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DOE OSTI2021

Dark Energy Survey Year 3 Results: Multi-Probe Modeling Strategy and Validation

This paper details the modeling pipeline and validates the baseline analysis choices of the DES Year 3 joint analysis of galaxy clustering and weak lensing (a so-called "3$\times$2pt" analysis). These analysis choices include the specific combination of cosmological probes, priors on cosmological and systematics parameters, model parameterizations for systematic effects and related approximations, and angular scales where the model assumptions are validated. We run a large number of simulated likelihood analyses using synthetic data vectors to test the robustness of our baseline analysis. We demonstrate that the DES Year 3 modeling pipeline, including the calibrated scale cuts, is sufficiently accurate relative to the constraining power of the DES Year 3 analyses. Our systematics mitigation strategy accounts for astrophysical systematics, such as galaxy bias, intrinsic alignments, source and lens magnification, baryonic effects, and source clustering, as well as for uncertainties in modeling the matter power spectrum, reduced shear, and estimator effects. We further demonstrate excellent agreement between two independently-developed modeling pipelines, and thus rule out any residual uncertainties due to the numerical implementation.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Proton Scattering in NOvA Test Beam

The NuMI Off-axis $\nu_e$ Appearance (NOvA) experiment is a two-detector, long baseline, neutrino oscillation experiment, which aims to make a determination of the neutrino mass ordering, the octant of $\theta_{23}$, and measure possible charge-parity (CP) violation. Determining these parameters is a step towards answering some of the fundamental questions about neutrinos. Are neutrinos their own antiparticle? Could neutrinos be responsible for the matter-antimatter asymmetry of the universe? How do neutrinos get their mass? Answering these questions requires precise measurements of the parameters that govern how neutrinos behave, namely the mass squared splittings, mixing angles, and possible CP-violating phase factor in the PNMS matrix. Reaching high precision requires minimizing both statistical and systematic errors. As NOvA continues to accumulate data, the sizes of our statistical errors continue to shrink such that in a couple of years they will be comparable to our systematic errors. NOvA's current systematic errors are dominated by energy and calibration uncertainties. The Test Beam program was initiated to address these uncertainties by assessing the detector response in an environment where more parameters of the incoming particles are known. One of the main goals of the Test Beam program is to garner a better understanding of our systematic errors, particularly in energy measurement and detector response, so that the modeling of these parameters can be improved. I studied protons in the Test Beam Detector with momenta around \unit[1]{GeV/c}, the high end of the momentum range relevant to quasielastic neutrino interactions in NOvA. One question this sample can help to answer is if we correctly simulate the fraction of protons that have an inelastic scattering interaction versus ranging out. If protons inelastically scatter at different rates in our simulation and data, the correction applied to the hadronic system when reconstructing neutrino energy could be inaccurate, since events with inelastic scattering will have less visible energy in the detector. This is particularly important for quasielastic $\nu_\mu$ events, which have the lowest hadronic energy resolution, and therefore give us our best measurements of $\Delta m_{32}^2$ and $\theta_{23}$.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Measuring the neutrino-oxygen neutral current quasielastic cross section using the accelerator neutrino neutron interaction experiment

