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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Method-independent cusps for atomic orbitals in quantum Monte Carlo

Here, we present an approach for augmenting Gaussian atomic orbitals with correct nuclear cusps. Like the atomic orbital basis set itself and unlike previous cusp corrections, this approach is independent of the many-body method used to prepare wave functions for quantum Monte Carlo. Once the basis set and molecular geometry are specified, the cusp-corrected atomic orbitals are uniquely specified, regardless of which density functionals, quantum chemistry methods, or subsequent variational Monte Carlo optimizations are employed. We analyze the statistical improvement offered by these cusps in a number of molecules and find them to offer similar advantages as molecular-orbital-based approaches while remaining independent of the choice of many-body method.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Quantum Hamiltonian algorithms for maximum independent sets

ABSTRACT We compare two quantum Hamiltonian algorithms that address the maximum independent set problem: one based on the emergent non-Abelian gauge matrix in adiabatic evolution of an energetically isolated manifold of states; the other based on designed application of single-qubit operations. We demonstrate that they are mathematically equivalent in the sense that one is the other’s interaction picture. Despite their mathematical equivalence, our numerical simulations show significant differences between them in performance, which is explained analytically. Intriguingly, this equivalence unveils that the PXP model, recently prominent in quantum dynamics research, can be viewed as quantum diffusion over the median graph of all independent sets governed by the non-Abelian gauge matrix.

Science & Technology - Other Topics↗
DOE OSTI2026

Trajectory-independent speed limits for controlled open quantum systems

Existing quantum speed limits for controlled open quantum systems depend on the specified trajectory. For example, lower bounds on quantum annealing times in the presence of dissipation depend explicitly on the chosen annealing schedule. Recently, schedule-independent speed limits have been derived for annealing in the closed quantum system setting [L. P. García-Pintos et al ., SciPost Phys. 18 , 159 (2025)]. In this work, we generalize these results to open quantum systems, deriving schedule-independent lower bounds for quantum annealing times in systems described by a Lindblad master equation. We analyze the interplay between coherent control and dissipation in single- and two-qubit examples, demonstrating that the derived lower bounds capture key scaling behavior with respect to the strength of the dissipator. Finally, we apply the bound to thermal state preparation and show that the bound matches the expected asymptotic behavior for an Ising model in the high-temperature limit.

open quantum systems & decoherence↗
DOE OSTI2024

Model-independent predictions for decays of hidden-heavy hadrons into pairs of heavy hadrons

Hidden-heavy hadrons can decay into pairs of heavy hadrons through transitions from confining Born-Oppenheimer potentials to hadron-pair potentials with the same Born-Oppenheimer quantum numbers. The transitions are also constrained by conservation of angular momentum and parity. From these constraints, we derive model-independent selection rules for decays of hidden-heavy hadrons into pairs of heavy hadrons. The coupling potentials are expressed as sums of products of Born-Oppenheimer transition amplitudes and angular-momentum coefficients. If there is a single dominant Born-Oppenheimer transition amplitude, it factors out of the coupling potentials between hidden-heavy hadrons in the same Born-Oppenheimer multiplet and pairs of heavy hadrons in specific heavy-quark-spin-symmetry doublets. If furthermore the kinetic energies of the heavy hadrons are much larger than their spin splittings, we obtain analytic expressions for the relative partial decay rates in terms of Wigner 6 j and 9 j symbols. We consider in detail the decays of quarkonia and quarkonium hybrids into the lightest heavy-meson pairs. For quarkonia, our model-independent selection rules and relative partial decay rates agree with previous results from quark-pair-creation models in simple cases and give stronger results in other cases. For quarkonium hybrids, we find disagreement even in simple cases. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Model-independent description of B → D π ℓ ν decays

We introduce a new parametrization of B → D π ℓ ν form factors using a partial-wave expansion and derive bounds on the series coefficients using analyticity and unitarity. This is the first generalization of the model-independent formalism developed by Boyd, Grinstein, and Lebed for B → D ℓ ν to semileptonic decays with multihadron final states, and enables data-driven form-factor determinations with robust, systematically improvable uncertainties. Using this formalism, we extract the form-factor parameters for B → D 2 * ( → D π ) ℓ ν decays in a model-independent way from fits of data from the Belle Experiment. We find that the semileptonic data are compatible with the presence of two poles in the D π S-wave channel, which is the scenario preferred by nonleptonic decays and unitarized chiral perturbation theory. Published by the American Physical Society 2024

