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DOE OSTI2025

The DESI DR1 Peculiar Velocity Survey: Mock Catalog

We describe the production of the official set of mock catalogs for the Dark Energy Spectroscopic Instrument Peculiar Velocity Survey (DESI-PV) Data Release 1 (DR1). Our mock catalogs reproduce the Bright Galaxy Survey number density and clustering at low redshift $(z<0.1)$ and the DESI PV samples of Fundamental plane and Tully-Fisher distances, from which we derive peculiar velocities. We carefully match mock and data properties and we mimic measurements of distance indicators and peculiar velocities, which follow the same statistical properties as real data. Mock samples of type-Ia supernovae also complement the other two distance indicators. Our 675 available mock realizations were used consistently by our three different methodologies described in our companion papers that measure the growth rate of structure $fσ_8$ with DESI PV DR1. Those mocks allow us to perform precise tests of clustering models and uncertainty estimation to an unprecedented level of accuracy, and compute correlations between methodologies. The consensus value for the DESI DR1 PV growth rate measurement is $fσ_8 = 0.450 \pm 0.055$. This sample of mock catalogs represents the largest and most realistic set for cosmological measurements with peculiar velocities to date.

Bautista, J. [Marseille, CPPM]↗
DOE OSTI2025

An Image-Plane Approach to Gravitational Lens Modeling of Interferometric Data

Strong gravitational lensing acts as a cosmic telescope, enabling the study of the high-redshift universe. Astronomical interferometers, such as the Atacama Large Millimeter/submillimeter Array (ALMA), have provided high-resolution images of strongly lensed sources at millimeter and submillimeter wavelengths. To model the mass and light distributions of lensing and source galaxies from strongly lensed images, strong lens modeling for interferometric observations is conventionally performed in the visibility space, which is computationally expensive. In this paper, we implement an image-plane lens modeling methodology for interferometric dirty images by accounting for noise correlations. We show that the image-plane likelihood function produces accurate model values when tested on simulated ALMA observations with an ensemble of noise realizations. We also apply our technique to ALMA observations of two sources selected from the South Pole Telescope survey, comparing our results with previous visibility-based models. Our model results are consistent with previous models for both parametric and pixelated source-plane reconstructions. We implement this methodology for interferometric lens modeling in the open-source software package lenstronomy.

Zhang, Nan [Illinois U., Urbana (main)] (ORCID:000↗
DOE OSTI2025

Utility of a hybrid approach to the hadronic vacuum polarization contribution to the muon anomalous magnetic moment

An accurate calculation of the leading-order hadronic vacuum polarization (LOHVP) contribution to the anomalous magnetic moment of the muon ( a μ ) is key to determining whether a discrepancy, suggesting new physics, exists between the Standard Model and experimental results. This calculation can be expressed as an integral over Euclidean time of a current-current correlator G ( t ) , where G ( t ) can be calculated using lattice QCD or, with dispersion relations, from experimental data for e + e − → hadrons . The BMW/DMZ collaboration recently presented a hybrid approach in which G ( t ) is calculated using lattice QCD for most of the contributing t range, but using experimental data for the largest t (lowest energy) region. Here we study the advantages of varying the position t = t 1 separating lattice QCD from data-driven contributions. The total LOHVP contribution should be independent of t 1 , providing both a test of the experimental input and the robustness of the hybrid approach. We use this criterion and a correlated fit to show that Fermilab/HPQCD/MILC lattice QCD results from 2019 strongly favor the CMD-3 cross section data for e + e − → π + π − over a combination of earlier experimental results for this channel. Further, the resulting total LOHVP contribution obtained is consistent with the result obtained by BMW/DMZ, and supports the scenario in which there is no significant discrepancy between the experimental value for a μ and that expected in the Standard Model. We then discuss how improved lattice results in this hybrid approach could provide a more accurate total LOHVP across a wider range of t 1 values with an uncertainty that is smaller than that from either lattice QCD or data-driven approaches on their own. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Facile Tensile Testing Platform for In Situ Transmission Electron Microscopy of Nanomaterials