The Accelerator Neutrino Neutron Interaction Experiment (ANNIE) is a 26-ton gadolinium-doped water Cherenkov detector located on-axis to Fermilab’s Booster Neutrino Beam (BNB). ANNIE is uniquely positioned to perform high-statistics measurements of neutrino-nucleus interactions in water, benefiting from a large neutrino flux due to a short (100-meter) baseline. A central focus of ANNIE’s physics program is the measurement of both charged current (CC) and neutral current (NC) cross sections on water, including neutral current quasielastic (NCQE) and CC-inclusive channels. The NCQE measurement is particularly critical for constraining uncertainties in rare-event searches such as the Diffuse Supernova Neutrino Background (DSNB), where atmospheric $\nu$NCQE interactions constitute a significant and poorly constrained background. This dissertation presents a measurement of the flux-averaged neutrino-oxygen neutral current quasielastic ($\nu$NCQE) cross section using $2.573 \times 10^{20}$~POT of BNB exposure from the 2022 and 2023 beam years. The $\nu$NCQE interaction is identified through the primary $\gamma$-rays produced by nuclear de-excitation of the residual $^{15}$N$^*$ or $^{15}$O$^*$ nucleus following nucleon knockout from $^{16}$O. A dedicated Monte Carlo (MC) re-tuning campaign was conducted using an americium-beryllium (AmBe) calibration source, Michel electrons from stopped muons, and throughgoing dirt muons originating upstream of the detector. This multi-sample approach provided a wide-ranging $\mathcal{O}(\text{MeV})$--$\mathcal{O}(\text{GeV})$ dataset for tuning the simulated detector response, which was subsequently validated against AmBe neutron and Michel electron data for use in the $\nu$NCQE analysis. A dedicated laser calibration campaign was carried out to reduce timing uncertainties across the PMT system, enabling reconstruction of the BNB bunch substructure with sufficient resolution to serve as a background rejection tool. By selecting events in-time with individual neutrino bunches, beam-correlated $\nu$NCQE events are separated from diffuse and accelerator-induced backgrounds, notably skyshine neutrons and externally-originating events, that would otherwise dominate traditional charge-based selections within a small-scale, surface-level, short-baseline detector. A data-driven estimation of the skyshine neutron and external background rates was performed and incorporated into the systematic uncertainty budget. The flux-averaged $\nu$NCQE cross section on oxygen is measured to be $1.57 \pm 0.06\,(\text{stat.})$ $^{+0.91}_{-0.67}\,(\text{syst.})$ $\times 10^{-38}\ \text{cm}^{2}$. A full systematic budget is constructed by propagating uncertainties in the secondary hadronic interaction modeling, background cross section normalizations, detector response, neutrino flux, and the primary $\gamma$-ray emission probabilities from oxygen nuclear de-excitation. An idealized de-excitation model, constructed from existing measurements in the literature is developed to benchmark the predictions of the \textsc{GENIE} event generator. A comparison reveals that \textsc{GENIE} systematically overpredicts the primary $\gamma$-ray emission probability from oxygen de-excitation by a factor of $1.49\times$ for $E_\gamma > 6$~MeV and $3.07\times$ in the $3$--$6$~MeV band. This comparison motivates the dominant systematic uncertainty in this analysis, where a conservative uncertainty of $^{+39.9\%}_{-0\%}$ on the primary $\gamma$-ray signal prediction is assigned. The ANNIE result is consistent with and complementary to existing flux-averaged $\nu$NCQE cross section measurements from T2K and Super-Kamiokande, providing an independent measurement with a different detector, neutrino beam, and analysis methodology. Looking ahead, an upgrade to the ANNIE DAQ infrastructure enabling continuous extended readout will allow a complementary $\nu$NCQE neutron multiplicity measurement, directly relevant to constraining the NCQE background in DSNB searches, competitive with the recent T2K measurement at SK-Gd. The planned Super-SANDI upgrade, deploying a large Water-based Liquid Scintillator (WbLS) volume, will further extend ANNIE's reach to hadronic final states and exclusive NC channels, and enable joint measurements with liquid argon detectors sharing the BNB beamline ahead of DUNE and Hyper-Kamiokande.