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2025

Model-independent measurement of the matter-radiation equality scale in DESI 2024

The peak of the matter power spectrum, known as the turnover (TO) scale, is determined by the horizon size at the time of matter-radiation equality. This scale can serve as a standard ruler, independent of other features in the matter power spectrum, such as baryon acoustic oscillations (BAO). Here, in this work, we present the first detection of the turnover in the galaxy autopower spectrum, utilizing the distribution of quasars and luminous red galaxies (LRG) measured by the Dark Energy Spectroscopic Instrument (DESI) during its first year of survey operations in a model-independent manner. To avoid confirmation bias, we first analyze the data using data blinding methods designed for the DESI baryon acoustic oscillation, redshift space distortion and scale-dependent bias signals. We measure the angle-averaged dilation distance 𝐷 V ⁡(𝑧 = 1.651) = (38.1 ± 2.5)⁢𝑟 H from the quasars and 𝐷 V ⁡(𝑧 = 0.733) = (21.8 ± 1.0)⁢𝑟 H from the LRG sample in units of the horizon 𝑟 H at the matter-radiation-equality epoch. Combining these two constraints and assuming a flat Λ⁢CDM model with three standard neutrino species, we can translate this into a constraint of Ω m ⁢ℎ 2 = 0.13⁢9$^{+0.036}_{−0.046}$. We can break the Ω m −𝐻 0 degeneracy with low-redshift distance measurements from type-Ia supernova (SN) data from Pantheon+, we obtain a sound-horizon free estimate of the Hubble-Lemaître parameter of 𝐻 0 = 65.2$^{+4.9}_{−6.2}$ km/s/Mpc, consistent with sound-horizon dependent DESI measurements. On the other hand, combining the DESI BAO and TO, we find a truly DESI-only measurement of 𝐻 0 = 74.0$^{+7.2}_{−3.5}$ km/s/Mpc, in line with DESI-only full-shape results where the sound-horizon scale is marginalized out. This discrepancy in 𝐻 0 can be reconciled in a 𝑤 0 ⁢𝑤 𝑎 ⁢ CDM cosmology, where the combination of DESI BAO and TO data yields 𝐻 0 = 66.5 ± 7.2 km/s/Mpc.

cosmological parameters↗
DOE OSTI2025

Structural analysis of extracellular ATP-independent chaperones of streptococcal species and protein substrate interactions

ABSTRACT During infection, bacterial pathogens rely on secreted virulence factors to manipulate the host cell. However, in gram-positive bacteria, the molecular mechanisms underlying the folding and activity of these virulence factors after membrane translocation are not clear. Here, we solved the protein structures of two secreted parvulin and two secreted cyclophilin-like peptidyl-prolyl isomerase (PPIase) ATP-independent chaperones found in gram-positive streptococcal species. The extracellular parvulin-type PPIase, PrsA inStreptococcus pneumoniaeandStreptococcus mutansmaintain dimeric crystal structures reminiscent of folding catalysts that consist of two domains, a PPIase and foldase domain. Structural comparison of the two cyclophilin-like extracellular chaperones fromS. pneumoniaeandStreptococcus pyogeneswith other cyclophilins demonstrates that this group of cyclophilin-like chaperones has novel structural appendages formed by 9- and 24-residue insertions. Furthermore, we demonstrate that deletion ofprsAandslrAgenes impairs the secretion of the cholesterol-dependent pore-forming toxin, pneumolysin inS. pneumoniae. Using protein pull-down and biophysical assays, we demonstrate a direct interaction between PrsA and SlrA with Ply. Then, we developed chaperone-assisted folding assays that show that theS. pneumoniaePrsA and SlrA extracellular chaperones accelerate pneumolysin folding. In addition, we demonstrate that SlrA and, for the first time,S. pyogenes PpiA exhibit PPIase activity and can bind the immunosuppressive drug, cyclosporine A. Altogether, these findings suggest a mechanistic role for streptococcal PPIase chaperones in the activity and folding of secreted virulence factors such as pneumolysin. IMPORTANCE Streptococcal species are a leading cause of lower respiratory infections that annually affect millions of people worldwide. During infection, streptococcal species secrete a medley of virulence factors that allow the bacteria to colonize and translocate to deeper tissues. In many gram-positive bacteria, virulence factors are secreted from the cytosol across the bacterial membrane in an unfolded state. The bacterial membrane-cell wall interface is exposed to the potentially harsh extracellular environment, making it difficult for native virulence factors to fold before being released into the host. ATP-independent PPIase-type chaperones, PrsA and SlrA, are thought to facilitate folding and stabilization of several unfolded proteins to promote the colonization and spread of streptococci. Here, we present crystal structures of the molecular chaperones of PrsA and SlrA homologs from streptococcal species. We provide evidence that theStreptococcus pyogenesSlrA homolog, PpiA, has PPIase activity and binds to cyclosporine A. In addition, we show thatStreptococcus pneumoniaePrsA and SlrA directly interact and fold the cholesterol-dependent pore-forming toxin and critical virulence determinant, pneumolysin.

