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DOE OSTI2017

Beam-target double-spin asymmetry in quasielastic electron scattering off the deuteron with CLAS

The deuteron plays a pivotal role in nuclear and hadronic physics, as both the simplest bound multinucleon system and as an effective neutron target. Quasielastic electron scattering on the deuteron is a benchmark reaction to test our understanding of deuteron structure and the properties and interactions of the two nucleons bound in the deuteron. The experimental data presented here can be used to test state-of-the-art models of the deuteron and the two-nucleon interaction in the final state after two-body breakup of the deuteron. Focusing on polarization degrees of freedom, we gain information on spin-momentum correlations in the deuteron ground state (due to the D-state admixture) and on the limits of the impulse approximation (IA) picture as it applies to measurements of spin-dependent observables like spin structure functions for bound nucleons. Information on this reaction can also be used to reduce systematic uncertainties on the determination of neutron form factors or deuteron polarization through quasielastic polarized electron scattering. Furthermore, we measured the beam-target double-spin asymmetry (A || ) for quasielastic electron scattering off the deuteron at several beam energies (1.6–1.7, 2.5, 4.2, and 5.6–5.8GeV), using the CEBAF Large Acceptance Spectrometer (CLAS) at the Thomas Jefferson National Accelerator Facility. The deuterons were polarized along (or opposite to) the beam direction. The double-spin asymmetries were measured as a function of photon virtuality Q 2 (0.13–3.17(GeV/c) 2 ), missing momentum (p m =0.0–0.5GeV/c), and the angle between the (inferred) spectator neutron and the momentum transfer direction (θ nq ). We compare our results with a recent model that includes final-state interactions (FSI) using a complete parametrization of nucleon-nucleon scattering, as well as a simplified model using the plane wave impulse approximation (PWIA). We find overall good agreement with both the PWIA and FSI expectations at low to medium missing momenta (p m ≤0.25GeV/c), including the change of the asymmetry due to the contribution of the deuteron D state at higher momenta. At the highest missing momenta, our data clearly agree better with the calculations including FSI. Final-state interactions seem to play a lesser role for polarization observables in deuteron two-body electrodisintegration than for absolute cross sections. Our data, while limited in statistical power, indicate that PWIA models work reasonably well to understand the asymmetries at lower missing momenta. In turn, this information can be used to extract the product of beam and target polarization (P b P t ) from quasielastic electron-deuteron scattering, which is useful for measurements of spin observables in electron-neutron inelastic scattering. But, at the highest missing (neutron) momenta, FSI effects become important and must be accounted for.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2017

Phonon scattering mechanisms dictating the thermal conductivity of lead zirconate titanate (PbZr 1- x Ti x O 3 ) thin films across the compositional phase diagram

This paper represents a thorough investigation of the thermal conductivity (κ) in both thin film and bulk PbZr 1–x Ti x O 3 (PZT) across the compositional phase diagram. Given the technological importance of PZT as a superb piezoelectric and ferroelectric material in devices and systems impacting a wide array of industries, this research serves to fill the gap in knowledge regarding the thermal properties. The thermal conductivities of both thin film and bulk PZT are found to vary by a considerable margin as a function of composition x. Additionally, we observe a discontinuity in κ in the vicinity of the morphotropic phase boundary (MPB, x = 0.48) where there is a 20%–25% decrease in κ in our thin film data, similar to that found in literature data for bulk PZT. The comparison between bulk and thin film materials highlights the sensitivity of κ to size effects such as film thickness and grain size even in disordered alloy/solid-solution materials. A model for the thermal conductivity of PZT as a function of composition (κ(x)) is presented, which enables the application of the virtual crystal approximation for alloy-type material systems with very different crystals structures, resulting in differing temperature trends for κ. We show that in the case of crystalline solid-solutions where the thermal conductivity of one of the parent materials exhibits glass-like temperature trends the compositional dependence of thermal conductivity is relatively constant for most values of x. Finally, this is in stark contrast with the typical trends of thermal conductivity with x in alloys, where the thermal conductivity increases dramatically as the composition of the alloy or solid-solution approaches that of a pure parent materials (i.e., as x = 0 or 1).