Doran, Steven [Iowa State U.]↗

DOE OSTI2022

The impact of detection rate changes and correlations on random-coincidence background measurements

Coincidence detection of multiple particles emitted during an experiment can yield a new depth of understanding of the underlying process under study. However, the probability of detecting particles that are generated from the same physical event within a given coincidence time window is generally much lower than that of detecting particles that appear in the same coincidence time window, but were not created from the same physical event, and are therefore detected randomly in coincidence with each other. Thus, accurate and precise methods of measuring this random-coincidence background are essential for a wide variety of fields of science. A method to determine this background directly using the data themselves without any additional experimental run time or fake signals introduced in the data was recently established (O’Donnell, 2016). This method yields a statistical uncertainty on the random-coincidence background that is orders of magnitude smaller than that of the true coincidence data, though the potential for systematic errors of backgrounds from this method was never explored. In this work, we discuss common varieties of correlated and uncorrelated changes in the detection rates of each particle detected in an experiment. Here we demonstrate here that a correlation between particle detection rates from, for example, an incident particle beam that initiates a physical process of interest, creates systematic errors in the random-coincidence background measurement. We also discuss the impact of a variety of other realistic scenarios for rate changes in experiments. Lastly, a method is introduced to correct for errors in the random-coincidence background from any source, yielding an optimization between statistical precision and eliminating potential lingering systematic errors.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS2014

Angular and Polarization Response of Multimode Sensors with Resistive-Grid Absorbers

High sensitivity receiver systems with near ideal polarization sensitivity are highly desirable for development of millimeter and sub-millimeter radio astronomy. Multimoded bolometers provide a unique solution to achieve such sensitivity, for which hundreds of single-mode sensors would otherwise be required. The primary concern in employing such multimoded sensors for polarimetery is the control of the polarization systematics. In this paper, we examine the angular- and polarization- dependent absorption pattern of a thin resistive grid or membrane, which models an absorber used for a multimoded bolometer. The result shows that a freestanding thin resistive absorber with a surface resistivity of eta/2, where eta is the impedance of free space, attains a beam pattern with equal E- and H-plane responses, leading to zero cross polarization. For a resistive-grid absorber, the condition is met when a pair of grids is positioned orthogonal to each other and both have a resistivity of eta/2. When a reflective backshort termination is employed to improve absorption efficiency, the cross-polar level can be suppressed below −30 dB if acceptance angle of the sensor is limited to < or approx. 60deg. The small cross-polar systematics have even-parity patterns and do not contaminate the measurements of odd-parity polarization patterns, for which many of recent instruments for cosmic microwave background are designed. Underlying symmetry that suppresses these cross-polar systematics is discussed in detail. The estimates and formalism provided in this paper offer key tools in the design consideration of the instruments using the multimoded polarimeters.

High sensitivity receiver systems↗

NASA NTRS2019

Uncertainty Analysis of the CE-22 Advanced Nozzle Test Facility

This paper presents methods and results of a detailed measurement uncertainty analysis that was performed for the Advanced Nozzle Test Facility, CE-22, located at the NASA Glenn Research Center. Results for the uncertainty in thrust and flow coefficients, in addition to other variables of interest, are provided. Results are presented separately as random uncertainty (characterizing errors inherent to instrument or measurement environment, impacting repeatability), systematic uncertainty (capturing inaccuracies due to measurement process, calibration, installation effects or other sources which may introduce bias), and total combined uncertainty. The statistical methods and engineering judgments used to estimate elemental uncertainties are described. The analysis tool MANTUS (Measurement Analysis Tool for Uncertainty in Systems) was used to quantify instrumentation system uncertainty, and statistical analysis and engineering judgment were used to quantify other random and systematic uncertainty sources. The Monte Carlo method was used to propagate systematic and random elemental uncertainties to determine the uncertainties of various calculated variables of interest.

data quality↗

DOE OSTI2025

Developing Digital Twin Visualizations: A Methodology and Case Study on Chemical Separation Processing

