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DOE OSTI2022

Multiscale investigation of the microstructural mechanisms driving ratchet growth in PBX 9502

The high explosive PBX 9502 undergoes irreversible expansion during thermal cycling (“ratchet growth”). Recent innovations in thermomechanical modeling via homogenization strategies are beginning to incorporate mesoscale information such as grain size, total porosity, and spatial distribution of voids and cracks. To generate a complete experimental data set to challenge and inform these models, PBX 9502 pellets were thermally cycled, cross-sectioned using ion polishing, and imaged in high resolution with scanning electron microscopy. Ratchet growth was found to drive expansion through microcracking. Microcracks were affected by agglomeration of crystals within the PBX. Virgin material showed greater ratchet growth than recycled material.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Hydrologic windows into the crystalline basement and their controls on groundwater flow patterns across the Paradox Basin, western USA

Conceptual models of sedimentary basin groundwater flow systems typically assume that the crystalline basement acts as an impermeable boundary and can be neglected. In this study, we use hydrologic models constrained by isotopic and geochemical datasets to argue that the La Sal Mountains, Utah, USA, act as a hydrologic window into the Paradox Basin’s lower aquifer system and underlying crystalline basement. We conducted a sensitivity study in which we varied crystalline basement/laccolith permeability as well as fault zone connectivity along a cross-sectional transect from the La Sal Mountains to Lisbon Valley. When the crystalline basement/laccolith units are set at relatively permeable levels (10–14 m 2 ), simulated tracers that include total dissolved solids, oxygen isotopic composition of pore fluids (δ 18 O), and groundwater residence times are in closest agreement with field measurements. Model results indicate that pore fluids in the basal aquifer system underlying the Paradox Formation confining unit are a mixture of relatively young meteoric fluids and older Paradox Formation brines. The presence of faults did not significantly modify fluid exchange between the upper and lower aquifer systems. This was due, in part, to underpressuring within the Paradox Formation. Our study concludes that the Paradox Basin represents a regional recharge area for the Colorado Plateau, with groundwater discharge occurring along the Colorado River within the Grand Canyon some 375 km away to the southwest. This is only possible with a permeable crystalline basement. Our findings help explain the genesis of Mississippi Valley-type ore deposits of the US Midcontinent, where the presence of a permeable basement may be useful in addressing issues related to solute mass and energy balance.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Complete lowest order radiative corrections in semi-inclusive scattering of polarized particles

For this work, the lowest order radiative corrections to the cross section and asymmetries measured in experiments on semi-inclusive deep inelastic scattering of polarized particles were calculated. Both exact and leading log expressions were presented and discussed for the total correction that include the contributions from the processes of i) real photon emission with semi-inclusive processes, ii) loop diagrams, and iii) real photon emission with exclusive processes. Radiative corrections to the Sivers and Collins asymmetries in $\pi^+$ electroproduction were studied numerically within the kinematical conditions of modern experimental environments at Jefferson Laboratory (JLab). The Wandzura-Wilczek approximation for the semi-inclusive structure functions and MAID2007 parameterization for the six amplitudes of exclusive processes were used in numeric analyses. The results show that i) radiative effects can generate a correction comparable to the size of Sivers and Collins asymmetries at the Born level, ii) there is good agreement between the exact and leading-order corrections, iii) external functions (that is, other than the Sivers and Collins functions in the respective asymmetries) can generate a contribution to the radiative correction up to 20%, and iv) there exists a strong dependence of the radiative correction on the models for semi-inclusive and exclusive structure functions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Insights of Molecular Mechanism of Xylem Development in Five Black Poplar Cultivars

