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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 343 records · Page 19
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Statistical and systematic uncertainties in extracting the source properties of neutron star-black hole binaries with gravitational waves

Gravitational waves emitted by neutron star black hole mergers encode key properties of neutron stars - such as their size, maximum mass and spins - and black holes. However, the presence of matter and the high mass ratio makes generating long and accurate waveforms from these systems hard to do with numerical relativity, and not much is known about systematic uncertainties due to waveform modeling. In this work, we simulate gravitational waves from neutron star black hole mergers by hybridizing numerical relativity waveforms produced with the SpEC code with a recent numerical relativity surrogate NRHybSur3dq8Tidal. These signals are analyzed using a range of available waveform families, and statistical and systematic errors are reported. We find that at a network signal-to-noise ratio (SNR) of 30, statistical uncertainties are usually larger than systematic offsets, while at an SNR of 70 the two become comparable. The individual black hole and neutron star masses, as well as the mass ratios, are typically measured very precisely, though not always accurately at high SNR. At a SNR of 30 the neutron star tidal deformability can only be bound from above, while for louder sources it can be measured and constrained away from zero. All neutron stars in our simulations are non-spinning, but in no case we can constrain the neutron star spin to be smaller than ~0.4 (90% credible interval). Waveform families whose late inspiral has been tuned specifically for neutron star black hole signals typically yield the most accurate characterization of the source parameters. Their measurements are in tension with those obtained using waveform families tuned against binary neutron stars, even for mass ratios that could be relevant for both binary neutron stars and neutron star black holes mergers.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Complete quantification of parametric uncertainties in ( d , p ) transfer reactions

Deuteron-induced transfer reactions are a popular probe in nuclear structure and nuclear astro physics studies. The interpretation of these transfer measurements relies on reaction theory that takes as input effective interactions between the nucleons and the target nucleus. Previous work quantified the uncertainty associated with the optical potentials between the nucleons and the target. In this study, we extend that work by also including the parameters of the mean field associated with the overlap function of the final bound state, thus obtaining the full parametric uncertainty on transfer observables. We use Bayesian Markov Chain Monte Carlo simulations to obtain parameter posterior distributions. We use elastic-scattering cross sections to constrain the optical potential parameters and use the asymptotic normalization coefficient of the final state to constrain the bound state interaction. We then propagate these posteriors to the transfer angular distributions and obtain confidence intervals for this observable. We study (d,p) reactions on 14 C, 16 O, and 48 Ca at energies in the range $E$ $d$ = 7 - 24 MeV. Our results show a strong reduction in uncertainty by using the asymptotic normalization coefficient as a constraint, particularly for those reactions most sensitive to ambiguities in the mean field. For those reactions, the importance of constraining the bound state interaction is equal to that of constraining the optical potentials. Furthermore, the case of 14 C is an outlier because the cross section is less sensitive to the nuclear interior. When minimal constraints are used on the parameters of the nucleon-target interaction, the 1σ uncertainties on the differential cross sections are large (~ 500-100%). However, if elastic-scattering data and the asymptotic normalization coefficient are used in the analysis, with an error of 10% (5%), this uncertainty reduces to ~ 30% (~ 15%).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Capturing CO 2 in Quadrupolar Binding Pockets: Broadband Microwave Spectroscopy of Pyrimidine-(CO 2 ) n , n = 1,2

Pyrimidine has two in-plane CH(δ+)/N̈(δ–)/CH(δ+) binding sites that are complementary to the (δ–/2δ+/δ–) quadrupole moment of CO 2 . For this study, we recorded broadband microwave spectra over the 7.5–17.5 GHz range for pyrimidine-(CO 2 ) n with n = 1 and 2 formed in a supersonic expansion. Based on fits of the rotational transitions, including nuclear hyperfine splitting due to the two 14 N nuclei, we have assigned 313 hyperfine components across 105 rotational transitions for the n = 1 complex and 208 hyperfine components across 105 rotational transitions for the n = 2 complex. The pyrimidine-CO 2 complex is planar, with CO 2 occupying one of the quadrupolar binding sites, forming a structure in which the CO 2 is stabilized in the plane by interactions with the C–H hydrogens adjacent to the nitrogen atom. This structure is closely analogous to that of the pyridine-CO 2 complex studied previously by (Doran, J. L. J. Mol. Struct. 2012, 1019, 191–195). The fit to the n = 2 cluster gives rotational constants consistent with a planar cluster of C 2v symmetry in which the second CO 2 molecule binds in the second quadrupolar binding pocket on the opposite side of the ring. The calculated total binding energy in pyrimidine-CO 2 is –13.7 kJ mol –1 , including corrections for basis set superposition error and zero-point energy, at the CCSD(T)/ 6-311++G(3df,2p) level, while that in pyrimidine-(CO 2 ) 2 is almost exactly double that size, indicating little interaction between the two CO 2 molecules in the two binding sites. The enthalpy, entropy, and free energy of binding are also calculated at 300 K within the harmonic oscillator/rigid-rotor model. This model is shown to lack quantitative accuracy when it is applied to the formation of weakly bound complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Optimal Experimental Design for Inverse Problems in the Presence of Observation Correlations