As advances in digital engineering continue to push the technological boundaries, digital twin (DT) visualizations for diagnostics and safeguards advancement become much more feasible and practical. DTs generate large and complex data streams that require effective user interfaces to provide monitoring and diagnostic capabilities. Unfortunately, while these frameworks exist, there is not much research on the systematic documentation of human–computer interaction (HCI) for DT visualization. This work presents a dual-mode visualization methodology (two dimensional [2D] graphical user interface dashboard and 3D mixed reality) designed to support diagnostic tasks in DT systems and building on a validated framework and applying established HCI principles. The methodology is demonstrated through a case study of aqueous processing at Idaho National Laboratory, using experimental data from the chemical solvent extraction runs. Our interfaces display real-time alerts and monitoring to inform users of safeguards anomalies. The interfaces use immersive 3D mixed-reality visualization for further system and experiment investigation. This work demonstrates how the systematic application of HCI principles can inform DT visualization design for diagnostic and safeguards applications. While formal user evaluation studies remain as future work, this paper documents the systematic design methodology and demonstrates a proof-of-concept implementation.

3D visualization↗

DOE OSTI2021

Measurements of branching fractions and asymmetry parameters of $ {\Xi}_c^0\to \Lambda {\overline{K}}^{\ast 0} $, $ {\Xi}_c^0\to {\Sigma}^0{\overline{K}}^{\ast 0} $, and $ {\Xi}_c^0\to {\Sigma}^{+}{K}^{\ast -} $ decays at Belle

Using a data sample of 980 fb -1 collected with the Belle detector at the KEKB asymmetric-energy e + e - collider, we study the processes of ${\Xi}_c^0\to \Lambda {\overline{K}}^{\ast 0}$, ${\Xi}_c^0\to {\Sigma}^0{\overline{K}}^{\ast 0}$, and ${\Xi}_c^0\to {\Sigma}^{+}{K}^{\ast -}$ for the first time. The relative branching ratios to the normalization mode of ${\Xi}_c^0\to {\Xi}^{-}{\pi}^{+}$ are measured to be ${\displaystyle \begin{array}{c}\mathcal{B}\left({\Xi}_c^0\to \Lambda {\overline{K}}^{\ast 0}\right)/\mathcal{B}\left({\Xi}_c^0\to {\Xi}^{-}{\pi}^{+}\right)=0.18\pm 0.02\left(\mathrm{stat}.\right)\pm 0.01\left(\mathrm{syst}.\right),\\ {}\mathcal{B}\left({\Xi}_c^0\to {\Sigma}^0{\overline{K}}^{\ast 0}\right)/\mathcal{B}\left({\Xi}_c^0\to {\Xi}^{-}{\pi}^{+}\right)=0.69\pm 0.03\left(\mathrm{stat}.\right)\pm 0.03\left(\mathrm{syst}.\right),\\ {}\mathcal{B}\left({\Xi}_c^0\to {\Sigma}^{+}{K}^{\ast -}\right)/\mathcal{B}\left({\Xi}_c^0\to {\Xi}^{-}{\pi}^{+}\right)=0.34\pm 0.06\left(\mathrm{stat}.\right)\pm 0.02\left(\mathrm{syst}.\right),\end{array}}$ where the uncertainties are statistical and systematic, respectively. We obtain ${\displaystyle \begin{array}{c}\mathcal{B}\left({\Xi}_c^0\to \Lambda {\overline{K}}^{\ast 0}\right)=\left(3.3\pm 0.3\left(\mathrm{stat}.\right)\pm 0.2\left(\mathrm{syst}.\right)\pm 1.0\left(\mathrm{ref}.\right)\right)\times {10}^{-3},\\ {}\mathcal{B}\left({\Xi}_c^0\to {\Sigma}^0{\overline{K}}^{\ast 0}\right)=\left(12.4\pm 0.5\left(\mathrm{stat}.\right)\pm 0.5\left(\mathrm{syst}.\right)\pm 3.6\left(\mathrm{ref}.\right)\right)\times {10}^{-3},\\ {}\mathcal{B}\left({\Xi}_c^0\to {\Sigma}^{+}{K}^{\ast 0}\right)=\left(6.1\pm 1.0\left(\mathrm{stat}.\right)\pm 0.4\left(\mathrm{syst}.\right)\pm 1.8\left(\mathrm{ref}.\right)\right)\times {10}^{-3},\end{array}}$ where the uncertainties are statistical, systematic, and from $\mathcal{B}\left({\Xi}_c^0\to {\Xi}^{-}{\pi}^{+}\right)$, respectively. The asymmetry parameters $\alpha \left({\Xi}_c^0\to \Lambda {\overline{K}}^{\ast 0}\right)$ and $\alpha \left({\Xi}_c^0\to {\Sigma}^{+}{K}^{\ast -}\right)$ are 0.15 ± 0.22(stat.) ± 0.04(syst.) and -0.52 ± 0.30(stat.) ± 0.02(syst.), respectively, where the uncertainties are statistical followed by systematic.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