In situ tensile testing using transmission electron microscopy (TEM) is a powerful technique to probe structure-property relationships of materials at the atomic scale. In this work, a facile tensile testing platform for in situ characterization of materials inside a transmission electron microscope is demonstrated. The platform consists of: 1) a commercially available, flexible, electron-transparent substrate (e.g., TEM grid) integrated with a conventional tensile testing holder, and 2) a finite element simulation providing quantification of specimen-applied strain. The flexible substrate (carbon support film of the TEM grid) mitigates strain concentrations usually found in free-standing films and enables in situ straining experiments to be performed on materials that cannot undergo localized thinning or focused ion beam lift-out. The finite element simulation enables direct correlation of holder displacement with sample strain, providing upper and lower bounds of expected strain across the substrate. The tensile testing platform is validated for three disparate material systems: sputtered gold-palladium, few-layer transferred tungsten disulfide, and electrodeposited lithium, by measuring lattice strain from experimentally recorded electron diffraction data. The results show good agreement between experiment and simulation, providing confidence in the ability to transfer strain from holder to sample and relate TEM crystal structural observations with material mechanical properties.

2D materials↗
DOE OSTI2025

BACKFLIP: A Comparison of Market-Benchmark Backsheet Technologies to Novel Non-Fluoro-Based Coextruded Materials and Their Correlation and Impact on PV Module Degradation Rates: Final Results of the Study at 4000 Hours or 2 Years

As the photovoltaic (PV) industry is rapidly expanding around the world, there has been an increasing interest in extending the lifespan of PV modules. Concern has also emerged regarding the recyclability of modules and their component materials, including fluoropolymer-based backsheets. Laminated polyethylene-terephthalate (PET) core backsheets have traditionally been used in the PV industry, but new, co-extruded polyolefin (PO) backsheets show promise as an improved alternative. Mini-module and coupon samples of seven different backsheets (made of layers including contemporary PET and fluoropolymers, novel PO, and polyamide (PA) materials) were run through hygrometric- or UV photolytic-accelerated aging to identify and better understand each material's degradation modes and the backsheets' field reliability. In addition to the artificial aging, the natural weathering methods used in this study are described. The comprehensive set of chemical, mechanical, and structural characterizations at intermittent read points in this study is presented, including: visual appearance and color; gloss; mechanical tensile testing; I-V performance; electroluminescence (EL) imaging; dielectric breakdown; FTIR-chemical structure; X-ray-polymer structure (WAXS); and DSC-crystalline content. After 4000 h of accelerated aging or 2y of outdoor aging, a strong correlation occurs between initial physical characteristics (mechanical tensile test) and operating performance (EL and I-V characteristics).

14 SOLAR ENERGY↗
DOE OSTI2024

Mock data sets for the Eboss and DESI Lyman-α forest surveys

We present a publicly-available code to generate sets of mock Lyman-α (Lyα) forest data that have realistic large-scale correlations including those due to the Baryonic Acoustic Oscillations (BAO). The primary purpose of these mocks is to test the analysis procedures of the Extended Baryon Oscillation Survey (eBOSS) and the Dark Energy Spectroscopy Instrument (DESI) surveys. The transmitted flux fraction, F(λ), of background quasars due to Lyα absorption in the intergalactic medium (IGM) is simulated using the Fluctuating Gunn-Petterson Approximation (FGPA) applied to Gaussian random fields produced through the use of fast Fourier transforms (FFT). The output includes the IGM-Lyα transmitted flux fraction along quasar lines of sight and a catalog of high-column-density systems appropriately placed at high-density regions of the IGM. This output serves as input to additional code that superimposes the IGM tranmission on realistic quasar spectra, adds absorption by high-column-density systems and metals, and simulates instrumental transmission and noise. Redshift space distortions (RSD) of the flux correlations are implemented by including the large-scale velocity-gradient field in the FGPA resulting in a correlation function of F(λ) that can be accurately predicted. One hundred realizations have been produced over the 14,000 deg 2 DESI survey footprint with 100 quasars per deg 2 . The analysis of these realizations shows that the correlations of F(λ) follows the prediction within the accuracy of eBOSS survey. Here, the most time-consuming part of the mock production occurs before application of the FGPA, and the existing pre-FGPA forests can be used to easily produce new mock sets with modified redshift-dependent bias parameters or observational conditions.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Damage evolution and ductile fracture of commercially-pure titanium sheets subjected to simple tension and cyclic bending under tension