36 MATERIALS SCIENCE↗

DOE OSTI2018

AmeriFlux US-OWC Old Woman Creek

This is the AmeriFlux version of the carbon flux data for the site US-OWC Old Woman Creek. Site Description - Old Woman Creek is a natural freshwater estuary connected to Lake Erie in northern Ohio. It is one of few natuaral estuary systems left in Ohio. The site is permanently flooded and contains a mixture of wetland vegetation, open water, and mud flats. VIrtual Site Visit: https://youtu.be/Tju8nc8J3H0

Bohrer, Gil↗

DOE OSTI2017

Parallel Asynchronous Distributed-Memory Maximal Independent Set Algorithm with Work Ordering

The maximal independent set (MIS) graph problem arises in many applications such as computer vision, information theory, molecular biology, and process scheduling. The growing scale of graph data suggests the use of distributed memory hardware as a cost-effective approach to providing necessary compute and memory resources. Existing distributed memory parallel MIS algorithms rely on synchronous communication and use techniques such as subgraph computations. In this paper, we present an asynchronous distributed-memory parallel graph algorithm that relies on a virtual directed acyclic graph (DAG) that is created during the algorithm execution. We introduce two additional algorithms that save computations by ordering generated work. The first algorithm applies ordering globally to reduce computations, and the second algorithm applies ordering locally at the level of threads to minimize the synchronization overhead. We use two different implementations of Luby’s algorithm variants as baseline to compare the performance of the presented algorithms: (1) vertex-centric Luby A and Luby B implementations, and (2) the CombBLAS linear-algebra Luby A implementation. Results show that proposed algorithms outperform both implementations of Luby algorithms, especially in distributed execution. Furthermore, we show that for low-diameter graphs the algorithm that applies global ordering scales better than other algorithms and for high diameter graphs the original asynchronous algorithm and thread-level ordering algorithm show better performance.

maximal independent set (MIS), distributed memory ↗

DOE OSTI2021

Physics-informed, empirically constrained machine learning for designing Fe-9Cr alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Materials data analytics can be used to significantly shorten development time of specialized alloys needed for next generation energy applications. Incorporation of the domain knowledge into deep-learning graph structure via fuzzy pre-training and causal process imitation presents a viable approach to developing accurate data-driven models and reliable alloy design tools, with limited datasets. It was demonstrated that the domain knowledge-based empirical constraints not only inhibit overfitting but also allow training more accurate and reliable ML models with improved transparency of the output interpretation. In this study, alloy tensile properties were interpreted with three competing virtual-microstructure models.</span>

Romanov, Vyacheslav↗

DOE OSTI2015

Separated response functions in exclusive, forward π ± electroproduction on deuterium

Background: Measurements of forward exclusive meson production at different squared four-momenta of the exchanged virtual photon, Q 2 , and at different four-momentum transfer, t, can be used to probe QCD's transition from meson-nucleon degrees of freedom at long distances to quark-gluon degrees of freedom at short scales. Ratios of separated response functions in π⁻ and π⁺ electroproduction are particularly informative. Ratio for transverse photons may allow this transition to be more easily observed, while the ratio for longitudinal photons provides a crucial verification of the assumed pole dominance, needed for reliable extraction of the pion form factor from electroproduction data. Method: Data were acquired with 2.6-5.2 GeV electron beams and the HMS+SOS spectrometers in Jefferson Lab Hall C, at central Q 2 values of 0.6, 1.0, 1.6 GeV 2 at W=1.95 GeV, and Q 2 =2.45 GeV 2 at W=2.22 GeV. There was significant coverage in Φ And ϵ, which allowed separation of σ L,T,LT,TT . Results: σL shows a clear signature of the pion pole, with a sharp rise at small -t. In contrast, σ T is much flatter versus t. The longitudinal/transverse ratios evolve with Q 2 and t, and at the highest Q 2 =2.45 GeV 2 show a slight enhancement for π⁻ Production compared to π⁺. The π⁻/π⁺+ ratio for transverse photons exhibits only a small Q 2 -dependence, following a nearly universal curve with t, with a steep transition to a value of about 0.25, consistent with s-channel quark knockout. The σ TT /σ T ratio also drops rapidly with Q 2 , qualitatively consistent with s-channel helicity conservation. The π⁻/π⁺ ratio for longitudinal photons indicates a small isoscalar contamination at W=1.95 GeV, consistent with what was observed in our earlier determination of the pion form factor at these kinematics.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Strong constraints on the b → sγ photon polarisation from B0 → K*0e+e-decays