The continuum and leading twist limits of parton distribution functions in lattice QCD

In this study, we present continuum limit results for the unpolarized parton distribution function of the nucleon computed in lattice QCD. This study is the first continuum limit using the pseudo-PDF approach with Short Distance Factorization for factorizing lattice QCD calculable matrix elements. Our findings are also compared with the pertinent phenomenological determinations. Inter alia, we are employing the summation Generalized Eigenvalue Problem (sGEVP) technique in order to optimize our control over the excited state contamination which can be one of the most serious systematic errors in this type of calculations. A crucial novel ingredient of our analysis is the parameterization of systematic errors using Jacobi polynomials to characterize and remove both lattice spacing and higher twist contaminations, as well as the leading twist distribution. This method can be expanded in further studies to remove all other systematic errors.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

Unveiling the Universe with emerging cosmological probes

The detection of the accelerated expansion of the Universe has been one of the major breakthroughs in modern cosmology. Several cosmological probes (Cosmic Microwave Background, Supernovae Type Ia, Baryon Acoustic Oscillations) have been studied in depth to better understand the nature of the mechanism driving this acceleration, and they are being currently pushed to their limits, obtaining remarkable constraints that allowed us to shape the standard cosmological model. In parallel to that, however, the percent precision achieved has recently revealed apparent tensions between measurements obtained from different methods. These are either indicating some unaccounted systematic effects, or are pointing toward new physics. Following the development of CMB, SNe, and BAO cosmology, it is critical to extend our selection of cosmological probes. Novel probes can be exploited to validate results, control or mitigate systematic effects, and, most importantly, to increase the accuracy and robustness of our results. This review is meant to provide a state-of-art benchmark of the latest advances in emerging “beyond-standard” cosmological probes. We present how several different methods can become a key resource for observational cosmology. In particular, we review cosmic chronometers, quasars, gamma-ray bursts, standard sirens, lensing time-delay with galaxies and clusters, cosmic voids, neutral hydrogen intensity mapping, surface brightness fluctuations, stellar ages of the oldest objects, secular redshift drift, and clustering of standard candles. The review describes the method, systematics, and results of each probe in a homogeneous way, giving the reader a clear picture of the available innovative methods that have been introduced in recent years and how to apply them. The review also discusses the potential synergies and complementarities between the various probes, exploring how they will contribute to the future of modern cosmology.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Data-driven building energy modeling with feature selection and active learning for data predictive control

Three gaps impede the development of cost-effective and accurate data-driven building energy modeling/models (DBEM) for energy forecasting and predictive control strategies. Gap 1: data bias is common in building operation data, but this topic is hardly studied in DBEM; Gap 2: high data dimensionality is common in DBEM, but a systematic and scalable methodology is lacking to solve the problem; Gap 3: the interactions between data bias and high dimensionality have not been systematically studied for DBEM and predictive control in buildings. In this work, to address the three gaps mentioned above, we develop a framework that integrates active learning and feature selection for DBEM used for whole building data predictive control (or DPC, which is a branch of model predictive control). The framework provides a systematic methodology and automatic workflow that starts with raw data from building automation systems to the establishment of data-driven energy models for DPC controllers. The developed strategies and framework are evaluated in a virtual testbed based on EnergyPlus and BCVTB. Improved performance and reduced computational complexity are observed from the DBEM built with the developed framework, as well as the DPC controller based on that DBEM, indicating the effectiveness of the developed framework.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Chronology of ungrouped achondrites Northwest Africa 11119 and 7325/8486: implications for early evolution of a heterogeneous crust on a differentiated planetesimal

