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At least 829 records · Page 46
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Detecting dark matter substructures on small scales with fast radio bursts

The matter power spectrum is only weakly constrained on subgalactic scales, while physics beyond the Standard Model can leave unique imprints, especially on sub-parsec scales. We propose measuring the arrival-time difference of fast radio bursts (FRBs) along two adjacent sightlines as a new probe to dark matter substructures on scales down to ∼ 1 AU . We discuss two observational scenarios in which it may be possible to place interesting constraints on such models through the monitoring of repeating FRB sources: (i) By sending radio receivers to space to form a baseline of tens of AU or more and measuring the temporal variation of the arrival-time difference between receivers. (ii) By measuring the temporal variation of the arrival-time difference between two lensed images of one strongly lensed repeater. In both scenarios, obtaining interesting constraints requires correlating the voltage time series to measure the radio signal arrival time to sub-nanosecond precision. We find that two radio dishes separated by 20 AU may be sensitive to the enhancement of small-scale structures at ∼ 10 - 8 M ⊙ masses in the QCD axion dark matter scenario, or from an early epoch of matter domination with a reheating temperature up to 60 MeV. Other dark matter models, such as those composed of ∼ 10 - 13 M ⊙ primordial black holes produced during inflation, would also be probed by this method. We further show that a strong lensing situation of multiple images provides an equivalent ∼ 2000 AU ( σ v / 10 3 km s - 1 ) ( δ t / 10 yr ) baseline, for a typical velocity of dark matter substructures σ v and an observational time span δ . This is much more sensitive, but with the uncertainty that intervening decoherence from the interstellar medium may degrade the timing precision, and that spatial variation in the FRB emission spot may result in confounding signals. We show that the lensing magnifications of Type Ia supernovae constrain a similar quantity to such FRB timing, with present limits being equivalent to ruling out the same parameter space that would be probed by a 0.14 AU baseline.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Dynamical ejecta from binary neutron star mergers: Impact of a small residual eccentricity and of the equation of state implementation

Predicting the properties of the matter ejected during and after a neutron star merger is crucial to our ability to use electromagnetic observations of these mergers to constrain the masses of the neutron stars, the equation of state of dense matter, and the role of neutron star mergers in the enrichment of the Universe in heavy elements. Furthermore, our ability to reliably provide such predictions is however limited by a broad range of factors, including the finite resolution of numerical simulations, their treatment of magnetic fields, neutrinos, and neutrino-matter interactions, and the approximate modeling of the equation of state of dense matter. In this manuscript, we study specifically the role that a small residual eccentricity and different implementations of the same equation of state have on the matter ejected during the merger of a 1.3M ⊙ –1.4M ⊙ binary neutron star system. We find that a residual eccentricity e ~ 0.01, as measured ~ 4–6 orbits before merger, causes O(25%–30%) changes in the amount of ejected mass, mainly due to changes in the amount of matter ejected as a result of core bounces during merger. We note that O(1%) residual eccentricities have regularly been used in binary neutron star merger simulations as proxy for circular binaries, potentially creating an additional source of error in predictions for the mass of the dynamical ejecta.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Finite-size effects on small- x evolution and saturation in proton and nuclear targets

Within the color glass condensate effective field theory, we assess the importance of including a finite size for the target on observables sensitive to small- x evolution. To this end, we study the Balitsky-Kovchegov (BK) equation with impact-parameter dependence in the initial condition. We demonstrate that neglecting the dependence on the impact parameter can result in overestimated saturation effects for protons, while it has little effect for heavy nuclei at the energies available at current experiments. When fixing the nonperturbative parameters to the energy dependence of the exclusive J / ψ photoproduction cross section with proton targets, predictions for lead targets are not sensitive to the applied running-coupling prescription, the scheme chosen to resum large transverse logarithms in the BK equation, or the infrared regulator in the evolution. Published by the American Physical Society 2025

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2025

Quantum maximum entropy closure for small flavor coherence

Quantum angular moment transport schemes are an important avenue toward describing neutrino flavor mixing phenomena in dense astrophysical environments such as supernovae and merging neutron stars. Successful implementation will require new closure relations that go beyond those used in classical transport. In this paper, we derive the first analytic expression for a quantum M1 closure, valid in the limit of small flavor coherence, based on the maximum entropy principle. We verify that the resulting closure relation has the appropriate limits and characteristic speeds in the diffusive and free-streaming regimes. We then use this new closure in a moment linear stability analysis to search for fast flavor instabilities in a binary neutron star merger simulation and find better results as compared with previously designed, ad hoc , semiclassical closures.