An angular analysis of the B 0 → K* 0 e + e - decay is performed using a data sample corresponding to an integrated luminosity of 9 fb - 1 of pp collisions collected with the LHCb experiment. The analysis is conducted in the very low dielectron mass squared ( q 2 ) interval between 0 . 0008 and 0 . 257 GeV 2 , where the rate is dominated by the B 0 → K * 0 γ transition with a virtual photon. The fraction of longitudinal polarisation of the K * 0 meson, F L , is measured to be F L = (4 . 4 ± 2 . 6 ± 1 . 4)%, where the first uncertainty is statistical and the second systematic. The \( {A}_{\mathrm{T}}^{\mathrm{Re}} \) observable, which is related to the lepton forward-backward asymmetry, is measured to be \( {A}_{\mathrm{T}}^{\mathrm{Re}} \) = - 0 . 06 ± 0 . 08 ± 0 . 02. The \( {A}_{\mathrm{T}}^{(2)} \) and \( {A}_{\mathrm{T}}^{\mathrm{Im}} \) transverse asymmetries, which are sensitive to the virtual photon polarisation, are found to be \( {A}_{\mathrm{T}}^{(2)} \) = 0 . 11 ± 0 . 10 ± 0 . 02 and \( {A}_{\mathrm{T}}^{\mathrm{Im}} \) = 0 . 02 ± 0 . 10 ± 0 . 01. The results are consistent with Standard Model predictions and provide the world’s best constraint on the b → sγ photon polarisation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Discovering High Entropy Alloy Electrocatalysts in Vast Composition Spaces with Multiobjective Optimization

High entropy alloys (HEAs) are a highly promising class of materials for electrocatalysis as their unique active site distributions break the scaling relations that limit the activity of conventional transition metal catalysts. Existing Bayesian optimization (BO)-based virtual screening approaches focus on catalytic activity as the sole objective and correspondingly tend to identify promising materials that are unlikely to be entropically stabilized. Here, we overcome this limitation with a multiobjective BO framework for HEAs that simultaneously targets activity, cost-effectiveness, and entropic stabilization. With diversity-guided batch selection further boosting its data efficiency, the framework readily identifies numerous promising candidates for the oxygen reduction reaction that strike the balance between all three objectives in hitherto unchartered HEA design spaces comprising up to 10 elements.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Exclusive π - electroproduction off the neutron in deuterium in the resonance region

We report new results for the exclusive and quasi-free cross sections off neutrons bound in deuterium y v n(p) →p π - (p) are presented over a wide final state hadron angle range with a kinematic coverage of the invariant mass (W) up to 1.825 GeV and the virtual photon four-momentum transfer squared (Q 2 ) from 0.4 to 1.0 GeV 2 . The exclusive structure functions have been extracted and their Legendre moments were obtained. Final-state-interaction contributions have been kinematically separated from the extracted quasi-free cross sections off bound neutrons solely based on the analysis of the experimental data. These new results will serve as long-awaited input for phenomenological analyses to extract the Q 2 evolution of previously unavailable n → N* electroexcitation amplitudes and to improve state-of-the-art models of neutrino scattering off nuclei by augmenting the already available results from free protons.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Greggd

greg(g)d - Global runtime for eBPF-enabled gathering (w/ gumption) daemon Recently the linux kernel has added support for low-level kernel monitoring and profiling through a in-kernel virtual machine. The tooling around these new features (the extended Berkley Packet Filter or eBPF for short) is not mature and is difficult to use. Benefits from eBPF are especially hard to realize while trying to do large scale deployments and integrate with existing metric analysis stacks. A tool was needed to enable loading and collecting data from eBPF programs on large scale HPC systems. Given the problems above it was obvious we needed some wrapper program to compile, load, and collect data from eBPF programs running in the kernel. This tool needed to be lightweight without a heavy set of dependencies, relatively stable between different kernel versions, and integrate nicely with existing widely used metric collection tools. We wrote a program that wraps the eBPF tooling and sends data to our metric gathering tool. eBPF programs are either compiled using the host compiler stack, or loaded in the kernel directly from an object file. These programs are then attached to the system calls that we want to profile. Whenever these system calls are run, the eBPF program collects information of interest and writes that to memory. Our wrapper program polls these memory locations, reads and formats the data, then sends the information to a local unix socket. Our other monitoring tools are configured to read from that socket and send it to the rest of our metric monitoring stack for analysis.