The chronology of ungrouped achondrites provides key insights into the timeline of igneous activity in the early Solar System. Two ungrouped achondrites – Northwest Africa (NWA) 11119 (andesite-dacite) and NWA 8486 and its pair NWA 7325 (olivine gabbro) – are the focus of this study, where their chronologies are investigated using multiple high-resolution techniques. Here we report the lead-lead (207Pb-206Pb) and manganese-chromium (53Mn-53Cr) systematics of NWA 11119, as well as the 207Pb-206Pb systematics of NWA 8486 alongside aluminum-magnesium (26Al-26Mg) systematics for NWA 7325. The U-corrected 207Pb-206Pb ages of NWA 11119 and the combined ages of NWA 7325/8486 are 4566.4 ± 0.8 Ma and 4563.8 ± 1.9 Ma, respectively. Additionally, we report the 53Mn-53Cr age of NWA 11119 to be 4564.4 ± 2.5 Ma and the 26Al-26Mg age of NWA 7325/8486 to be 4563.1 ± 0.3 Ma. The formation of NWA 11119 requires partial melting of a (likely chondritic) source reservoir leading to eruption of Si rich, alkali depleted magmas, while NWA 7325/8486 likely formed from a chemically fractionated reservoir with superchondritic Al/Mg. The clear geochemical and isotopic similarities of these achondrites, combined with the chronology reported here, is suggestive of formation of these two ungrouped achondrites on a common parent body which likely formed in the inner Solar System and experienced early differentiation under reducing conditions. If these achondrites did share a parent body, it would suggest that primary asteroids in the early Solar System commonly produced mineralogically and geochemically heterogeneous crusts. While mineralogical and geochemical heterogeneity is known to exist in the (mostly mafic) crust of asteroid Vesta, our findings show that even more significant crustal heterogeneity (representing felsic and mafic compositions) may exist on other asteroids.

Cartwright, Julia [University of Leicester, UK]↗

DOE OSTI2021

Sensitivity of the active neutron coincidence collar response during simulated and experimental fresh fuel assay

Verification of the fissile (and fertile) content in fresh nuclear fuel assemblies is conducted by the IAEA to enforce the Nuclear Non-Proliferation Treaty using the UNCL (Uranium Neutron Collar — Light Water Reactor Fuel). The UNCL uses an uncorrelated AmLi neutron source to interrogate the fuel, producing a signal of coincident fission neutrons (Doubles rate) used to assay 235 U content of the fuel. The cost of producing calibration assemblies and limited availability of diverse commercial assemblies at any one time historically restricted the ability to explore the full parameter space experimentally. Monte Carlo simulations can overcome this, but introduce additional sources of uncertainty. In this work, the sensitivity of simulations and measurements to various parameters is assessed for a reference 1616 PWR assembly of uniform 3.2% enrichment. Uncertainty contributions in this evaluation include: simulated AmLi neutron source spectrum, AmLi neutron emission rate, AmLi anisotropicity, high density polyethylene (HDPE) density, the precise position of the fuel assembly within the detector, and experimentally the statistical uncertainty. The overall total systematic uncertainty estimate for the simulation of the absolute/relative Doubles rates responses are estimated to be approximately 2.0%/1.5%, and for experimental measurements systematic uncertainty reduces to 1.1%. This analysis supports further work using the relative Doubles rates in place of measurements for updating and extending the UNCL analysis methodology as systematic uncertainty is reasonably small.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2021

Errors introduced in fission neutron spectrum measurements using a single reference