Black poplar (Populus deltoides, P. nigra, and their hybrids) is the main poplar cultivars in China. It offers interesting options of large-scale biomass production for bioenergy due to its rapid growth and high yield. Poplar wood properties were associated with chemical components and physical structures during wood formation. In this study, five poplar cultivars, P. euramericana ‘Zhonglin46’ (Pe1), P. euramericana ‘Guariento’ (Pe2), P. nigra ‘N179’ (Pn1), P. deltoides ‘Danhong’ (Pd1), and P. deltoides ‘Nanyang’ (Pd2), were used to explore the molecular mechanism of xylem development. We analyzed the structural differences of developing xylem in the five cultivars and profiled the transcriptome-wide gene expression patterns through RNA sequencing. The cross sections of the developing xylem showed that the cell wall thickness of developed fiber in Pd1 was thickest and the number of xylem vessels of Pn1 was the least. A total of 10,331 differentially expressed genes were identified among 10 pairwise comparisons of the five cultivars, most of them were related to programmed cell death and secondary cell wall thickening. K-means cluster analysis and Gene Ontology enrichment analysis showed that the genes highly expressed in Pd1 were related to nucleotide decomposition, metabolic process, transferase, and microtubule cytoskeleton; whereas the genes highly expressed in Pn1 were involved in cell wall macromolecule decomposition and polysaccharide binding processes. Based on a weighted gene co-expression network analysis, a large number of candidate regulators for xylem development were identified. And their potential regulatory roles to cell wall biosynthesis genes were validated by a transient overexpression system. This study provides a set of promising candidate regulators for genetic engineering to improve feedstock and enhance biofuel conversion in the bioenergy crop Populus.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Hierarchical Bayesian Thermonuclear Rate for the 7 Be(n,p) 7 Li Big Bang Nucleosynthesis Reaction

Big Bang nucleosynthesis provides the earliest probe of standard model physics, at a time when the universe was less than 1000 seconds old. It determines the abundances of the lightest nuclides, which give rise to the subsequent history of the visible matter in the universe. This work derives new 7 Be(n,p) 7 Li thermonuclear reaction rates based on all available experimental information. This reaction sensitively impacts the primordial abundances of 7 Be and 7 Li during big bang nucleosynthesis. We critically evaluate all available data and disregard experimental results that are questionable. For the nuclear model, we adopt an incoherent sum of single-level, two-channel, R -matrix approximation expressions, which are implemented into a hierarchical Bayesian model, to analyze the remaining six data sets we deem most reliable. In the fitting of the data, we consistently model all known sources of uncertainty, including discrepant absolute normalizations of different data sets, and also take the variation of the neutron and proton channel radii into account, hence providing less biased estimates of the 7 Be(n,p) 7 Li thermonuclear rates. From the resulting posteriors, we extract R -matrix parameters ($E_r, γ^2_n, γ^2_p$) and derive excitation energies and partial and total widths. Our fit is sensitive to the contributions of the first three levels above the neutron threshold. Reaction rates were computed by integrating 10,000 samples of the reduced cross section. Our 7 Be(n,p) 7 Li thermonuclear rates have uncertainties between 1.5% and 2.0% at temperatures of ≤1 GK. Finally, we compare our rates to previous results and find that the 7 Be(n,p) 7 Li rates most commonly used in big bang simulations have uncertainties that are too optimistic.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Analyzing the Effects of the Interference between One- and Two-Body Currents on Neutrino-Nucleus Scattering in ACHILLES

Modeling improvements of neutrino–nucleus scattering are an essential aspect of reducing systematic uncertainties for current and future neutrino oscillation experiments. In particular, retaining quantum mechanical effects such as the interference between one-body (1p1h) and two-body (2p2h) currents in our cross-section models is an essential consideration. This work investigates the impact of this interference term on neutrino–argon scattering using the ACHILLES event generator, which directly implements the interference model developed by Lovato, Rocco, and Steinberg. Using fluxes relevant to SBND, the DUNE near detector, and MiniBooNE, charged- and neutral-current event samples are generated and predicted event rates are plotted against a variety of kinematic variables. For events simulated using the SBND flux, it is found that interference contributes approximately 10 \% to the total charged-current event rate, and serves to enhance the quasi-elastic peak. When considering events generated using the DUNE flux, resonance interactions contribute more to the predicted event rate, as the neutrino flux extends out to higher energies. The relative interference contribution subsequently decreases to roughly 7 \%. Neutral-current simulations show a higher rate of neutron knockout. Finally, a comparison of argon-to-carbon cross-section ratios is performed utilizing fluxes from SBND and MiniBooNE.

