. On the basis of the inferred preferential linear correlation between the and , the current ongoing SC24 is inferred to have warmer than was seen in SC23 (i.e., >0.526 degC), probably in excess of 0.68 degC (relative to the 1951-1980 base period).

Wilson, Robert M.↗
NASA NTRS1990

Comparison of the quadratic configuration interaction and coupled cluster approaches to electron correlation including the effect of triple excitations

The recently proposed quadratic configuration interaction (QCI) method is compared with the more rigorous coupled cluster (CC) approach for a variety of chemical systems. Some of these systems are well represented by a single-determinant reference function and others are not. The finite order singles and doubles correlation energy, the perturbational triples correlation energy, and a recently devised diagnostic for estimating the importance of multireference effects are considered. The spectroscopic constants of CuH, the equilibrium structure of cis-(NO)2 and the binding energies of Be3, Be4, Mg3, and Mg4 were calculated using both approaches. The diagnostic for estimating multireference character clearly demonstrates that the QCI method becomes less satisfactory than the CC approach as non-dynamical correlation becomes more important, in agreement with a perturbational analysis of the two methods and the numerical estimates of the triple excitation energies they yield. The results for CuH show that the differences between the two methods become more apparent as the chemical systems under investigation becomes more multireference in nature and the QCI results consequently become less reliable. Nonetheless, when the system of interest is dominated by a single reference determinant both QCI and CC give very similar results.

Taylor, Peter R.↗
NASA NTRS1986

Electrooptic phase modulation gas correlation spectroscopy - A laboratory demonstration

A new gas-correlation spectroscopy technique is described which uses electrooptic phase modulation (EOPM) of atmospheric emission spectra together with a reference cell to selectively detect radiatively active gases. Laboratory results demonstrate that the EOPM gas-correlation technique is a sensitive approach to species abundance measurements, and support the feasibility of an instrument for measurement of winds in the stratosphere and mesosphere using an EOPM. Through the measurement of wind-induced Doppler shifts in the spectra of atmospheric species, this instrument offers a means of monitoring the wind field in the 20-100 km altitude range from a satellite.

Rider, D. M.↗
DOE OSTI2026

Custom-trained Machine-learning Interatomic Potentials: ZnCl2 Aqueous Solution

This dataset was generated using an iterative active-learning strategy implemented in the ArcaNN software package (https://github.com/arcann-chem/arcann_training) to train machine-learning interatomic potentials for aqueous ZnCl2 solutions. Each active-learning cycle consisted of three stages: training, exploration, and labeling. The initial training set combined configurations generated in this work from enhanced-sampling ab initio molecular dynamics simulations with configurations from a previously reported neural-network-potential study of aqueous ZnCl2. The enhanced-sampling ab initio molecular dynamics simulations involved Zn–Cl separation and the chloride coordination number around Zn²? as collective variables. These configurations served as the seed dataset. Subsequent active-learning cycles expanded the training set by identifying and labeling configurations that were poorly represented by the current models, thereby improving coverage of ion-association states and changes in local coordination and charge-state environments relevant to the solution free-energy landscape. For all selected configurations, single-point calculations of the total energies and atomic forces were performed within density functional theory using the CP2K Quickstep module. Reference calculations employed the revPBE-D3 and r2SCAN exchange-correlation functionals. Motivated by recent work on aqueous Zn²?, the main revPBE calculations omitted D3 dispersion contributions involving Zn²?, while retaining the D3 correction for water and chloride. For comparison, fully dispersion-corrected revPBE-D3 reference calculations were also performed, with D3 applied to all species, including Zn²?. Valence electrons were treated explicitly, while core electrons were represented using norm-conserving Goedecker–Teter–Hutter pseudopotentials. The wave functions were expanded using the mixed Gaussian-and-plane-wave scheme with TZV2P-MOLOPT basis sets for all elements and a 600 Ry auxiliary plane-wave cutoff for the electron density. Self-consistent-field convergence was accelerated using the orbital-transformation and Direct Inversion in the Iterative Subspace algorithms, with a convergence threshold of 10?6. All single-point calculations were performed in periodic orthorhombic cells. The CELL_REF keyword in CP2K was used to define a fixed reference cell with a box length of 25 Å. This treatment ensured a consistent reference for configurations extracted from NpT trajectories with fluctuating cell dimensions. The resulting DFT energies and atomic forces constitute the ground-truth labels used to train the MLIPs. The resulting MLIP was trained for aqueous ZnCl2 solutions spanning concentrations from 0 to 30 molal and a broad pH range, from strongly acidic to strongly basic conditions. Representative examples of configurations included in the MLIP training dataset are provided below. These include 1) Representative configurations from the dataset labeled at the revPBE-D3 level, with D3 dispersion interactions involving Zn2+ excluded (revPBE-wo-D3). 2) Representative configurations from the dataset labeled at the fully dispersion-corrected revPBE-D3 level, with D3 interactions applied to all species, including Zn2+ (revPBE-D3). 3) Representative configurations from the dataset labeled at the r2SCAN level of theory (r2SCAN).