Measurements of physical quantities are often made relative to a reference quantity, simplifying the interpretation of the measurement and its uncertainties. However, if applied without careful considerations, this technique can carry with it a significant and complex systematic error that is usually ignored. For example, measurements of continuous neutron spectra relative to a reference spectrum yield a result that does not properly include the important effects of neutron scattering in the experimental environment. These effects act to distort the measured spectrum shape and create notable errors in spectrum-integrated quantities. While this effect is one of a series of known potential sources of systematic error including, but not limited to target impurities, angular distributions, incident beam flux, and others, the error introduced from differences in environmental scattering effects between the reference and desired spectra are frequently overlooked. In this work, we demonstrate the origin of this error using simulated data corresponding to measurements of the neutron-induced prompt fission neutron spectra of 233 U, 235 U, 238 U, and 239 Pu as well as the spontaneous fission neutron spectrum of 252 Cf. Errors in the spectrum shape can be as high as 10%–15% depending on the combination of incident and outgoing neutron energy. The spectrum integral and average spectrum energy also contain errors that change with incident neutron energy and can be as high as ~2%. Although this study is based on simulated data, we also show a method for proving that this error exists in an experimental data set and we show a correction that can be applied to results of this type to obtain a more accurate result, thereby largely removing systematic errors from environmental scattering effects. The potential for these kinds of errors should be considered in measurements producing continuous neutron spectra.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Accurate determination of the electron spin polarization in magnetized iron and nickel foils for Møller polarimetry

The Møller polarimeter in Hall A at Jefferson Lab in Newport News, VA, has provided reliable measurements of electron beam polarization for the past two decades. Past experiments have typically required polarimetry at the 1% level of absolute uncertainty which the Møller polarimeter has delivered. However, the upcoming proposed experimental program including MOLLER and SoLID have stringent requirements on beam polarimetry precision at the level of 0.4% (The MOLLER Collaboration, 2014; The SoLID collaboration, 2019), requiring a systematic re-examination of all the contributing uncertainties. Møller polarimetry uses the double polarized scattering asymmetry of a polarized electron beam on a target with polarized atomic electrons. The target is a ferromagnetic material magnetized to align the spins in a given direction. In Hall A, the target is a pure iron foil aligned perpendicular to the beam and magnetized out of plane parallel or antiparallel to the beam direction. The acceptance of the detector is engineered to collect scattered electrons close to 90° in the center of mass frame where the analyzing power is a maximum (-7/9). One of the leading systematic errors comes from determination of the target foil polarization. Polarization of a magnetically saturated target foil requires knowledge of both the saturation magnetization and g', the electron g-factor which includes components from both spin and orbital angular momentum from which the spin fraction of magnetization is determined. Target foil polarization has been previously addressed in a 1997 publication “A precise target for Møller polarimetry” by de Bever et al. (1997) at a level of precision sufficient for experiments up to this point. Several shortcomings with the previous published value require revisiting the result prior to MOLLER. Here, we utilize the existing world data to provide a best estimate for target polarization for both nickel and iron foils including uncertainties in magnetization, high-field and temperature dependence, and fractional contribution to magnetization from orbital effects. We determine the foil electron spin polarization at 294 K to be 0.08020 ± 0.00018 (@4 T applied field) for iron and 0.018845+/-0.000053 (@2 T applied field) for nickel. Finally, we conclude with a brief discussion of additional systematic uncertainties to Møller polarimetry using this technique.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2025

Characterization of the optical model of the T2K 3D segmented plastic scintillator detector unit cube