Pando, Nathan [Fermilab]↗

DOE OSTI2025

Analyzing the Effects of the Interference between One- and Two-Body Currents on Neutrino-Nucleus Scattering in ACHILLES

Pando, Nathan [Fermilab]↗

DOE OSTI2025

Loosely bound composite dark matter

We investigate loosely bound composite states made of dark matter, where the binding energy for constituent particles is considerably less than the constituent mass. We focus on models of nuclear and molecular dark matter, where constituents are separated by length scales larger than the inverse constituent mass, just like nuclei and atoms in the Standard Model. The cosmology, structure, and interactions at underground experiments are described. We find that loosely bound composites can have a very large cross section for scattering with nuclei that scales with nucleon number like ∼ A 4 . For some couplings, these composites produce extremely soft (≪ keV) individual atomic recoils while depositing a large amount of total recoil energy (≫ keV) in a single passage through a detector, implying an interesting new class of signatures for low threshold direct detection.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

The NuMI Flux Prediction at ICARUS

The Deep Underground Neutrino Experiment (DUNE) is a next-generation long-baseline neutrino oscillation experiment seeking to probe fundamental symmetries within the structure of the Pontecorvo-Maki-Nakagawa-Sakata (PMNS) mixing matrix, and perform precision measurements its parameters including the neutrino mass ordering via the sign of $\Delta m^2_{31}$, and the charge-parity violating phase, $\delta_{CP}$. To make these measurements with high precision, DUNE will require external $\nu$-Ar scattering cross section data as a crucial input to the oscillation fit. Imaging Cosmic And Rare Underground Signals (ICARUS) is a 476 t liquid argon neutrino detector located at Fermi National Accelerator Laboratory (FNAL) where it is serving as the far detector for the Short-Baseline Neutrino (SBN) program along the Booster Neutrino Beam (BNB) axis. ICARUS additionally lies 795 m downstream and 100.1 mrad off-axis of the Neutrinos at the Main Injector (NuMI) neutrino beam. From this position, ICARUS is exposed to a large flux of NuMI (anti-)electron and (anti-)muon neutrinos, and poses a unique opportunity to provide high-statistics measurements of quasi-elastic and single pion-production cross sections for four neutrino flavors ($\nu_{\mu}$, $\nu_{e}$, $\bar{\nu}_{\mu}$, $\bar{\nu}_{e}$). This dissertation is centered around accurately characterizing the models and estimating their precision for use in making these measurements. This includes identifying major sources of uncertainty in the models such that they can be properly propagated to the cross section measurements. Specifically, this work focused on the model of the NuMI beamline and its impact on the neutrino fluxes, but also delved into the detector response model and its impact on reconstructed observables in the detector. Significant efforts were made to improve the characterization to enhance precision and thus reduce the level of propagated uncertainty. In particular, the NuMI flux was determined to be composed of 57% $\nu_{\mu}$, 38% $\bar{\nu}_{\mu}$, 3% $\nu_{e}$, and 2% $\bar{\nu}_{e}$ while the horns are operating in the positive-particle focusing configuration. The total uncertainty on the $\nu_{\mu} + \bar{\nu}_{\mu}$ ($\nu_{e} + \bar{\nu}_{e}$) flux while operating in the forward horn operating mode was determined to be 10.84% (9.04%). Compared to the on-axis flux, mesons that eventually decay to neutrinos more frequently reinteract within the NuMI structure, resulting in elevated uncertainty as these processes are not well-constrained by existing hadron interaction cross section measurements. Covariance matrices were calculated to propagate the flux uncertainty characterization to NuMI analyses.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2022

