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At least 487 records · Page 27
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Robustness and Eventual Slow Decay of Bound States of Interacting Microwave Photons in the Google Quantum AI Experiment

Integrable models are characterized by the existence of stable excitations that can propagate indefinitely without decaying. This includes multimagnon bound states in the celebrated 𝑋⁢𝑋⁢𝑍 spin-chain model and its integrable Floquet counterpart. A recent Google Quantum AI experiment [A. Morvan et al., Nature 612, 240 (2022)] realizing the Floquet model has demonstrated the persistence of such collective excitations even when the integrability is broken: this observation is at odds with the expectation of ergodic dynamics in generic nonintegrable systems. Here, we study the spectrum of the model realized in the experiment using exact diagonalization and physical arguments. We find that isolated bands corresponding to the descendants of the exact bound states of the integrable model are clearly observable in the spectrum for a large range of system sizes. However, our numerical analysis of the localization properties of the eigenstates suggests that the bound states become unstable in the thermodynamic limit. A perturbative estimate of the decay rate agrees with the prediction of an eventual instability for large system sizes.

Exact diagonalization↗
DOE OSTI2022

A cautionary tale of decorrelating theory uncertainties

A variety of techniques have been proposed to train machine learning classifiers that are independent of a given feature. While this can be an essential technique for enabling background estimation, it may also be useful for reducing uncertainties. We carefully examine theory uncertainties, which typically do not have a statistical origin. We will provide explicit examples of two-point (fragmentation modeling) and continuous (higher-order corrections) uncertainties where decorrelating significantly reduces the apparent uncertainty while the true uncertainty is much larger. These results suggest that caution should be taken when using decorrelation for these types of uncertainties as long as we do not have a complete decomposition into statistically meaningful components.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Charged Current Single Pion Production on SBND

The Short Baseline Neutrino (SBN) program at Fermilab is designed to provide precise measurements of neutrino oscillations using 3 Liquid Argon Time Projection Chambers (LArTPC) built along Fermilab's Booster Neutrino Beam (BNB). The Short Baseline Near Detector (SBND), located at only 110 m from the BNB target, will precisely characterize the neutrino flux before oscillations take place, thanks to its unprecedented neutrino interaction statistics. Due to its proximity to the neutrino production target, the detector expects over a million neutrino interactions annually, which will open the possibility of exploring exclusive channels of neutrino interactions. This poster will show SBND’s capabilities of exploring Muon Neutrino Charged Current Single Pion production, for which previous measurements in Argon were limited by statistics. The poster will introduce the relevance of this process for neutrino Physics, the unique possibilities of SBND and a preliminary event selection using SBND's current reconstruction tools.

43 PARTICLE ACCELERATORS↗
DOE OSTI2022

Induced microearthquakes predict permeability creation in the brittle crust

Predicting the evolution of permeability accurately during stimulation at the reservoir scale and at the resolution of individual fractures is essential to characterize the fluid transport and the reactive/heat-transfer characteristics of reservoirs where stress exerts significant control. Here, we develop a hybrid machine learning (ML) model to visualize in situ permeability evolution for an intermediate-scale (~10 m) hydraulic stimulation experiment. This model includes an ML model that was trained using the well history of flow rate and wellhead pressure and MEQ data from the first three stimulation episodes to predict average permeability from the statistical features of the MEQs alone for later episodes. Moreover, a physics-inspired model is integrated to estimate in situ fracture permeability spatially. This method relates fracture permeability to fracture dilation and scales dilation to the equivalent MEQ magnitude, according to laboratory observations. The seismic data are then applied to define incremental changes in permeability in both space and time. Our results confirm the excellent agreement between the ground truth and model-predicted permeability evolution. The resulting permeability map defines and quantifies flow paths in the reservoir with the averaged permeability comparing favorably with the ground truth of permeability.

induced seismicity↗
DOE OSTI2020

A Template-based Approach to the Photometric Classification of SN 1991bg-like Supernovae in the SDSS-II Supernova Survey