This paper describes a study into the evolution of damage in commercial-purity titanium (CP–Ti) sheets subjected to cyclic bending under tension (CBT) and uniaxial tension (simple tension, ST). Sections were taken from sheets that were strained to various levels under both methods and were imaged using X-ray computed tomography (XCT) to reveal insights into the size, density, and distribution of microvoids in the sheets. Digital image correlation (DIC) was also used to observe the surface strain of CBT and ST sheets during testing. These results showed that elongation to failure (ETF) for CBT deformation is about 2.5× higher than for ST, local longitudinal strains in the bulk of the CBT sample are around 1.3× higher than the peak strain in the ST necked region, and 1.7× higher in the localized region of CBT failure. It was found that the volume-density of voids in both sheets followed a similar exponential increase with strain, reaching nearly 45× higher in the CBT than the ST sheets before the onset of failure, mainly due to the higher strain levels achieved. A higher volume density of voids developed in the center of sheets at high levels of strain, for both processes, with the density in the sheet center becoming approximately double that found near the edges. Scanning electron microscopy (SEM) was used to examine the fracture surface of CBT and ST sheets after failure. The observations are presented and discussed highlighting the CBT process as effective to delay ductile fracture of the CP-Ti sheets.

Commercially pure titanium↗
DOE OSTI2025

Dianhydride-Modified Graphitic Carbon Nitride as a Support for Cobalt Single-Atom Photocatalysts

Graphitic carbon nitride (C 3 N 4 ) has been widely explored as a photoactive support for single-atom catalysts (SACs). In this paper, three different π-rich aromatic dianhydrides are employed to introduce molecular quantized trap states into the conduction band of C 3 N 4 to facilitate efficient charge-separation and to promote an enhanced photocatalytic CO 2 reduction response. These modified C 3 N 4 materials have been characterized structurally and spectroscopically for use as the support for Co-based SACs. In photocatalytic CO 2 reduction studies, the Co SAC on naphthalene dianhydride doped C 3 N 4 exhibited the highest activity and selectivity towards CO production among the Co SACs tested in this work. The observed improvement in photocatalytic CO 2 -to-CO conversion activity correlates with trends in photoinduced charge separation, as revealed by photoluminescence spectroscopy.

14 SOLAR ENERGY↗
DOE OSTI2026

Ultrasonic-Assisted Extrusion Processing for Enhancing Physical Properties of High-Density Polyethylene by Flow-Induced Crystallization

The evolution of crystallinity resulting from stress imposed on a melt, known as flow-induced crystallinity, can strongly influence the mechanical and physical properties of semicrystalline polymers. This study investigates shear-induced crystallization by applying an ultrasonic field to the melt flow as it passes through dies with various geometries. A custom-built sonication die is employed for controlling the dynamic temperature and shear environment, resulting in molecular alignment and potential for flow-induced crystallization. Application of both conventional and ultrasonic shear rates at the equilibrium melt temperature of high-density polyethylene (HDPE) was investigated to accelerate crystallinity and manipulate the crystal morphology across the film in pursuit of improved mechanical and gas barrier properties without the need for additives or other polymer layers. The relationships among ultrasonic-assisted extrusion processing, polymer structure, and performance were analyzed using wide- and small-angle X-ray scattering (WAXS and SAXS), tensile testing, and oxygen transmission rate (OTR) analysis. Multiple linear regression models were implemented to predict the correlation among HDPE structure, process, and properties. Structural analysis revealed that both conventional and ultrasonic shear rates had the most significant influence on lamellar spacing and redistribution of rigid and soft amorphous fractions within the crystalline domains, ultimately dictating the mechanical and physical properties of the films. The goal is to explore the potential of the ultrasonic-assisted high crystallinity monolayer that can replace some of the functionality of complex, heterogeneous multilayer packaging with a single-material film having enhanced oxygen barrier properties.