Microbiology↗
DOE OSTI2024

Traceable Device-Independent Randomness as a Service

We implement a traceable protocol for device-independent random number generation. Our demonstration involves transparently integrating a device-independent RNG into a public randomness beacon, and feeding 7434 random number pulses into the beacon over 39 days.

Kavuri, Gautam A.↗
NASA NTRS1971

A note on independent variables for restricted three-body problems.

In studies of the elliptic restricted three-body problem, the true anomaly of the motion of the primaries is often used as the independent variable. The equations of motion then show invariancy in form from the circular case. It is of interest whether other independent variables exist, such that the invariant form of the equations is maintained. It is found that true anomaly is the only such variable.

Heppenheimer, T. A.↗
NASA NTRS1972

Evidence for spatially independent outbursts in compact radio sources.

Observations of the 7.8-GHz flux-density variations of 3C 120 suggest that the apparent superrelativistic expansion of this source and others can be explained as being due to independent spatially separated radio outbursts. If confirmed, this result would establish that the energy generated in quasi-stellar sources is released in many separate independent outbursts rather than by repeated eruptions in a single supermassive object.

Dent, W. A.↗
NASA NTRS1973

Data compression preserving statistical independence

The purpose of this study was to determine the optimum points of evaluation of data compressed by means of polynomial smoothing. It is shown that a set y of m statistically independent observations Y(t sub 1), Y(t sub 2), ... Y(t sub m) of a quantity X(t), which can be described by a (n-1)th degree polynomial in time, may be represented by a set Z of n statistically independent compressed observations Z (tau sub 1), Z (tau sub 2),...Z (tau sub n), such that The compressed set Z has the same information content as the observed set Y. the times tau sub 1, tau sub 2,.. tau sub n are the zeros of an nth degree polynomial P sub n, to whose definition and properties the bulk of this report is devoted. The polynomials P sub n are defined as functions of the observation times t sub 1, t sub 2,.. t sub n, and it is interesting to note that if the observation times are continuously distributed the polynomials P sub n degenerate to legendre polynomials. The proposed data compression scheme is a little more complex than those usually employed, but has the advantage of preserving all the information content of the original observations.

Morduch, G. E.↗
NASA NTRS1974

Parametric analysis of an imaging radar for use as an imaging radar for use as an independent landing monitor

The capabilities are analyzed of a real aperture, forward-looking imaging radar for use as an independent landing monitor, which will provide the pilot with an independent means of assessing the progress of an automatic landing during Category 3 operations. The analysis shows that adequate ground resolution and signal-to-noise ratio can be obtained to image a runway with grassy surroundings using a radar operating at 35 GHz in good weather and in most fog but that performance is severely degraded in moderate to heavy rain and wet snow. Weather effects on a 10 GHz imager are not serious, with the possible exception of very heavy rain, but the azimuthal resolution at 10 GHz is inadequate with antennas up to 2 m long.