Dinpajooh, Mohammadhasan [Pacific Northwest Nation↗
NASA NTRS1984

Analysis of subpixel registration

The area of subpixel accuracy in image registration and edge detection was studied. Two main directions of research were pursued, edge detection and matching based on the digital geometry of edges, and random field models for probablistic analysis of registration error. In the edge detection approach, error bounds and error probabilities were computed using theoretical models. Algorithms were developed and tests on simulated imagery. The methods appear promising for high accuracy edge position estimation and registration, though further refinement of the procedures is required. Using random field models, a statistical measure of the quality of the cross correlation peak as an estimate of the offset between a sensed and a reference image was developed. Simulations were performed to determine the validity of this estimte with real imagery and to study the results of interpolating digital correlation functions to estimate the translation offset to subpixel accuracy.

Berenstein, C. A.↗
NASA NTRS1989

Real-time optical holographic tracking of multiple objects

A coherent optical correlation technique for real-time simultaneous tracking of several different objects making independent movements is described, and experimental results are presented. An evaluation of this system compared with digital computing systems is made. The real-time processing capability is obtained through the use of a liquid crystal television spatial light modulator and a dichromated gelatin multifocus hololens. A coded reference beam is utilized in the separation of the output correlation plane associated with each input target so that independent tracking can be achieved.

Chao, Tien-Hsin↗
DOE OSTI2025

Across the Scales of the Nucleus: Understanding Short Range Correlations from Medium Modification to Probe Independence

The atomic nucleus presents an intricate system due to the non-linear forces described by Quantum Chromodynamics (QCD) that govern its structure. The range of scales involved is remarkable; the most massive nuclei weigh approximately five orders of magnitude more than the quarks that compose them. The nucleus can be analyzed at various levels, from quarks to hadrons to the nucleus as a whole. Short-Range Correlations (SRCs) within the nucleus play a significant role that spans these diverse scales. At the most fundamental level, SRCs influence the interaction between nucleons. The nucleon-nucleon (NN) interaction, arising from QCD, is crucial in determining nuclear properties. SRCs serve as valuable probes for measuring this NN interaction, as the nucleons within SRCs become effectively decoupled from the rest of the nucleus. Multiple experimental techniques, including electron scattering, have been employed to investigate the NN interaction through SRCs. However, our first project demonstrates that inclusive measurements alone are inadequate to constrain this interaction fully. Moving to the scale of the nucleus, SRCs contribute to the high-momentum tail of the nuclear spectral function. While the low-momentum region is characterized by nucleons exhibiting bulk properties, nucleons begin to pair into SRCs at higher momenta. Our research aims to bridge the understanding between the mean-field portion of the nucleus and its high-momentum SRC components. Additionally, SRCs affect the quark structure of protons, as evidenced by the EMC effect, which indicates that quarks behave differently when protons are embedded within a nucleus—an effect referred to as medium modification. This thesis explores the correlation between SRCs and medium modification across various experimental setups. Finally, we seek to establish an interpretation of the nuclear ground state. Accomplishing this requires demonstrating that our SRC observables are independent of the probe’s scale and scheme. The concluding project of this thesis illustrates how we utilize triple coincidence quasi-elastic scattering across a range of (Q2) values to develop a model-dependent framework for understanding SRC distributions within the nucleus’s ground-state wavefunction.

Denniston, A. W. Denniston [University of Tel Aviv↗
NASA NTRS1978

Recent developments and applications with gas cell correlation spectrometer

Gaspec, a gas filter correlation spectrometer, is described. Gaspec is a dual-gas three-channel instrument using two detectors which receive amplitude-shared source signals modulated at the frequency of the chopper. Several units for operation around the 3-5 micron and the 8-15 micron region have been constructed, and gases such as CO2, CO, CH4, HCl, NO, and hydrazines can be detected. Advantages of Gaspec are considered with reference to improvements developed for the basic Cospec (gas cell correlation spectrometer) instrument.