Process design of the piperazine advanced stripper for a 460 MW NGCC

The Texas Carbon Management Program is conducting a Front-End Engineering Design (FEED) for Piperazine with the Advanced Stripper™ (PZAS™) at a natural gas combined cycle power plant in west Texas. Here, this paper presents the design of the advanced stripper system with an emphasis on the selection of packing type, packing height, column diameter, and heat exchanger size, demonstrates the effect of ambient temperature swing on the regeneration energy requirement, and investigates two alternate process configurations that provide better energy performance than PZAS™. The design uses 2 stripper trains, and each train uses two cold cross exchangers, one hot cross exchanger, a stripper column, a CO 2 exchanger, and a condenser. Each column consists of two sections of random packing with RSR 2 packing at the top and RSR 3 packing at the bottom, with a total packed height of 7.5 m. The cold exchanger was designed with an NTU of 6, the hot exchanger with an NTU of 2, and the CO 2 exchanger with an NTU of 5. At 0.4 rich loading and 0.2 lean loading, this design resulted in a heat duty of 2.85 GJ/tonne CO 2 . The heat duty can vary up to 3.1 GJ/tonne CO 2 due to lower rich loading at higher summer temperature, but the absolute steam requirement is 8–15% lower in the summer. An alternate design, PZAS with hot rich bypass, is proposed, which can reduce the equivalent work of stripping by 1.5–3.5% compared to PZAS at low heat exchanger size, due to a reduction in stripper driving force. Using a hot rich bypass increases the vapor fraction of the total rich bypass stream from 0.3 to 1 mol% compared to using the warm rich bypass, which also contributes to a reduction in lost work in the column. PZAS with hot rich bypass outperforms PZAS in energy requirement below a packing height of 15 m, but fails to do so above 15 m of packing due to a column pinch that results in little change in LMTD of the column. PZAS with hot rich bypass has the potential to minimize capital cost in addition to reducing energy requirement as it requires less packing to strip CO 2 than PZAS and requires only one cross exchanger with 8 heat transfer units.

03 NATURAL GAS↗

DOE OSTI2022

Light baryon resonances from a coupled-channel study including $$\mathbf {K\Sigma }$$ photoproduction

The Jülich-Bonn dynamical coupled-channel approach is extended to include KΣ photoproduction off the proton. Differential cross section and (double) polarization data for K + Σ 0 and K 0 Σ + are analysed simultaneously with the pion- and photon-induced production of πN, ηN, KΛ, and KΣ final states, totaling almost 72,000 data points for center-of-mass energies W<2.4 GeV. Based on the fit results the spectrum of N * and Δ resonances is extracted in terms of pole positions and residues. We discuss the impact of the γp→KΣ channels in detail and investigate the influence of recent polarization data for ηp photoproduction.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Influence of neutron cross-section resonances on organ/tissue equivalent and effective dose coefficients for the ICRP voxel phantoms

The materials which compose the ICRP Voxel phantoms used in the computation of conversion coefficients involve neutron interaction cross-sections that have resonances at specific energies. Depending on the energy bin structure used in the computations, these cross-section resonances may occur at energies that fall between energies at which dose coefficients are computed, thus their effects may not be completely accounted for in the reported coefficients. Here In this study, a highly refined energy grid that closely follows the resonance structure in the phantom material cross-sections was identified and used to calculate dose coefficients. Both the equivalent organ/tissue doses for male and female voxel phantoms were computed as well as their summation to obtain the effective dose coefficients. The used refined energy grid tracks very closely the cross-sections in the vicinity of the resonances. The resulting refined energy grid coefficients are compared to coefficients for the coarser energy grid used in ICRP Publication 116. Additionally, reference spectra have been folded with both the fine and coarse sets of conversion coefficients. The resulting total effective doses for these reference spectra are used to assess the adequacy of the dose coefficients calculated on the original ICRP 116 energy grid. The dose coefficients were similarly computed for the local skin dose on the trunk of the body using the ICRU Report 95 phantom. The overall impact of the resonances on the organ/tissue equivalent dose, the effective dose, and the local skin dose are presented and discussed. In general, it was found that resonances can impact neutron dose coefficients, but in most cases the wide range of neutron energies encountered minimized this effect. The impact of resonances was further limited when computing effective dose due to organ/tissue summing and sex-averaging. For the neutron fields studied here, the impact was below 5%.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Classification of events from α -induced reactions in the MUSIC detector via statistical and ML methods