astrophysical & cosmological simulations↗
DOE OSTI2025

Biased degenerate ground-state sampling of small Ising models with converged quantum approximate optimization algorithm

The quantum alternating operator ansatz, a generalization of the quantum approximate optimization algorithm (QAOA), is a quantum algorithm used for approximately solving combinatorial optimization problems. QAOA typically uses the transverse field mixer as the driving Hamiltonian. One of the interesting properties of the transverse field driving Hamiltonian is that it results in nonuniform sampling of degenerate ground states of optimization problems. In this study, we numerically examine the fair sampling properties of the transverse field mixer QAOA, and Grover mixer QAOA (GM-QAOA), which provides theoretical guarantees of fair sampling of degenerate optimal solutions, up to a large enough p such that the mean expectation value converges to an optimal approximation ratio of 1. This comparison is performed with high-quality heuristically computed, but not necessarily optimal, QAOA angles, which give strictly monotonically improving solution quality as p increases. These angles are computed using the Julia based numerical simulation software JuliQAOA. Fair sampling of degenerate ground states is quantified using the Shannon entropy of the ground-state amplitudes distribution. The fair sampling properties are reported on several quantum signature Hamiltonians from previous quantum annealing fair sampling studies. Small random fully connected spin glasses are shown, which exhibit exponential suppression of some degenerate ground states with transverse field mixer QAOA. The transverse field mixer QAOA simulations show that some problem instances clearly saturate the Shannon entropy of 0 with a maximally biased distribution that occurs when the learning converges to an approximation ratio of 1 while other problem instances never deviate from a maximum Shannon entropy (uniform distribution) at any p step. Published by the American Physical Society 2025

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Back-to-Back Inclusive Dijets in Deep Inelastic Scattering at Small x : Complete NLO Results and Predictions

We compute the back-to-back dijet cross section in deep inelastic scattering at small x to next-to-leading order (NLO) in the color glass condensate effective field theory. Our result can be factorized into a convolution of the Weizsäcker-Williams gluon transverse-momentum-dependent distribution function (WW gluon TMD) with a universal soft factor and an NLO coefficient function. The soft factor includes both double and single logarithms in the ratio of the relative transverse momentum P ⊥ of the dijet pair to the dijet momentum imbalance q ⊥ ; its renormalization group (RG) evolution is resummed into the Sudakov factor. Likewise, the WW TMD obeys a nonlinear RG equation in x that is kinematically constrained to satisfy both the lifetime and rapidity ordering of the projectile. Exact analytical expressions are obtained for the NLO coefficient function of transversely and longitudinally polarized photons. Our results allow for the first quantitative separation of the dynamics of Sudakov suppression from that of gluon saturation. They can be extended to other final states and provide a framework for precision tests of novel QCD many-body dynamics at the Electron-Ion Collider. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Electronic structure and small-hole polarons in YTiO 3

As a prototypical Mott insulator with ferromagnetic ordering, YTiO 3 (YTO) is of great interest in the study of strong electron correlation effects and orbital ordering. Here we report the first molecular beam epitaxy (MBE) growth of YTO films, combined with theoretical and experimental characterizations of the electronic structure and charge transport properties. The obstacles of YTO MBE growth are discussed and potential routes to overcome them are proposed. DC transport and Seebeck measurements on thin films and bulk single crystals identify p-type Arrhenius transport behavior with an activation energy of ~0.17 eV in thin films, consistent with the energy barrier for small hole polaron migration from hybrid density functional theory calculations. Hard x-ray photoelectron spectroscopy measurements show the lower Hubbard band at 1.1 eV below the Fermi level, whereas a Mott-Hubbard band gap of ~1.5 eV is determined from photoluminescence measurements. These findings provide critical insight into the electronic band structure of YTO and related materials.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coordinate-based simulation of pair distance distribution functions for small and large molecular assemblies: implementation and applications