Voss, Joseph [Oak Ridge National Lab. (ORNL), Oak ↗

DOE OSTI2015

Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment

The numerical code DRSPALL (from direct release spallings) is written to calculate the volume of Waste Isolation Pilot Plant solid waste subject to material failure and transport to the surface (i.e., spallings) as a result of a hypothetical future inadvertent drilling intrusion into the repository. An error in the implementation of the DRSPALL finite difference equations was discovered and documented in a software problem report in accordance with the quality assurance procedure for software requirements. This paper describes the corrections to DRSPALL and documents the impact of the new spallings data from the modified DRSPALL on previous performance assessment calculations. Updated performance assessments result in more simulations with spallings, which generally translates to an increase in spallings releases to the accessible environment. Total normalized radionuclide releases using the modified DRSPALL data were determined by forming the summation of releases across each potential release pathway, namely borehole cuttings and cavings releases, spallings releases, direct brine releases, and transport releases. Because spallings releases are not a major contributor to the total releases, the updated performance assessment calculations of overall mean complementary cumulative distribution functions for total releases are virtually unchanged. Therefore, the corrections to the spallings volume calculation did not impact Waste Isolation Pilot Plant performance assessment calculation results.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment [Poster]

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Domain knowledge-informed, process-mapping AI graph for designing Fe-based alloys

<span style="font-family: Calibri, sans-serif; font-size: 12pt;">Continuous improvement in efficiency of a power plant relies on designing materials for use at increasingly higher temperature and/or pressure, for 100,000s hours of operation. Due to complexity, non-linearity and high-dimensionality of the problem, traditional Machine Learning (ML) approaches require unreasonably large datasets for the data-driven model development. Science-based material and process engineering complements hard data with, sometimes soft and intuitive, empirical domain knowledge. Artificial Intelligence (AI) was used in this study to incorporate such knowledge into computational graph architecture (process-mimicking artificial neuron design, causal layer and graph structures, ensemble modeling of latent states) and learning procedures (variable transformation, fuzzy physics pre-training and freezing of deep layers, virtual microstructure representation, and adversarial multi-objective optimization). The first alloys design pathways suggested by the AI tool (pyroMind) passed a preliminary engineering review on soundness and transparency.</span>

Romanov, Vyacheslav↗

DOE OSTI2020

Neutral Pion Electroproduction and development of a Neutral Particle Spectrometer

Protons and neutrons, i.e. nucleons, are the basic building blocks of the matter in the visible universe. The strong force binds the nucleons to form nuclei. The electromagnetic force forms the atoms by binding the electrons with the nuclei. The electromagnetic interaction is well understood by Quantum Electrodynamics (QED), which shows the most precise predictability amongst all the theories in physics. In QED, charges interact with each other by exchanging photons. The Quantum Chromodynamics (QCD) describes the strong interaction. Its degrees of freedom are quarks and gluons, the fundamental constituents of the nucleons. The quarks interact with each other by exchanging gluons. However, unlike QED, the gluons interact amongst themselves. This feature of self bindings of the gluons confines the quarks and gluons in the nucleons/hadrons, never to be seen as free. In order to study some of the features of QCD, such as confinement or the structure of the nucleon, one usually needs to rely on experiments. Electromagnetic probes, governed by the well-understood QED, are excellent tools to probe the nucleon. In general, different scales, e.g. electron beam energies, probe different regions of the nucleon. At low energy, of the order of a few GeV, the electron probes the nucleon in the valence quark region. As its energy increases, the electron probes the sea quark and gluon regions. The study of the nucleon structure in all these regions is needed to fully understand QCD. Form factors and parton distribution functions measured from elastic scattering and deep inelastic scattering of leptons off nucleons have provided a partial view of the internal structure of the nucleon. In the mid-1990s, Generalized Parton Distributions (GPDs) were developed. These new objects are a generalization of the form factors and parton distribution functions, but contain richer information on the nucleon internal structure. GPDs are accessible experimentally by deep exclusive reactions. Deeply virtual Compton scattering (DVCS) and deeply virtual meson production (DVMP) are some examples. The first dedicated DVCS/DVMP experiment took place in 2004 in Hall A at The Thomas Jefferson National Accelerator Facility, i.e. Jefferson Lab, in Virginia, U.S.A. A new DVCS/DVMP experiment, after the beam energy upgrade of Jefferson Lab, was carried out in Hall A in a wider kinematic range. Its data were taken from 2014 to 2016. In Hall C at Jefferson Lab, the next DVCS/DVMP experiment will take place. The Hall C experiment will further exploit the kinematic range with higher precision. A Neutral Particle Spectrometer (NPS) is in development to measure DVCS/DVMP events under high background conditions. Jefferson Lab will provide the highest precision data in the valence quark region for various exclusive reactions. The Electron-Ion Collider (EIC) is a future experimental facility currently planned to start operations around 2030 in the U.S.A. Its high energy and high luminosity will probe the sea quark and gluon regions providing answers to the outstanding questions of QCD, in particular in the region where matter is dominated by gluons. First of all, this document describes the data analysis and results of the Hall A neutral pion electroproduction off the proton, from the data taken in 2014-2016. Later, some of the developments towards the construction of the electromagnetic calorimeter of the NPS for the upcoming DVCS/DVMP experiment in Hall C are presented. Finally, one of the candidate materials for the EIC calorimeter, a glass scintillator, will be briefly introduced. I have participated to all these projects, in collaboration with many colleagues. I present in this thesis my contributions to each of these projects. My contributions to the neutral pion data analysis were focused on background subtractions on the calorimeter, acceptance calculations, and the estimation of the systematic uncertainty associated to the event selection cuts. Some necessary information on calibrations of the detectors and data analysis methods are also described. In the NPS project, I performed background dose calculations and energy and position resolution studies of the calorimeter, all using Monte Carlo simulations, with realistic geometries of the experimental apparatus. Characterization of the crystals of the calorimeter was also done. Additionally, I measured the radiation hardness of some glass scintillator in its early stage of development. In order to have a future reference when the glass calorimeter prototype will be tested, I simulated the energy resolution of the prototype.