Optimal experimental design (OED) is the general formalism of sensor placement and decisions on the data collection strategy for engineered or natural experiments. This problem is prevalent in many critical fields such as battery design, numerical weather prediction, geosciences, environmental and urban studies. State-of-the-art computational methods for experimental design do not accommodate correlation structure in observational errors produced by many expensive-to-operate devices such as X-ray machines, radars, and satellites. Discarding evident data correlations leads to biased results, higher expenses, and waste of valuable resources. We present a general formulation of the OED formalism for model-constrained large-scale Bayesian linear inverse problems, where measurement errors are generally correlated. The proposed approach utilizes the Hadamard product of matrices to formulate the weighted-likelihood, and is valid for both finite as well as infinite-dimensional Bayesian inverse problems. Extensive numerical experiments are carried out for empirical verification of the proposed approach using an advection-diffusion model, where the objective is to optimally place a small set of sensors, under a limited budget, to predict the concentration of a contaminant in a closed and bounded domain.

Correlated observations↗
DOE OSTI2023

Incremental Interval Assignment by Integer Linear Algebra with Improvements

Interval Assignment (IA) is the problem of selecting the number of mesh edges (intervals) for each curve for conforming quad and hex meshing. The intervals x is fundamentally integer-valued. Many other approaches perform numerical optimization then convert a floating-point solution into an integer solution, which is slow and error prone. We avoid such steps: we start integer, and stay integer. Incremental Interval Assignment (IIA) uses integer linear algebra (Hermite normal form) to find an initial solution to the meshing constraints, satisfying the integer matrix equation Solving for reduced row echelon form provides integer vectors spanning the nullspace of A. Here we add vectors from the nullspace to improve the initial solution, maintaining Ax = b Heuristics find good integer linear combinations of nullspace vectors that provide strict improvement towards variable bounds or goals. IIA always produces an integer solution if one exists. In practice we usually achieve solutions close to the user goals, but there is no guarantee that the solution is optimal, nor even satisfies variable bounds, e.g. has positive intervals. We describe several algorithmic changes since first publication that tend to improve the final solution. The software is freely available.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2020

An Optimal Power Control Strategy for Grid-Following Inverters in a Synchronous Frame

This work proposes a power control strategy based on the linear quadratic regulator with optimal reference tracking (LQR-ORT) for a three-phase inverter-based generator (IBG) using an LCL filter. The use of an LQR-ORT controller increases robustness margins and reduces the quadratic value of the power error and control inputs during transient response. A model in a synchronous reference frame that integrates power sharing and voltage–current (V–I) dynamics is also proposed. This model allows for analyzing closed-loop eigenvalue location and robustness margins. The proposed controller was compared against a classical droop approach using proportional-resonant controllers for the inner loops. Mathematical analysis and hardware-in-the-loop (HIL) experiments under variations in the LCL filter components demonstrate fulfillment of robustness and performance bounds of the LQR-ORT controller. Experimental results demonstrate accuracy of the proposed model and the effectiveness of the LQR-ORT controller in improving transient response, robustness, and power decoupling.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Bounds on the Rate-Dependent Plastic Flow of Tantalum up to 75 GPa