The use of SNe Ia to measure cosmological parameters has grown significantly over the past two decades. However, there exists a significant diversity in the SN Ia population that is not well understood. Overluminous SN 1991T-like and subluminous SN 1991bg-like objects are two characteristic examples of peculiar SNe. The identification and classification of such objects is an important step in studying what makes them unique from the remaining SN population. With the upcoming Vera C. Rubin Observatory promising on the order of a million new SNe over a 10 year survey, spectroscopic classifications will be possible for only a small subset of observed targets. As such, photometric classification has become an increasingly important concern in preparing for the next generation of astronomical surveys. Using observations from the Sloan Digital Sky Survey II (SDSS-II) SN Survey, we apply here an empirically based classification technique targeted at the identification of SN 1991bg-like SNe in photometric data sets. By performing dedicated fits to photometric data in the rest-frame redder and bluer bandpasses, we classify 16 previously unidentified 91bg-like SNe. Using SDSS-II host galaxy measurements, we find that these SNe are preferentially found in host galaxies with an older average stellar age than the hosts of normal SNe Ia. We also find that these SNe are found at a further physical distance from the center of their host galaxies. We find no statistically significant bias in host galaxy mass or specific star formation rate for these targets.

Astronomy & Astrophysics↗
DOE OSTI2025

Algorithm to extract direction in 2D discrete distributions and a continuous Frobenius norm

In this study, we present a novel algorithm for determining directionality in 2D distributions of discrete data. We compare a reference dataset with a known direction to a measured dataset with an unknown direction by the Frobenius norm of the difference (FND) to find the unknown direction. To generalize this concept, we develop a continuous Frobenius norm of the difference (CFND) as a continuous analog of the FND and derive its analytical expression. By relating fitted and normalized 2D Gaussian distributions, we show that the CFND approximates the FND, and we validate this relationship with computer simulations. We find that a first-order approximation of the CFND between two similar Gaussian distributions takes the form of an absolute sine function, offering a simple analytical form with potential for specialized applications in segmented inverse beta decay (IBD) neutrino detectors, astronomy, machine learning, and more. Although this method may easily extend to 3D scalar fields, our focus here is on 2D real-valued fields as it directly applies to directionality. Our methodology consists of modeling a 2D Gaussian distribution, binning the data into a histogram, and encoding it as a square matrix. Rotating this matrix around its geometric center and comparing it to a measured dataset using the FND gives us rotational data that we fit with an absolute sine function. The location of the minimum of this fit is the angle closest to the true angle of the direction in the measured dataset. We present the derivation and discuss initial applications of the CFND in our novel algorithm, demonstrating its success in approximating directionality in 2D distributions.

Data Analysis, Statistics and Probability (physics↗
DOE OSTI2021

An overview of the ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) project: aerosol–cloud–radiation interactions in the southeast Atlantic basin

Southern Africa produces almost a third of the Earth's biomass burning (BB) aerosol particles, yet the fate of these particles and their influence on regional and global climate is poorly understood. ORACLES (ObseRvations of Aerosols above CLouds and their intEractionS) is a 5-year NASA EVS-2 (Earth Venture Suborbital-2) investigation with three intensive observation periods designed to study key atmospheric processes that determine the climate impacts of these aerosols. During the Southern Hemisphere winter and spring (June-October), aerosol particles reaching 3-5 km in altitude are transported westward over the southeast Atlantic, where they interact with one of the largest subtropical stratocumulus (Sc) cloud decks in the world. The representation of these interactions in climate models remains highly uncertain in part due to a scarcity of observational constraints on aerosol and cloud properties, as well as due to the parameterized treatment of physical processes. Three ORACLES deployments by the NASA P-3 aircraft in September 2016, August 2017, and October 2018 (totaling ~350 science flight hours), augmented by the deployment of the NASA ER-2 aircraft for remote sensing in September 2016 (totaling ~100 science flight hours), were intended to help fill this observational gap. ORACLES focuses on three fundamental science themes centered on the climate effects of African BB aerosols: (a) direct aerosol radiative effects, (b) effects of aerosol absorption on atmospheric circulation and clouds, and (c) aerosol–cloud microphysical interactions. This paper summarizes the ORACLES science objectives, describes the project implementation, provides an overview of the flights and measurements in each deployment, and highlights the integrative modeling efforts from cloud to global scales to address science objectives. Significant new findings on the vertical structure of BB aerosol physical and chemical properties, chemical aging, cloud condensation nuclei, rain and precipitation statistics, and aerosol indirect effects are emphasized, but their detailed descriptions are the subject of separate publications. The main purpose of this paper is to familiarize the broader scientific community with the ORACLES project and the dataset it produced.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Dynamic Rubies