Ko, Ho-San↗

DOE OSTI2016

Impact of Corrections to the Spallings Volume Calculation on Waste Isolation Pilot Plant Performance Assessment - 16135

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Adaptive primal–dual control for distributed energy resource management

With the increased adoption of distributed energy resources (DERs) in distribution networks, their coordinated control with a DER management system (DERMS) that provides grid services (e.g., voltage regulation, virtual power plant) is becoming more necessary. One particular type of DERMS using primal–dual control has recently been found to be very effective at providing multiple grid services among an aggregation of DERs; however, the main parameter, the primal–dual step size, must be manually tuned for the DERMS to be effective, which can take a considerable amount of engineering time and labor. To this end, we design a simple method that self-tunes the step size(s) and adapts it to changing system conditions. Additionally, it gives the DER management operator the ability to prioritize among possibly competing grid services. Here we evaluate the automatic tuning method on a simulation model of a real-world feeder in Colorado with data obtained from an electric utility. Through a variety of scenarios, we demonstrate that the DERMS with automatically and adaptively tuned step sizes provides higher-quality grid services than a DERMS with a manually tuned step size.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2025

The Dynamic Networks Experiments: Virtual Experiments to Quantify Gains in Nuclear Explosion Monitoring

We describe an ongoing series of virtual experiments conducted collaboratively by four United States National Laboratories: Sandia National Laboratories, Los Alamos National Laboratory, Lawrence Livermore National Laboratory, and Pacific Northwest National Laboratory. These Dynamic Network Experiments (DNEs) provide an experimental framework to evaluate the potential impact of new research tools on nuclear explosion monitoring. The second DNE (DNE2), completed in 2024, exploited waveform data (seismic, infrasound, and electromagnetic) that was recorded by multi-modal sensors within and near the Nevada National Security Site and synthetic radionuclide signatures over multiple time periods. During the execution of DNE2, we processed and analyzed data through a multi-stage event processing pipeline that ingested raw data, performed quality control, detected signals, built events from these signals, located these events, and characterized the events’ source types and sizes. For each stage and over the entire event processing pipeline, we evaluated performance changes by comparing the performance of new data processing methods, models, and algorithms against a baseline. We also performed an additional execution phase to assess event processing pipeline function, speed, and efficiency against that of an expert analyst, including computational and manual efforts. Finally, we assessed the impact and effort of modern computing infrastructure on the monitoring pipeline. This paper describes key elements of the DNEs, from formulation through execution, as demonstrated in DNE2. The DNEs introduce several novel concepts to quantitatively measure the potential impact of new methods on explosion monitoring, including the collaborative design of multi-modal datasets, performance and logistical metrics, and integrated analyses.

42 ENGINEERING↗

DOE OSTI2013

Low and high scale MSSM inflation, gravitational waves and constraints from Planck

In this paper we will analyze generic predictions of an inflection-point model of inflation with Hubble-induced corrections and study them in light of the Planck data. Typically inflection-point models of inflation can be embedded within Minimal Supersymmetric Standard Model (MSSM) where inflation can occur below the Planck scale. The flexibility of the potential allows us to match the observed amplitude of the TT-power spectrum of the cosmic microwave background radiation with low and high multipoles, spectral tilt, and virtually mild running of the spectral tilt, which can put a bound on an upper limit on the tensor-to-scalar ratio, r ≤ 0.12. Since the inflaton within MSSM carries the Standard Model charges, therefore it is the minimal model of inflation beyond the Standard Model which can reheat the universe with the right thermal degrees of freedom without any dark-radiation.

79 ASTRONOMY AND ASTROPHYSICS↗