The Multi-Sampling Ionization Chamber (MUSIC) detector is typically used to measure nuclear reaction cross sections relevant for nuclear astrophysics, fusion studies, and other applications. From the MUSIC data produced in one experiment scientists carefully extract an order of 10 3 events of interest from about 10 9 total events, where each event can be represented by an 18-dimensional vector. However, the standard data classification process is based on expert driven, manually intensive data analysis techniques that require several months to identify patterns and classify the relevant events from the collected data. Here, to address this issue, we present a method for the classification of events originating from specific α-induced reactions by combining statistical and machine learning methods that require significantly less input from the domain scientist, relative to the standard technique. Here, we applied the new method to two experimental data sets and compared our results with those obtained using traditional methods. With few exceptions, the number of events classified by our method agrees within ±20% with the results obtained using traditional methods. With the present method, which is the first of its kind for the MUSIC data, we have established the foundation for the automated extraction of physical events of interest from experiments using the MUSIC detector.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Measurements of proton capture in the A=100–110 mass region: Constraints on the In 111 (γ,p)/(γ,n) branching point relevant to the γ process

The γ process is an explosive astrophysical scenario, which is thought to be the primary source of the rare proton-rich stable p nuclei. However, current γ-process models remain insufficient in describing the observed p-nuclei abundances, with disagreements up to two orders of magnitude. A sensitivity study has identified 111 In as a model-sensitive (γ,p)/(γ,n) branching point within the γ process. Constraining the involved reaction rates may have a significant impact on the predicted p-nuclei abundances. Here we report on measurements of the cross sections for 102 Pd (p,γ) 103 Ag, 108 Cd (p,γ) 109 In, and 110 Cd (p,γ) 111 In reactions for proton laboratory energies 3–8 MeV using the high efficiency total absorption spectrometer and the γ-summing technique. These measurements were used to constrain Hauser-Feshbach parameters used in talys 1.9, which constrains the 111 In(γ,p) 110 Cd and 111 In(γ,n) 110 Ag reaction rates. The newly constrained reaction rates indicate that the 111 In(γ,p)/(γ,n) branching point occurs at a temperature of 2.71 ± 0.05 GK, well within the temperature range relevant to the γ process. These findings differ significantly from previous studies and may impact the calculated abundances.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2021

Nodal root diameter and node number in maize ( Zea mays L.) interact to influence plant growth under nitrogen stress

Under nitrogen limitation, plants increase resource allocation to root growth relative to shoot growth. The utility of various root architectural and anatomical phenotypes for nitrogen acquisition are not well understood. Nodal root number and root cross-sectional area were evaluated in maize in field and greenhouse environments. Nodal root number and root cross-sectional area were inversely correlated under both high and low nitrogen conditions. Attenuated emergence of root nodes, as opposed to differences in the number of axial roots per node, was associated with substantially reduced root number. Greater root cross-sectional area was associated with a greater stele area and number of cortical cell files. Genotypes that produced few, thick nodal roots rather than many, thin nodal roots had deeper rooting and better shoot growth in low nitrogen environments. Fewer nodal roots offset the respiratory and nitrogen costs of thicker diameter roots, since total nodal root respiration and nitrogen content was similar for genotypes with many, thin and few, thick nodal roots. We propose that few, thick nodal roots may enable greater capture of deep soil nitrogen and improve plant performance under nitrogen stress. Synergistic interactions between an architectural and anatomical trait may be an important strategy for nitrogen acquisition. Understanding trait interactions among different root nodes has important implications in for improving crop nutrient uptake and stress tolerance.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2023

Search for new physics in the τ lepton plus missing transverse momentum final state in proton-proton collisions at $ \sqrt{s}$ = 13 TeV