X-ray scattering has become a major tool in the structural characterization of nanoscale materials. Thanks to the widely available experimental and computational atomic models, coordinate-based X-ray scattering simulation has played a crucial role in data interpretation in the past two decades. However, simulation of real-space pair distance distribution functions (PDDFs) from small- and wide-angle X-ray scattering, SAXS/WAXS, has been relatively less exploited. This study presents a comparison of PDDF simulation methods, which are applied to molecular structures that range in size from β-cyclodextrin [1 kDa molecular weight (MW), 66 non-hydrogen atoms] to the satellite tobacco mosaic virus capsid (1.1 MDa MW, 81 960 non-hydrogen atoms). The results demonstrate the power of interpretation of experimental SAXS/WAXS from the real-space view, particularly by providing a more intuitive method for understanding of partial structure contributions. Furthermore, the computational efficiency of PDDF simulation algorithms makes them attractive as approaches for the analysis of large nanoscale materials and biological assemblies. The simulation methods demonstrated in this article have been implemented in stand-alone software, SolX 3.0 , which is available to download from https://12idb.xray.aps.anl.gov/solx.html.

Zuo, Xiaobing (ORCID:0000000201344804)↗
DOE OSTI2026

Feasibility of Correlation-Aware Inference and Universal Precision Scaling in Bonse–Hart Ultra-Small-Angle Neutron Scattering

Bonse–Hart ultra-small-angle neutron scattering (USANS) provides access to micrometre-scale structure, but useful measurements often require long counting times. In this work, we test whether the expected smoothness of the scattering profile can be exploited to improve data quality at lower counting statistics. We apply a Gaussian-process-based method to Bonse–Hart USANS data and evaluate its performance on pseudo-measurements generated from high-statistics experiments under Poisson statistics. This provides a stringent test of how well the underlying I(Q) profile can be reconstructed when the available counts are substantially reduced. We further show that, in the counting-limited regime, the reconstruction error follows a universal scaling behaviour that differs from the usual independent-counting expectation. At higher counts, the improvement crosses over to a resolution-limited regime set by analyser-angle discretization and rocking-curve width. These results clarify when correlation-aware inference is useful in USANS and provide a practical basis for improving measurement efficiency and beam-time usage.

Tung, Chi-Huan [ORNL] (ORCID:0000000221972074)↗
DOE OSTI2025

Fast event-based electron counting for small-molecule structure determination by MicroED

Electron counting helped realize the resolution revolution in single-particle cryoEM and is now accelerating the determination of MicroED structures. Its advantages are best demonstrated by new direct electron detectors capable of fast (kilohertz) event-based electron counting (EBEC). This strategy minimizes the inaccuracies introduced by coincidence loss (CL) and promises rapid determination of accurate structures. We used the Direct Electron Apollo camera to leverage EBEC technology for MicroED data collection. Given its ability to count single electrons, the Apollo collects high-quality MicroED data from organic small-molecule crystals illuminated with incident electron beam flux densities as low as 0.01–0.045 e − /Å 2 /s. Under even the lowest flux density (0.01 e − /Å 2 /s) condition, fast EBEC data produced ab initio structures of a salen ligand (268 Da) and biotin (244 Da). Each structure was determined from a 100° wedge of data collected from a single crystal in as few as 50 s, with a delivered fluence of only ∼0.5 e − /Å 2 . Fast EBEC data collected with a fluence of 2.25 or 3.33 e − /Å 2 also facilitated a 1.5 Å structure of thiostrepton (1665 Da). While refinement of these structures appeared unaffected by CL, a CL adjustment applied to EBEC data further improved the distribution of intensities measured from the salen ligand and biotin crystals. However, CL adjustment only marginally improved the refinement of their corresponding structures, signaling the already high counting accuracy of detectors with counting rates in the kilohertz range. Overall, by delivering low-dose structure-worthy data, fast EBEC collection strategies open new possibilities for high-throughput MicroED.

EBEC↗
DOE OSTI2022

Application of sulfur SAD to small crystals with a large asymmetric unit and anomalous substructure