In this study we report on the continued development of thermodynamics-based analysis of shock waves propagation with the objective of extracting information related to materials strength at high strain rates and pressures. Building on previous results reported for peak stresses of 10 GPa and 25 GPa, we present a series of three-step gas-gun shock experiments designed to explore the pressure and strain rate dependence of plastic flow in polycrystalline tantalum. These experiments at nominal peak stresses of 50 GPa and 75 GPa show the irreversible deformation before pullback to be almost entirely confined to the shock loading, with negligible plastic relaxation on the post-shock plateau. We also add a reverse-ballistics shot at 25 GPa, which was designed to reveal the pullback response with negligible interference from free-surface effects. General thermodynamic considerations allow us to place bounds on the plastic behavior even for parts of the curve that change far too rapidly for the velocimetric time resolution of (conservatively) ~ 5 ns. To analyze the data, we found it necessary to substantially improve the interpolation/extrapolation scheme in order to improve its robustness, flexibility and range of applicability. We describe the new scheme based on splines, as well as an extension of free-surface corrections to the post-shock rarefaction waves. Reanalysis with the new scheme produces results essentially within the error bars previously reported, showing that the known systematic errors associated with free-surface effects are relatively inconsequential for determining thermodynamic paths.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Variational approach to relative entropies with an application to QFT

Abstract We define a new divergence of von Neumann algebras using a variational expression similar in nature to Kosaki’s formula for Umegaki’s relative entropy. Our divergence satisfies several of the usual desirable properties, upper bounds the sandwiched Renyi entropy and reduces to the fidelity in a limit. As an illustration, we use the formula in quantum field theory to compute our divergence between the vacuum in a bipartite system and an “orbifolded”—in the sense of a conditional expectation—system in terms of the Jones index. We take the opportunity to point out an entropic certainty relation associated with an inclusion of von Neumann factors related to the relative entropy. This certainty relation has an equivalent formulation in terms of error correcting codes.

Hollands, Stefan↗
DOE OSTI2026

Limiter-aware adaptive excitation control for hydropower generators with legacy voltage regulation systems

Hydropower units often rely on legacy excitation systems with fixed automatic voltage regulator (AVR) settings, but parameter drift, changing operating conditions, and evolving grid-service demands can degrade terminal-voltage regulation over time. This problem should be addressed because poor voltage regulation affects reactive-power support, system stability, and reliable plant operation, and replacing installed AVR and limiter logic is costly and disruptive in practice. To address this issue, this paper proposes a retrofit-friendly enhancement for hydropower generator excitation systems that combines adaptive tuning of the AVR middle lead–lag branch with a small proportional-integral correction for removing steady bias and slow drift. The adaptive laws are normalized, projection-bounded, and equipped with leakage, while adaptation is enabled only in the middle branch. Thus, the intent of the underexcitation and overexcitation limiters, as well as legacy current and rate limits, remains unchanged. Stability is analyzed under incremental performance assumptions, yielding boundedness and asymptotic tracking in the absence of saturation. The method is evaluated using real operational data from a utility-scale hydropower unit at Rocky Reach Dam, Unit C-8. Compared with the fixed AVR baseline, the proposed method reduces terminal-voltage mean squared error by about 70%, removes long periods of steady-state bias, and improves transient tracking while coexisting with limiter actions. These results show that substantial voltage-control improvement can be achieved on existing hydropower units with minimal integration effort and without replacing the installed AVR structure.

ESST5B model↗
DOE OSTI2023

BUQEYE guide to projection-based emulators in nuclear physics

The BUQEYE collaboration (Bayesian Uncertainty Quantification: Errors in Your effective field theory) presents a pedagogical introduction to projection-based, reduced-order emulators for applications in low-energy nuclear physics. The term emulator refers here to a fast surrogate model capable of reliably approximating high-fidelity models. As the general tools employed by these emulators are not yet well-known in the nuclear physics community, we discuss variational and Galerkin projection methods, emphasize the benefits of offline-online decompositions, and explore how these concepts lead to emulators for bound and scattering systems that enable fast and accurate calculations using many different model parameter sets. We also point to future extensions and applications of these emulators for nuclear physics, guided by the mature field of model (order) reduction. All examples discussed here and more are available as interactive, open-source Python code so that practitioners can readily adapt projection-based emulators for their own work.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2026

Concordant Mode Approach (CMA): Vibrational Analysis of New and Upgraded Intermolecular Benchmarks for Noncovalent Bonding