Bundick, W. T.↗
NASA NTRS1976

A demonstration of an independent-station radio interferometry system with 4-cm precision on a 16-km base line

Radio interferometry promises eventually to measure directly, with accuracies of a few centimeters, both whole earth motions and relative crustal motions with respect to an 'inertial' reference frame. Interferometry measurements of arbitrarily long base lines require, however, the development of new techniques for independent-station observation. In connection with the development of such techniques, a series of short base line demonstration experiments has been conducted between two antennas. The experiments were related to a program involving the design of independent-station instrumentation capable of making three-dimensional earth-fixed base line measurements with an accuracy of a few centimeters. Attention is given to the instrumentation used in the experiments, aspects of data analysis, and the experimental results.

Thomas, J. B.↗
NASA NTRS1977

Renal electrolyte circadian rhythms - Independence from feeding and activity patterns

Experiments were conducted on six unanesthetized chair-acclimatized adult male squirrel monkeys (Saimiri sciureus) weighing 600-900 g to determine whether internal synchronization is the result of simple passive dependence of renal excretory rhythms on endogenous rhythms of those variable that influence electrolyte excretion such as dietary intake and muscular activity. Independence of the urinary rhythms from diurnal variations in feeding, drinking, and activity was secured by depriving the animals of food, water, and training them to perform a two-hourly schedule of feeding, drinking, and activity throughout day and night. Results indicate that the internal synchronization which is normally observed between the behavioral and urinary rhythms cannot be explained by any direct dependence of renal function on behavioral patterns. The most probable mechanism for circadian internal synchronization is that the various behavioral and renal rhythms are controlled by potentially independent separate oscillators which are normally kept in synchrony with one another.

Moore-Ede, M. C.↗
NASA NTRS1978

Rigidity-independent coronal propagation and escape of solar protons and alpha particles

In a study of rigidity-independent coronal propagation processes, data on the azimuthal variation of the solar proton/alpha-particle ratio were obtained. Sources for the data included a statistical analysis of events observed by Heos-2, a comparative study of events recorded by both Heos-2 and Pioneer-10 and -11, and a multiday survey of individual events observed by Heos-2 and Pioneer-10. The statistical investigation of Heos-2 events reveals an increase of the lower value of the proton/alpha-particle ratio away from the well-connected region. The data from one or two spacecraft connected at different heliolongitudes indicates no azimuthal dependence of the proton/alpha-particle ratio. All the data appear to suggest rigidity-independent propagation or escape processes.

Perron, C.↗
NASA NTRS1980

An independent Cepheid distance scale: Current status

An independent distance scale for Cepheid variables is discussed. The apparent magnitude and the visual surface brightness, inferred from an appropriate color index, are used to determine the angular diameter variation of the Cepheid. When combined with the linear displacement curve obtained from the integrated radial velocity curve, the distance and linear radius are determined. The attractiveness of the method is its complete independence of all other stellar distance scales, even though a number of practical difficulties currently exist in implementing the technique.

Barnes, T. G., III↗
NASA NTRS1985

A review of path-independent integrals in elastic-plastic fracture mechanics, task 4

The path independent (P-I) integrals in elastic plastic fracture mechanics which have been proposed in recent years to overcome the limitations imposed on the J integral are reviewed. The P-I integrals considered herein are the J integral by Rice, the thermoelastic P-I integrals by Wilson and Yu and by Gurtin, the J* integral by Blackburn, the J sub theta integral by Ainsworth et al., the J integral by Kishimoto et al., and the delta T sub p and delta T* sub p integrals by Atluri et al. The theoretical foundation of these P-I integrals is examined with emphasis on whether or not path independence is maintained in the presence of nonproportional loading and unloading in the plastic regime, thermal gradients, and material inhomogeneities. The similarities, differences, salient features, and limitations of these P-I integrals are discussed. Comments are also made with regard to the physical meaning, the possibility of experimental measurement, and computational aspects.

Kim, K. S.↗