Algorithmic art selected as a winner of the contest Pixel by Pixel: The Art of CHANCE, to be published in the April 2024 issue of CHANCE, the magazine of the American Statistical Association.

43 PARTICLE ACCELERATORS↗
DOE OSTI2026

Exploratory calculation of 𝐾 L → 𝜇 + ⁢𝜇 − decay from lattice QCD at physical pion mass

We compute the complex, long-distance two-photon-exchange amplitude which contributes to the rare 𝐾 L → 𝜇 + ⁢𝜇 − decay from lattice QCD. We use a 24 3 × 64 physical-pion-mass gauge field ensemble at an inverse lattice spacing of 1.023 GeV and a QED ∞ -based formalism. Our implementation strategies for all five non-SU(3)-flavor-suppressed diagram topologies are given in detail. We achieve a 25% statistical precision on the dispersive part of this long-distance amplitude. This calculation is carried out with 2+1 quark flavors and therefore requires the addition of counterterms to compensate for the absence of the Glashow-Iliopoulos-Maiani mechanism. These counterterms are not included in the current calculation and will be the subject of a second paper. Although a direct comparison to experiment cannot yet be made because of those omitted counterterms, the present exploratory calculation allows one to identify principal sources of statistical uncertainty in this calculation. The precision of our results is limited by the reconstruction of the physical contribution of the 𝜂 intermediate state, for which various strategies are tested and compared.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

Binary Stars in Upper Scorpius

To address the statistics of binary stars in the 8 Myr old Upper Scorpius (USco) star formation region, we conducted a speckle interferometric survey of 614 association members more massive than 0.4 M{sub ⊙} (spectral types earlier than M3V) based on the list of Luhman et al. (2018). We resolved 187 pairs, 55 of which are new discoveries. Also using the published data and the Gaia DR2, a catalog of 250 physical binaries was produced. We carefully estimated detection limits for each target and studied binary statistics in the separation range from 0.″06 to 20″ (9–2800 au), as well as clustering at larger separations. The frequency of companions with mass ratios q > 0.3 in this separation range is 0.33 ± 0.04 and 0.35 ± 0.04 for early M- and solar-type stars, respectively, larger by 1.62 ± 0.22 and 1.39 ± 0.18 times compared to field stars of similar masses. The excess is produced mostly by pairs closer than 100 au. At separations from 100 to 10{sup 4} au, the separation distribution and companion fraction resemble those of solar-type stars in the field. However, unlike in the field, we see a relative deficit of equal-mass binaries at separations of ∼500 au, compared to smaller and larger separations. The distribution of q depends on the separation, with a preference of larger q and a larger fraction of twins with q > 0.95 at smaller separations. The binary population of USco differs from binaries in the field in several ways and suggests that binary statistics is not universal.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

A new perspective on lone pair dynamics in halide perovskites

Halide perovskites form the foundation of an emerging class of materials for broad application in renewable and sustainable applications, including photocatalysis and solar energy harvesting. These materials exhibit beneficial photophysical properties, including bandgaps suitable for solar energy harvesting and efficient charge screening that underlies efficient charge carrier separation and resistance to defects. For organic–inorganic hybrid perovskites, these benefits are thought to arise, in part, from dipolar molecular cations that can reorient in response to charged particles and defects. In this work, we provide a similar perspective for inorganic metal halide perovskites, which do not contain molecular species with permanent dipoles. We discuss how lone pair electrons lead to dipolar ions that exhibit dynamics in analogy with traditional molecular plastic crystals and hybrid perovskites. We argue that further understanding these electronic plastic crystal motions with first principles simulations and synchrotron scattering can help create a basic understanding of photophysical properties of metal halide perovskites and inform the design of advanced functional materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Extreme waves in present and future climates using physics-based synthetic tropical cyclones in the Gulf of Mexico.