crystallinity↗
DOE OSTI2026

Scattering phase shift in quantum mechanics on quantum computers

Here, we investigate the feasibility of extracting infinite volume scattering phase shift on quantum computers in a simple one-dimensional quantum mechanical model, using the formalism established in the work by Guo and Gasparian [Phys. Rev. D 108, 074504 (2023)] that relates the integrated correlation functions for a trapped system to the infinite volume scattering phase shifts through a weighted integral. The system is first discretized in a finite box with periodic boundary conditions, and the formalism in real time is verified by employing a contact interaction potential with exact solutions. Quantum circuits are then designed and constructed to implement the formalism on current quantum computing architectures. To overcome the fast oscillatory behavior of the integrated correlation functions in real-time simulation, different methods of postdata analysis are proposed and discussed. Test results on IBM hardware show that good agreement can be achieved with two qubits, but complete failure ensues with three qubits due to two-qubit gate operation errors and thermal relaxation errors.

Guo, Peng [Dakota State Univ., Madison, SD (United↗
DOE OSTI2026

Characterization of Low-energy Ionization Signals in Silicon Detectors for the Nab Experiment

The Nab (Neutron a b) experiment is designed to measure the beta-antineutrino angular correlation in free neutron 𝛽 decay with an ultimate precision goal of 0.1%, providing input for tests of Cabibbo-Kobayashi-Maskawa matrix unitarity. This measurement is performed via detection of electrons and protons in delayed coincidence using custom large-area segmented silicon detectors. We present the characterization of one such detector system to establish the proton energy and timing response, using a dedicated proton accelerator. The detected proton peak was studied for 25, 30, and 35 keV incident protons on a set of detector segments and multiple cooling cycles over a one-year period. Ionization losses were consistent with models of the detector dead layer with thicknesses less than 100 nm. The detected proton peak was stable within the uncertainty from energy calibration (0.25 keV). The rise times of detector pulses from 109Cd and 113Sn conversion electron sources were used to extract the impurity density profile and establish a precise model for the detector timing response. The observed impurity density profile varied from (2±2)×109/cm3 at the center to (26±2)×109/cm3 at the edge. This impurity density profile was then used to characterize systematic effects in proton time-of-flight measurements due to detector pulse-shape effects; the resultant proton timing systematic uncertainties were below 0.3 ns, which is sufficient for the Nab experiment.

Taylor, RJ [North Carolina State University]↗
DOE OSTI2024

Precise cosmological constraints from BOSS galaxy clustering with a simulation-based emulator of the wavelet scattering transform

For this study, we perform a reanalysis of the BOSS CMASS DR12 galaxy dataset using a simulation-based emulator for the wavelet scattering transform (WST) coefficients. Moving beyond our previous works, which laid the foundation for the first galaxy clustering application of this estimator, we construct a neural net-based emulator for the cosmological dependence of the WST coefficients and the 2-point correlation function multipoles, trained from the state-of-the-art suite of abacussummit simulations combined with a flexible halo occupation distribution (HOD) galaxy model. In order to confirm the accuracy of our pipeline, we subject it to a series of thorough internal and external mock parameter recovery tests, before applying it to reanalyze the CMASS observations in the redshift range 0.46 < z < 0.57. We find that a joint WST+2-point correlation function likelihood analysis allows us to obtain marginalized 1⁢σ errors on the Λ⁢ CDM parameters that are tighter by a factor of 2.5–6, compared to the 2-point correlation function, and by a factor of 1.4–2.5 compared to the WST-only results. This corresponds to a competitive 0.9%, 2.3% and 1% level of determination for parameters ω c , ⁢σ 8 &n s , respectively, and also to a 0.7% and 2.5% constraint on derived parameters h and ƒ⁡(z)⁢⁢σ 8 ⁡(z), in agreement with the Planck 2018 results. Our results reaffirm the constraining power of the WST and highlight the exciting prospect of employing higher-order statistics in order to fully exploit the power of upcoming stage-IV spectroscopic observations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Dynamic, symmetry-preserving, and hardware-adaptable circuits for quantum computing many-body states and correlators of the Anderson impurity model