The Concordant Mode Approach (CMA) is a novel method that offers tremendous potential for increasing the system size and the level of theory attainable in quantum chemical computations of molecular vibrational frequencies. To investigate the extension of CMA to intermolecular vibrations, computations with coupled cluster singles and doubles with perturbative triples theory [CCSD(T)] using two augmented correlation-consistent polarized-valence triple-ζ basis sets (aug-cc-pVTZ or h-aug-ccpVTZ) were performed on 17 prototypical loosely bound complexes of hydrogen-bonded, dispersion, and mixed character. These Level A results provide new and upgraded benchmarks for noncovalent bonding and a severe test for CMA vibrational analyses. The Level A target frequencies were recovered remarkably well using second-order Møller−Plesset perturbation theory (MP2) with h-aug-cc-pVTZ for generating the underlying (Level B) normal modes of the CMA scheme. Employing this Level B within the lowest-rung CMA-0A method reproduces the 435 benchmark frequencies with a mean absolute error (MAE) of 0.23 cm −1 and a corresponding standard deviation (σ) of 0.84 cm −1 ; strikingly, the corresponding subset of 106 interfragment frequencies exhibits MAE = 0.34 cm −1 and σ = 0.90 cm −1 . Subsequent application of the higher-rung CMA-2A scheme eliminates all outliers and reduces the overall MAE to a minuscule 0.08 cm −1 with the inclusion of only 3.0% of the off-diagonal couplings not accounted for by CMA-0A. Accordingly, the highly efficient CMA methodology proves to be robust even for vibrations on flat potential energy surfaces.

Aromatic compounds↗
DOE OSTI2023

Approximate symmetries and quantum error correction

Abstract Quantum error correction (QEC) is a key concept in quantum computation as well as many areas of physics. There are fundamental tensions between continuous symmetries and QEC. One vital situation is unfolded by the Eastin–Knill theorem, which forbids the existence of QEC codes that admit transversal continuous symmetry actions (transformations). Here, we systematically study the competition between continuous symmetries and QEC in a quantitative manner. We first define a series of meaningful measures of approximate symmetries motivated from different perspectives, and then establish a series of trade-off bounds between them and QEC accuracy utilizing multiple different methods. Remarkably, the results allow us to derive general quantitative limitations of transversally implementable logical gates, an important topic in fault-tolerant quantum computation. As concrete examples, we showcase two explicit types of quantum codes, obtained from quantum Reed–Muller codes and thermodynamic codes, respectively, that nearly saturate our bounds. Finally, we discuss several potential applications of our results in physics.

Physics↗
DOE OSTI2024

Dynamics of qudit gates and effects of spectator modes on optimal control pulses

Qudit gates for high-dimensional quantum computing can be synthesized with high precision using numerical quantum optimal control techniques. Large circuits are broken down into modules and the tailored pulses for each module can be used as primitives for a qudit compiler. Application of the pulses of each module in the presence of extra modes may decrease their effectiveness due to crosstalk. In this paper, we address this problem by simulating qudit dynamics for circuit quantum electrodynamics systems. As a test case, we take pulses for single-qudit swap gates optimized in isolation and then apply them in the presence of spectator modes each of which are in Fock states. We provide an experimentally relevant scaling formula that can be used as a bound on the fidelity decay. Our results show that frequency shift from spectator mode populations has to be ≲ 0.1 % of the qudit's nonlinearity in order for high-fidelity single-qudit gates to be useful in the presence of occupied spectator modes.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Radiation transfer in the spectra of short-pulse laser-heated targets

The conditions in laser-produced plasmas are frequently determined with x-ray spectroscopy by comparing calculated to measured spectra. Line spectra from K-shell transitions of low- to mid-atomic number elements are most often used since the important physical processes are well understood and reliable spectra can be readily measured and calculated. Radiation transfer effects due to large optical depths of strong lines can influence the spectra. In this work, the effects of radiation transfer on the emission spectra of short-laser pulse-heated targets are studied. The possible errors made in inferring electron temperature by not including radiation transfer are quantified. The inclusion of radiative transfer in spectral calculations improves the accuracy of typical temperature diagnostics and allows the use of strong lines for diagnostics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

The ghost in the radiation: robust encodings of the black hole interior

We reconsider the black hole firewall puzzle, emphasizing that quantum error-correction, computational complexity, and pseudorandomness are crucial concepts for understanding the black hole interior. We assume that the Hawking radiation emitted by an old black hole is pseudorandom, meaning that it cannot be distinguished from a perfectly thermal state by any efficient quantum computation acting on the radiation alone. We then infer the existence of a subspace of the radiation system which we interpret as an encoding of the black hole interior. This encoded interior is entangled with the late outgoing Hawking quanta emitted by the old black hole, and is inaccessible to computationally bounded observers who are outside the black hole. Specifically, efficient operations acting on the radiation, those with quantum computational complexity polynomial in the entropy of the remaining black hole, commute with a complete set of logical operators acting on the encoded interior, up to corrections which are exponentially small in the entropy. Thus, under our pseudorandomness assumption, the black hole interior is well protected from exterior observers as long as the remaining black hole is macroscopic. On the other hand, if the radiation is not pseudorandom, an exterior observer may be able to create a firewall by applying a polynomial-time quantum computation to the radiation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