Historically, extreme waves have been the most destructive force in the Gulf of Mexico, destroying and damaging thousands of offshore structures. The American Petroleum Institute has revised its design criteria for offshore platforms several times over the decades, as new data continues to become available, showing that data for our present climate is insufficient. This problem is exacerbated in a changing climate. By using synthetic physics-based tropical cyclones to force a third-generation wave model, we can generate adequate statistics for present and future climates. These simulations have been completed using Joule Supercomputer.

Climate Change↗
DOE OSTI2020

Power of halometry

Astrometric weak gravitational lensing is a powerful probe of the distribution of matter on sub-Galactic scales, which harbor important information about the fundamental nature of dark matter. Here we propose a novel method that utilizes angular power spectra to search for the correlated pattern of apparent motions of celestial objects induced from time-dependent lensing by a population of Galactic subhalos. Application of this method to upcoming astrometric datasets will allow for the direct measurement of the properties of Galactic substructure, with implications for the underlying particle physics. We show that, with near-future astrometric observations, it may be possible to statistically detect populations of cold dark matter subhalos, compact objects, as well as density fluctuations sourced by scalar field dark matter. Currently unconstrained parameter space will already be accessible using upcoming data from the ongoing Gaia mission.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

An initial framework for the rapid qualification of long-term creep rupture strength via microstructural modeling

This report describes the development and testing of a new method for extrapolating short-term creep rupture test data to predict long-term rupture strength. The goal of this work is to reduce the time required to qualify new materials for nuclear service by reducing the lead time required for dedicated, long-term material testing to establish key long-term material properties. The new approach described here uses a physics-based model to predict the long-term creep rupture strength of 316H stainless steel using only short-term test data. The key idea is to use Bayesian inference to find the statistical distribution of the model parameters that best explain the short-term rupture data. Because the model is physics-based these parameters are all microstructural quantities that can be measured through detailed material characterization experiments. The Bayesian prior distributions provide a means for incorporating this characterization data into the final model to improve the accuracy of the long-term model predictions. However, where such data is not available the process still produces an accurate model based on an uniformed prior. Our hypothesis is that this approach more accurately extrapolates the short-term test data when compared to current, empirical methods. The report proves this hypothesis using actual long-term rupture data available for 316H, including tests with rupture times greater than 200,000 hours. The general approach developed here could be applied to other materials and other time-dependent material properties. Applying this new technique to develop long-term qualified material properties, potentially in conjunction with other accelerated qualification approaches like staggered qualification test programs, could greatly reduce the time required to qualify new materials for nuclear service.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

An Analysis of the Statistics and Systematics of Limb Anomaly Detections in HST/STIS Transit Images of Europa

Several recent studies derived the existence of plumes on Jupiter’s moon Europa. The only technique that provided multiple detections is the far-ultraviolet imaging observations of Europa in transit of Jupiter taken by the Space Telescope Imaging Spectrograph (STIS) on the Hubble Space Telescope (HST). In this study, we reanalyze the three HST/STIS transit images in which Sparks et al. identified limb anomalies as evidence for Europa’s plume activity. After reproducing the results of Sparks et al., we find that positive outliers are similarly present in the images as the negative outliers that were attributed to plume absorption. A physical explanation for the positive outliers is missing. We then investigate the systematic uncertainties and statistics in the images and identify two factors that are crucial when searching for anomalies around the limb. One factor is the alignment between the actual and assumed locations of Europa on the detector. A misalignment introduces distorted statistics, most strongly affecting the limb above the darker trailing hemisphere where the plumes were detected. The second factor is a discrepancy between the observation and the model used for comparison, adding uncertainty in the statistics. When accounting for these two factors, the limb minima (and maxima) are consistent with random statistical occurrence in a sample size given by the number of pixels in the analyzed limb region. The plume candidate features in the three analyzed images can be explained by purely statistical fluctuations and do not provide evidence for absorption by plumes.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Explainable and trustworthy artificial intelligence for correctable modeling in chemical sciences