Barringer, A. R.↗
NASA NTRS2011

Correlation of Water Frost Porosity in Laminar Flow over Flat Surfaces

A dimensionless correlation has been proposed for water frost porosity expressing its dependence on frost surface temperature and Reynolds number for laminar forced flow over a flat surface. The correlation is presented in terms of a dimensionless frost surface temperature scaled with the cold plate temperature, and the freezing temperature. The flow Reynolds number is scaled with reference to the critical Reynolds number for laminar-turbulent transition. The proposed correlation agrees satisfactorily with the simultaneous measurements of frost density and frost surface temperature covering a range of plate temperature, ambient air velocity, humidity, and temperature. It is revealed that the frost porosity depends primarily on the frost surface and the plate temperatures and the flow Reynolds number, and is only weakly dependent on the relative humidity. The results also point out the general character of frost porosity displaying a decrease with an increase in flow Reynolds number.

Kandula, Max↗
DOE OSTI2024

Hidden transport phenomena in an ultraclean correlated metal

Advancements in materials synthesis have been key to unveil the quantum nature of electronic properties in solids by providing experimental reference points for a correct theoretical description. Here, we report hidden transport phenomena emerging in the ultraclean limit of the archetypical correlated electron system SrVO 3 . The low temperature, low magnetic field transport was found to be dominated by anisotropic scattering, whereas, at high temperature, we find a yet undiscovered phase that exhibits clear deviations from the expected Landau Fermi liquid, which is reminiscent of strange-metal physics in materials on the verge of a Mott transition. Further, the high sample purity enabled accessing the high magnetic field transport regime at low temperature, which revealed an anomalously high Hall coefficient. Taken with the strong anisotropic scattering, this presents a more complex picture of SrVO 3 that deviates from a simple Landau Fermi liquid. These hidden transport anomalies observed in the ultraclean limit prompt a theoretical reexamination of this canonical correlated electron system beyond the Landau Fermi liquid paradigm, and more generally serves as an experimental basis to refine theoretical methods to capture such nontrivial experimental consequences emerging in correlated electron systems.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Damage progression and failure of SiC/SiC composite tubes under hard-contact radial expansion

The response of silicon carbide (SiC) fiber-reinforced SiC matrix (SiC/SiC) composite cladding to mechanical interaction with fissile fuel is a knowledge gap that must be overcome to design and assess SiC-based cladding systems for advanced nuclear applications. This study developed the relevant mechanical testing capability and identified the failure behavior and the critical microstructural features and processing defects. Sections of SiC composite tube were subjected to a modified expansion-due-to-compression (EDC) test in an X-ray computed tomography microscope: a polyurethane plug pressed surrogate Al 2 O 3 into the inner walls of the SiC/SiC composite tubes to achieve hard contact. A pure EDC test with just a polyurethane plug was also performed as a reference. Through the use of displacement fields, digital volume correlation revealed inhomogeneous deformation fields in the tubes, even for pure EDC, which was related to the inherent defects in the structure. Deep learning–aided segmentation and systematic data analysis revealed that the presence of inhomogeneous deformation applied by the hard contact was exaggerated by the presence of inner surface imperfections left behind from the matrix densification process. In conclusion, the findings provide insights into the applications, highlighting the necessity for improvements in inner surface roughness and the incorporation of localized contacts in pellet–cladding mechanical interaction computational models.

Composites↗
DOE OSTI2025

The approximate second order coupled-cluster method based on a size-consistent Brillouin–Wigner partitioning

We present a variant of the approximate second order coupled-cluster method (CC2) with a two-parameter size-consistent Brillouin–Wigner (BW-s) partitioning instead of a Møller–Plesset (MP) partitioning for the unperturbed Hamiltonian, which we refer to as BWs-CC2. The computational complexity of this model scales identically to CC2 with molecular size. Conventional CC2 and its regularized BWs-CC2 variants, as well as conventional MP2 and two of its regularized BW-s2 variants, were assessed on a 535 element database spanning thermochemistry, non-covalent interactions, barrier heights, and isomerization energies. To ensure a well-defined model chemistry, the assessment was performed using internally stable spin-polarized Hartree–Fock (HF) orbitals in the finite aug-cc-pVQZ basis without counterpoise corrections. As a result of using stable orbitals, contrary to conventional wisdom, we find that CC2 substantially outperforms MP2 on molecules with significantly spin contaminated reference orbitals without a significant increase in error on systems with a spin-pure reference, showing the value of its single substitutions. While no single choice of regularization parameters can be optimal for all datasets, we find that BWs-CC2 generally outperforms both CC2 and BW-s2 with a single judicious parameter choice. Additional tests on dipole moments and bond lengths of diatomics provide further support for the utility of this choice. Furthermore, the main outliers and poorest performing cases are associated with large amounts of spin-contamination in the HF reference, which is indicative of systems with either strong correlation or extensive artificial symmetry breaking. Overall, these findings argue that the perception of the quality of the CC2 ground state should be reevaluated and that it can be further improved upon by the soundly based BWs-CC2 variant with the recommended parameter choice.