New dark matter analysis of milky way dwarf satellite galaxies with madhatv2

We obtain bounds on dark matter annihilation using 14 years of publicly available Fermi-LAT data from a set of 54 dwarf spheroidal galaxies, using spectral information from 16 energy bins. We perform this analysis using our updated and publicly available code , which can be used to test a variety of models for dark matter particle physics and astrophysics in an accessible manner. In particular, we note that including Carina III in the analysis strengthens constraints on s -wave annihilation into two-body Standard Model final states by a factor of ∼ 3 but broadens the error on the constraint due to the large uncertainty of its J -factor. Our findings illustrate the importance of verifying if Carina III is in fact a dwarf spheroidal galaxy and measuring more precisely its J -factor. More generally, they highlight the significance of forthcoming discoveries of nearby ultrafaint dwarfs for dark matter indirect detection. Published by the American Physical Society 2024

Astronomy & Astrophysics↗
DOE OSTI2022

Ab initio nucleon-nucleus elastic scattering with chiral effective field theory uncertainties

Effective interactions for nucleon-nucleus elastic scattering from first principles require the use of the same nucleon-nucleon interaction in the structure and reaction calculations and a consistent treatment of the relevant operators at each order. Systematic investigations of the effect of truncation uncertainties of chiral nucleon-nucleon ( N N ) forces have been carried out for scattering observables in the two- and three-nucleons system as well as for bound-state properties of light nuclei. Here we extend this type of study to proton and neutron elastic scattering for 16 O and 12 C. Using the frameworks of the spectator expansion of multiple scattering theory as well as the no-core shell model, we employ one specific chiral interaction from the LENPIC collaboration and consistently calculate the leading-order effective nucleon-nucleus interaction up to the third chiral order, from which we extract elastic scattering observables. Then we apply pointwise as well as correlated uncertainty quantification for the estimation of the chiral truncation error. We calculate and analyze proton elastic scattering observables for 16 O and 12 C as well as neutron elastic scattering observables for 12 C between 65 and 185 MeV projectile kinetic energy. We find in all cases qualitatively similar results for the chiral truncation uncertainties as in few-body systems and assess them using similar diagnostic tools. The order-by-order convergence of the scattering observables for 16 O and 12 C is very reasonable around 100 MeV, while for higher energies the chiral expansion parameter becomes too large for convergence. Comparing proton and neutron differential cross sections reveals that their description is comparable up to around 100 MeV. Here, we also find a nearly perfect correlation between the differential cross section for neutron scattering and the N N Wolfenstein amplitudes for small momentum transfers. The diagnostic tools for studying order-by-order convergence in observables in few-body systems can be employed for observables in nucleon-nucleus scattering with only minor modifications provided the momentum scale in the problems is not too large. We also find that the chiral N N interaction on which our study is based gives a very good description of differential cross sections for 16 O and 12 C as low as 65-MeV projectile energy, particularly in the forward direction. In addition, the very forward direction of the neutron differential cross section mirrors the behavior of the N N interaction amazingly well.

6 ≤ A ≤ 19↗
DOE OSTI2025

Time-Varying Output Delay Compensation-A Model-Free Approach and its Application on Cooperative On-Ramp Merging

This paper presents a model-free approach to compensate for time-varying output delay in networked control systems. The proposed architecture combines a model-free observer and the Smith predictor. The model-free observer estimates the current state while handling modeling errors and uncertainties of the system. The Smith predictor moves the effect of time delay outside the control closed-loop using the estimated delayed output and the actual output of the plant. The proposed method is applied to a cooperative on-ramp merging problem. First, an ultra-local model predictive control is implemented to provide a computationally efficient online speed planner agnostic to the vehicle dynamics. After that, a model-free observer is designed to estimate the current state. Finally, the proposed architecture is tested against a time-varying output delay with an upper bound of 200 milliseconds. The results demonstrate the effectiveness of the proposed method with improved tracking of intervehicle distance.

Waleed khan, Muhammad [The University of Texas at ↗