The application of sulfur single-wavelength anomalous dispersion (S-SAD) to determine the crystal structures of macromolecules can be challenging if the asymmetric unit is large, the crystals are small, the size of the anomalously scattering sulfur structure is large and the resolution at which the anomalous signals can be accurately measured is modest. Here, as a study of such a case, approaches to the SAD phasing of orthorhombic Ric-8A crystals are described. The structure of Ric-8A was published with only a brief description of the phasing process [Zeng et al. (2019), Structure , 27 , 1137–1141]. Here, alternative approaches to determining the 40-atom sulfur substructure of the 103 kDa Ric-8A dimer that composes the asymmetric unit are explored. At the data-collection wavelength of 1.77 Å measured at the Frontier micro-focusing Macromolecular Crystallography (FMX) beamline at National Synchrotron Light Source II, the sulfur anomalous signal strength, |Δ ano |/σΔ ano ( d ′′/sig), approaches 1.4 at 3.4 Å resolution. The highly redundant, 11 000 000-reflection data set measured from 18 crystals was segmented into isomorphous clusters using BLEND in the CCP 4 program suite. Data sets within clusters or sets of clusters were scaled and merged using AIMLESS from CCP 4 or, alternatively, the phenix.scale_and_merge tool from the Phenix suite. The latter proved to be the more effective in extracting anomalous signals. The HySS tool in Phenix , SHELXC / D and PRASA as implemented in the CRANK 2 program suite were each employed to determine the sulfur substructure. All of these approaches were effective, although HySS , as a component of the phenix.autosol tool, required data from all crystals to find the positions of the sulfur atoms. Critical contributors in this case study to successful phase determination by SAD included (i) the high-flux FMX beamline, featuring helical-mode data collection and a helium-filled beam path, (ii) as recognized by many authors, a very highly redundant, multiple-crystal data set and (iii) the inclusion within that data set of data from crystals that were scanned over large ω ranges, yielding highly isomorphous and highly redundant intensity measurements.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Q -score as a reliability measure for protein, nucleic acid and small-molecule atomic coordinate models derived from 3DEM maps

Atomic coordinate models are important for the interpretation of 3D maps produced with cryoEM and cryoET (3D electron microscopy; 3DEM). In addition to visual inspection of such maps and models, quantitative metrics can inform about the reliability of the atomic coordinates, in particular how well the model is supported by the experimentally determined 3DEM map. A recently introduced metric, Q-score, was shown to correlate well with the reported resolution of the map for well fitted models. Here, we present new statistical analyses of Q-score based on its application to ∼10 000 maps and models archived in the EMDB (Electron Microscopy Data Bank) and PDB (Protein Data Bank). Further, we introduce two new metrics based on Q-score to represent each map and model relative to all entries in the EMDB and those with similar resolution. We explore through illustrative examples of proteins, nucleic acids and small molecules how Q-scores can indicate whether the atomic coordinates are well fitted to 3DEM maps and also whether some parts of a map may be poorly resolved due to factors such as molecular flexibility, radiation damage and/or conformational heterogeneity. These examples and statistical analyses provide a basis for how Q-scores can be interpreted effectively in order to evaluate 3DEM maps and atomic coordinate models prior to publication and archiving.

B factors↗
DOE OSTI2024

Partitioning of Large-Scale Power Electronics-Based Power Systems for Small-Signal Stability Analysis

The nodal admittance matrix (NAM)-based approach is suitable for analyzing the small-signal stability of large-scale power electronics-based power systems (PEPSs) as it preserves the system structure by utilizing the admittance matrix. Previously, NAM-based area partition has been proposed, which divides the system into various subareas and interconnections for easier analysis of the low-dimension matrix compared to the entire system-based high-dimension matrix. However, no partition algorithm has been presented for the NAM-based area partition method. This paper focuses on implementing the spectral partitioning algorithm for partitioning large-scale PEPSs into a low-dimension matrix to reduce the computation complexity of the analysis. These spectral components facilitate data transformation into a new space, enabling the application of traditional clustering methods like k-means. To evaluate the performance of the partitioning method, the subareas and interconnections obtained from the spectral clustering algorithm are incorporated into the NAM-based area partition method for a large system with 140 buses. The computational times of the original method, where the NAM-based criterion is directly applied to the entire system, are compared with those of the NAM-based partition method in MATLAB. PSCAD simulations of the whole system and the obtained subareas are conducted to validate the effectiveness of the proposed algorithm.

Nupur, Nupur↗
DOE OSTI2026

Pixel-Resolved Long-Context Learning for Turbulence at Exascale: Resolving Small-scale Eddies Toward the Viscous Limit

Turbulence plays a crucial role in multiphysics applications, including aerodynamics, fusion, and combustion. Accurately capturing turbulence's multiscale characteristics is essential for reliable predictions of multiphysics interactions, but remains a grand challenge even for exascale supercomputers and advanced deep learning models. The extreme-resolution data required to represent turbulence, ranging from billions to trillions of grid points, pose prohibitive computational costs for models based on architectures like vision transformers. To address this challenge, we introduce a multiscale hierarchical Turbulence Transformer that reduces sequence length from billions to a few millions and a novel RingX sequence parallelism approach that enables scalable long-context learning. We perform scaling and science runs on the Frontier supercomputer. Our approach demonstrates excellent performance up to 1.1 EFLOPS on 32,768 AMD GPUs, with a scaling efficiency of 94\%. To our knowledge, this is the first AI model for turbulence that can capture small-scale eddies down to the dissipative range in three-dimensional turbulence at high Reynolds numbers.