Correlation energy↗
DOE OSTI2026

HostSub_GP: Precise Galaxy Background Subtraction in Transient Long-slit Spectroscopy with Gaussian Processes

We present a novel host galaxy subtraction technique in long-slit spectroscopy for extragalactic transients. Unlike classic methods which generally estimate the background using simple interpolation of local galaxy flux in the 2D spectrum, our approach leverages multi-band archival images of the host galaxies to model the background emission from the galaxy in the 2D spectrum. Such imaging encodes the wavelength-dependent galaxy profile along the slit, and is readily accessible through wide-field imaging surveys. We construct a smooth prior for the 2D galaxy profile with a Gaussian process (GP) based on these reference images, and use another GP to model the correlated deviations from the prior in the observed spectrum. This enables accurate inference of the galaxy flux blended with the transient. On synthetic long-slit data of a spiral galaxy extracted from a Multi Unit Spectroscopic Explorer hyper-spectral cube, the GP method remains robust as long as the host galaxy is spatially resolved and consistently outperforms classic methods. We apply the method to archival Keck spectra of two real transients, SN 2019eix and AT 2019qiz, to further demonstrate how the method uniquely recovers weak spectral features amid strong galaxy contamination, enabling refined constraints on the properties of both transients. We have released the software implementation, HostSub_GP, a scalable toolkit that leverages JAX, with an MIT license.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Introducing a Markov chain-based time calibration procedure for multi-channel particle detectors: application to the SuperFGD and ToF detectors of the T2K experiment

Inter-channel mis-synchronisation can be a limiting factor to the time resolution of high performance timing detectors with multiple readout channels and independent electronics units. In these systems, time calibration methods employed must be able to efficiently correct for minimal mis-synchronisation between channels and achieve the best detector performance. We present an iterative time calibration method based on Markov Chains, suitable for detector systems with multiple readout channels. Starting from correlated hit pairs alone, and without requiring an external reference time measurement, the method solves for fixed per-channel offsets, with precision limited only by the intrinsic single-channel resolution. A mathematical proof that the method is able to find the correct time offsets to be assigned to each detector channel in order to achieve inter-channel synchronisation is given, and it is shown that the number of iterations to reach convergence within the desired precision is controllable with a single parameter. Numerical studies are used to confirm unbiased recovery of true offsets. Finally, the application of the calibration method to the Super Fine-Grained Detector (SuperFGD) and the Time of Flight (TOF) detector at the upgraded T2K near detector (ND280) shows good improvement in overall timing resolution, demonstrating the effectiveness in a real-world scenario and scalability.

calibration and fitting methods↗
NASA NTRS1989

Joint-transform correlator systems using deformable-mirror spatial light modulators

Two joint-transform correlator systems based on deformable-mirror-device (DMD) spatial light modulators and CCD video cameras are described. The system designs provide for real-time correlation between video-formatted input scenes and stored reference images. The DMD light modulators are used exclusively for inputting data in the optical stages of these systems, and the CCD cameras are used to provide the critical square-law detection required in joint-transform achitectures. Experimental verification of the functionality of these DMD/CCD joint-transform systems is also presented.

Florence, James M.↗
NASA NTRS1989

Experimental transition and boundary-layer stability analysis for a slotted swept laminar flow control airfoil

A swept, supercritical laminar flow control (LFC) airfoil designated NASA SCLFC(1)-0513F was tested at subsonic and transonic speeds in the NASA Langley eight-foot Transonic Pressure Tunnel. This paper examines Tollmien-Schlichting and crossflow disturbance amplification for this airfoil using the linear stability method. The design methodology using linear stability analysis is evaluated and the results of the incompressible and compressible methods are compared. Experimental data on the swept, supercritical LFC airfoil and reference wind tunnel and flight results are used to correlate and evaluate the N-factor method for transition prediction over a speed range M(infinity) from zero to one.

Harvey, William D.↗