A search for physics beyond the standard model (SM) in the final state with a hadronically decaying tau lepton and a neutrino is presented. This analysis is based on data recorded by the CMS experiment from proton-proton collisions at a center-of-mass energy of 13 TeV at the LHC, corresponding to a total integrated luminosity of 138 fb$^{–1}$. The transverse mass spectrum is analyzed for the presence of new physics. No significant deviation from the SM prediction is observed. Limits are set on the production cross section of a W' boson decaying into a tau lepton and a neutrino. Lower limits are set on the mass of the sequential SM-like heavy charged vector boson and the mass of a quantum black hole. Upper limits are placed on the couplings of a new boson to the SM fermions. Constraints are put on a nonuniversal gauge interaction model and an effective field theory model. For the first time, upper limits on the cross section of t-channel leptoquark (LQ) exchange are presented. These limits are translated into exclusion limits on the LQ mass and on its coupling in the t-channel. The sensitivity of this analysis extends into the parameter space of LQ models that attempt to explain the anomalies observed in B meson decays. The limits presented for the various interpretations are the most stringent to date. Additionally, a model-independent limit is provided.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Dipole Strength Distribution of 8 He and Decay Characteristics

The weak binding and spatially extended neutron densities characteristic of drip-line nuclei give rise to a distinctive low-energy dipole response. The drip-line nucleus 8 He is the most neutron-rich bound nucleus with a mass-to-charge ratio of 𝐴/𝑍 = 4. We measure the dipole response of 8 He, including for the first time the four-neutron decay channel. A total dipole strength of ∑𝐵⁡(𝐸⁢1)(𝐸*< 15 MeV) = 0.95⁢(16)⁢𝑒 2 fm 2 and a dipole polarizability of 𝛼 𝐷 = 0.61⁢(1) fm 3 are extracted from the differential Coulomb-excitation cross section and compared to state-of-the-art theoretical calculations employing coupled cluster and three-body approaches. We find that the dipole continuum is dominated, even at high excitation energies well above the 4⁢𝑛 decay threshold, by two-neutron emission, pointing to a 6 He + 2⁢𝑛 structure of the excited dipole mode. No indication was found for a 4⁢𝑛 final-state correlation, while pronounced 𝑛⁢𝑛 and 6 He−𝑛 final-state correlations are apparent.

Lehr, C. [Technical University of Darmstadt (Germa↗

DOE OSTI2026

TCAD-Machine Learning Enabled TID Compact Model Development for Commercial SiC MOSFET

We propose a TCAD (Technology Computer Aided Design)-machine learning coupled approach that combines a TCAD tool (Charon), optimization/uncertainty quantification tool (Dakota), surrogate models, and Bayesian learning capabilities. The coupling approach is used for accurate modeling and calibration of total ionizing dose (TID) induced threshold voltage (V th ) shifts in Commercial-Off-The-Shelf (COTS) semiconductor devices and to develop physics-informed TID compact models. This versatile approach is applied to model the TID effect in an exemplar COTS 3.3 kV SiC power MOSFET (Metal-Oxide-Semiconductor Field-Effect Transistor). With the Charon-Dakota coupling, we can determine key device geometry and doping values based on device physics, which are difficult to obtain or not available for COTS devices but important for TCAD simulation; additionally, we can efficiently generate thousands of simulation results in a large parameter space, which makes it possible to develop data-driven surrogate models and perform Bayesian calibration. Utilizing the full tool-coupling approach, we achieve calibrated TCAD simulation models that accurately capture the average TID-induced V th shifts behavior with total doses and V th shifts saturation at high doses as observed in experimental data. More importantly, the calibrated TCAD simulations are obtained with determined TID model parameters (e.g., hole trap density and capture cross section) values that contain well quantified uncertainties. Furthermore, we can isolate and quantify the noises that are not captured by the TCAD models but exist in the measured data due to measurements and devices variabilities. Lastly, the calibrated surrogate models are used to develop physics-informed TID compact models. The method is generalizable to other devices and/or radiation conditions with few modifications and can provide well-determined uncertainties.

COTS↗