Yin, Junqi [ORNL] (ORCID:0000000338435520)↗
DOE OSTI2025

Spectral Clustering-Based Partitioning of Large-Scale Power Electronics-Based Power Systems for Small-Signal Stability Analysis

The nodal admittance matrix (NAM)-based approach is well-suited for small-signal stability analysis of large-scale power electronics-based power systems (PEPSs), as it preserves the system structure through its admittance matrix. Previous studies have explored partitioning such systems into subareas and interconnections to reduce computational burden; however, they lacked a formal algorithmic procedure for determining feasible partitions. While several grid partitioning methods, such as those based on graph theory or machine learning, exist in the literature, they cannot be directly applied to NAM-based analysis due to differing objectives and constraints. Here, this paper addresses this gap by presenting a systematic, step-by-step procedure for applying a spectral partitioning algorithm that yields a division of the system into subareas suitable for NAM-based analysis. The computational complexity of the proposed method is also derived to demonstrate its efficiency and justify the practicality of the resulting subarea decomposition. The performance of the partitioning method is evaluated by applying the spectral clustering-derived subareas and interconnections to the NAM-based partitioning approach on a 140-bus system. Computational times for the full-system and partitioned NAM analyses are compared using MATLAB. Additionally, PSCAD simulations of the complete system and partitioned subareas are carried out to verify the effectiveness of the proposed method.

Nupur [Univ. of Tennessee, Knoxville, TN (United S↗
DOE OSTI2022

Development of a Small-Aperture Cos-theta Dipole Insert Coil Based on Bi2212 Rutherford Cable and Stress Management Structure

The U.S. Magnet Development Program (US-MDP) is developing high-field accelerator magnets with magnetic fields beyond the limits of Nb3Sn technology based on high temperature superconductor Bi 2 Sr 2 CaCu 2 O 8-x (Bi2212). However, Bi2212 wires and cables are sensitive to transverse stresses and strains, which are substantial in high-field accelerator magnets. To prevent large degradation of the Bi2212 coils and achieve the required field quality, an innovative design which provides turn positioning during coil fabrication and operation and manage azimuthal and radial strains/stresses in the coil has been proposed at FNAL. This paper describes the development of a small-aperture two-layer Bi2212 dipole coil with stress management. The main parameters of the Bi2212 wire and Rutherford cable, the design of coil stress management structure and its plastic model, the coil mechanical analysis in the dipole mirror configuration are presented and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Studies on small charge packet transport in high-resistivity fully-depleted CCDs

In this work, we will present a physical model and measurements of the transport of small charge packets in the bulk of thick high resistivity CCD before being collected by the pixel potential wells. A new technique to measure the lateral spread of the charge as a function of the ionization depth in the bulk is presented. Results from measurements on CCD currently in use for several scientific instruments are shown and validated with a new mathematical algorithm to extend the current modeling based only on the diffusion of the charge in silicon.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2020

Design and Testing of the Address in Real-Time Data Driver Card for the Micromegas Detector of the ATLAS New Small Wheel Upgrade

The Address in Real Time Data Driver Card (ADDC) is designed to transmit the trigger data in the Micro-Mesh Gaseous Structure (Micromegas) detector of the ATLAS New Small Wheel (NSW) upgrade. The Address in Real Time (ART) signals are generated by the front-end ASIC, named VMM chip, to indicate the address of the first above-threshold event. A custom ASIC (ART ASIC) is designed to receive the ART signals from the VMM chip and implement the hit-selection. The processed data from the ART ASIC will be transmitted out of the NSW through the GBTx serializer, the unidirectional Versatile Twin Transmitter (VTTx) and fiber optical links. The ART signal is critical for the ATLAS experiment trigger selection thus the performance and stability of the ADDC is very important. To ensure extensive testing of the ADDC, an FPGA Mezzanine Card (FMC) based testing platform and a special designed firmware/software are developed. We find that this test platform works with the commercial Xilinx VC707 FPGA development kit, independent of the other electronics of the NSW it can test all the functions of the ADDC and its long-term stability. This paper will introduce the design, testing procedure and results of the ADDC and the FMC testing platform.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