Data science has primarily focused on big data, but for many physics, chemistry, and engineering applications, data are often small, correlated and, thus, low dimensional, and sourced from both computations and experiments with various levels of noise. Typical statistics and machine learning methods do not work for these cases. Expert knowledge is essential, but a systematic framework for incorporating it into physics-based models under uncertainty is lacking. Here, we develop a mathematical and computational framework for probabilistic artificial intelligence (AI)–based predictive modeling combining data, expert knowledge, multiscale models, and information theory through uncertainty quantification and probabilistic graphical models (PGMs). We apply PGMs to chemistry specifically and develop predictive guarantees for PGMs generally. Our proposed framework, combining AI and uncertainty quantification, provides explainable results leading to correctable and, eventually, trustworthy models. The proposed framework is demonstrated on a microkinetic model of the oxygen reduction reaction.

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

Investigation of the Self-Assembly Behavior of Statistical Bottlebrush Copolymers via Self-Consistent Field Theory Simulations

Bottlebrush copolymers, a class of high-density side-chain-grafted copolymers with high molecular weights, have recently attracted extensive research attention due to the dramatic reduction of chain entanglement in these copolymers, unique self-assembly behaviors, and distinctive physical properties. In this study, we employ self-consistent field theory simulations to systemically investigate the phase behavior of statistical bottlebrush copolymers A-stat-B, an intriguing subclass of bottlebrush copolymers with random or alternating sequences of A and B side chains. We find that a broader variety of ordered mesophases can be stabilized in the melts of these copolymers relative to the more extensively studied bottlebrush block copolymers. In particular, we observe that these statistical copolymers can stabilize sphere phases over a larger range of species volume fractions than their diblock and tetrablock counterparts but require much higher segregation strength to achieve this. The sphere and hexagonally packed cylinder phases formed by conformationally symmetric statistical bottlebrush copolymers possess interesting discrete core–shell structures with the backbone and lower volume fraction side-chain species forming shells and cores, respectively. Moreover, we uncover a new strategy of stabilizing the Frank–Kasper phase A15 by introducing conformational asymmetry through different side-chain lengths and also observe deflection of order–order phase boundaries and significant mixing between the backbones and short side chains as conformational asymmetry is introduced.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Understanding protein-complex assembly through grand canonical maximum entropy modeling

Inside a cell, heterotypic proteins assemble in inhomogeneous, crowded systems where the abundance of these proteins vary with cell types. While some protein complexes form putative structures that can be visualized with imaging, there are far more protein complexes that are yet to be solved because of their dynamic associations with one another. Nevertheless, it is possible to infer these protein complexes through a physical model. However, it is often not clear to physicists what kind of data from biology is necessary for such a modeling endeavor. Here, we aim to model these clusters of coarse-grained protein assemblies from multiple subunits through the constraints of interactions among the subunits and the chemical potential of each subunit. We obtained the constraints on the interactions among subunits from the known protein structures. We inferred the chemical potential that dictates the particle number distribution of each protein subunit from the knowledge of protein abundance from experimental data. Guided by the maximum entropy principle, we formulated an inverse statistical mechanical method to infer the distribution of particle numbers from the data of protein abundance as chemical potentials for a grand canonical multicomponent mixture. Using grand canonical Monte Carlo simulations, we captured a distribution of high-order clusters in a protein complex of succinate dehydrogenase with four known subunits. The complexity of hierarchical clusters varies with the relative protein abundance of each subunit in distinctive cell types such as lung, heart, and brain. When the crowding content increases, we observed that crowding stabilizes emergent clusters that do not exist in dilute conditions. We, therefore, proposed a testable hypothesis that the hierarchical complexity of protein clusters on a molecular scale is a plausible biomarker of predicting the phenotypes of a cell.

59 BASIC BIOLOGICAL SCIENCES↗