The magnetized near detector (ND280) of the T2K long-baseline neutrino oscillation experiment has been recently upgraded aiming to satisfy the requirement of reducing the systematic uncertainty from measuring the neutrino–nucleus interaction cross section, which is the largest systematic uncertainty in the search for leptonic charge-parity symmetry violation. A key component of the upgrade is SuperFGD, a 3D segmented plastic scintillator detector made of approximately 2,000,000 optically-isolated 1 cm 3 cubes. The SuperFGD cube unit shows promising optical performance, including a high light yield of about 40 photoelectrons (p.e.) per channel, a low cube-to-cube crosstalk rate below 3%, and a sub-nanosecond time resolution of 0.96 ns. By combining tracking and stopping power measurements of final state particles, this novel detector enables precise 3D-imaging of GeV neutrino interactions with reduced systematic uncertainties. A detailed Geant4 based optical simulation of the SuperFGD building block, i.e. a plastic scintillating cube read out by three wavelength shifting fibers, has been developed and validated with the different datasets collected in various beam tests. In this manuscript the description of the optical model as well as the comparison with data are reported.

Neutrino oscillations↗

DOE OSTI2022

Comprehensive Basis-Set Testing of Extended Symmetry-Adapted Perturbation Theory and Assessment of Mixed-Basis Combinations to Reduce Cost

Hybrid or “extended” symmetry-adapted perturbation theory (XSAPT) replaces traditional SAPT’s treatment of dispersion with better performing alternatives while at the same time extending two-body (dimer) SAPT to a many-body treatment of polarization using a self-consistent charge embedding procedure. The present work presents a systematic study of how XSAPT interaction energies and energy components converge with respect to the choice of Gaussian basis set. Errors can be reduced in a systematic way using correlation-consistent basis sets, with aug-cc-pVTZ results converged within <0.1 kcal/mol. Similar (if slightly less systematic) behavior is obtained using Karlsruhe basis sets at much lower cost, and we introduce new versions with limited augmentation that are even more efficient. Pople-style basis sets, which are more efficient still, often afford good results if a large number of polarization functions are included. The dispersion models used in XSAPT afford much faster basis-set convergence as compared to the perturbative description of dispersion in conventional SAPT, meaning that “compromise” basis sets (such as jun-cc-pVDZ) are no longer required and benchmark-quality results can be obtained using triple-ζ basis sets. The use of diffuse functions proves to be essential, especially for the description of hydrogen bonds. As a result, the “δ(Hartree–Fock)” correction for high-order induction can be performed in double-ζ basis sets without significant loss of accuracy, leading to a mixed-basis approach that offers 4× speedup over the existing (cubic scaling) XSAPT approach.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

Disentangling Electronic Transport and Hysteresis at Individual Grain Boundaries in Hybrid Perovskites via Automated Scanning Probe Microscopy

Underlying the rapidly increasing photovoltaic efficiency and stability of metal halide perovskites (MHPs) is the advancement in the understanding of the microstructure of polycrystalline MHP thin film. Over the past decade, intense efforts have been aimed at understanding the effect of microstructures on MHP properties, including chemical heterogeneity, strain disorder, phase impurity, etc. It has been found that grain and grain boundary (GB) are tightly related to lots of microscale and nanoscale behavior in MHP thin films. Atomic force microscopy (AFM) is widely used to observe grain and boundary structures in topography and subsequently to study the correlative surface potential and conductivity of these structures. For now, most AFM measurements have been performed in imaging mode to study the static behavior; in contrast, AFM spectroscopy mode allows us to investigate the dynamic behavior of materials, e.g., conductivity under sweeping voltage. However, a major limitation of AFM spectroscopy measurements is that they require manual operation by human operators, and as such only limited data can be obtained, hindering systematic investigations of these microstructures. Here, we designed a workflow combining the conductive AFM measurement with a machine learning (ML) algorithm to systematically investigate grain boundaries in MHPs. The trained ML model can extract GBs locations from the topography image, and the workflow drives the AFM probe to each GB location to perform a current–voltage (IV) curve automatically. Then, we are able to have IV curves at all GB locations, allowing us to systematically understand the property of GBs. Using this method, we discovered that the GB junction points are less conductive, potentially more photoactive, and can play critical roles in MHP stability, while most previous works only focused on the difference between GB and grains.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