We present a hardware-reconfigurable ansatz on N q -qubits for the variational preparation of many-body states of the Anderson impurity model (AIM) with N imp + N bath = N q /2 sites, which conserves total charge and spin z component within each variational search subspace. The many-body ground state of the AIM is determined as the minimum over all minima of O(N$^2_ q$) distinct charge-spin sectors. Hamiltonian expectation values are shown to require ω(N q ) < N meas. $\leqslant$ O(N imp N bath ) symmetry-preserving, parallelizable measurement circuits, each amenable to postselection. To obtain the one-particle impurity Green’s function we show how initial Krylov vectors can be computed via midcircuit measurement and how Lanczos iterations can be computed using the symmetry-preserving ansatz. For a single-impurity Anderson model with a number of bath sites increasing from one to seven, we show using numerical emulation that the ease of variational ground-state preparation is suggestive of linear scaling in circuit depth and subquartic scaling in optimizer complexity. We therefore expect that, combined with time-dependent methods for Green’s function computation, our ansatz provides a useful tool to account for electronic correlations on early fault-tolerant processors. Finally, with a view towards computing real materials properties of interest like magnetic susceptibilities and electron-hole propagators, we provide a straightforward method to compute many-body, time-dependent correlation functions using a combination of time evolution, midcircuit measurement-conditioned operations, and the Hadamard test.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Technologies for Enhanced Condensation in sCO 2 Power Cycles

The direct fired supercritical carbon dioxide power cycle has higher efficiency, compact machinery footprint, and is resilient under transient operation. It has been shown that improving the cycle main cooler significantly improves performance, including increased cycle efficiency, decreased cost of electricity and decreased cooler outlet temperatures. One way to improve this process is through enhanced condensation techniques and management of condensation fluid. This manuscript provides an overview of active and passive enhanced condensation technologies, with a focus on the passive approaches. compared to passive approaches, active approaches can have higher heat transfer enhancement, but the additional power and infrastructure can be problematic. The passive approaches identified include microfins (helical and herringbone), corrugated tubing, dimpled tubing and pin fins. After comparison it is found that the microfin geometry has the best performance characteristics followed by the additively manufactured pin fins. It is noted that current literature around additively manufactured enhancements is lacking, and investigation of conventional as well as novel geometries fabricated in this manner may be worth further investigation. Benchmark correlations for these geometries are identified and their limitations outlined. For further investigation, a matrix of test articles is presented for possible experimentation.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2025

Package Testing Program Process for Validation and Verification of Software

The purpose of this document is to define the process for validation and verification (V&V) of software used to test the thermal data acquisition equipment in the Oak Ridge National Laboratory (ORNL) Package Testing Program (PTP) as part of the testing configuration(s). This process adheres to all applicable ORNL Standards Based Management System requirements and correlates with the PTP Quality Management System and the Software Quality Assurance Plan.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2026

Growth-associated polyhydroxybutyrate accumulation in Azospira suillum PS during aerobic and perchlorate respiration

Polyhydroxyalkanoates (PHAs) are widespread microbial storage polymers increasingly recognized for roles beyond carbon and energy storage, including redox homeostasis and stress physiology. While PHA accumulation is classically associated with stationary-phase metabolism under severe nutrient imbalance, comparatively little is known about growth-associated PHA synthesis in facultative anaerobes with unusual respiratory strategies. Here, we investigated polyhydroxybutyrate (PHB) metabolism in Azospira suillum PS, a genetically tractable perchlorate-reducing bacterium capable of both aerobic and anaerobic respiration. Using physiological growth experiments, targeted gene deletions, PHB extractions, and intracellular redox measurements, we examined PHB accumulation under varying respiratory and nutrient conditions. We demonstrate that PHB accumulates during exponential growth under moderately nitrogen-limited conditions, both aerobically and during perchlorate respiration, representing a rare example of growth-associated PHB synthesis under anaerobic conditions. Genomic analysis revealed four phaC homologs, one of which could not be deleted under the experimental conditions tested and co-localized with phaB and phaR. Redox profiling further revealed a strong positive correlation between PHB accumulation and intracellular NADPH/NADP+ ratios. Together, these findings expand the physiological contexts in which PHB synthesis is known to occur and highlight perchlorate-respiring bacteria as underexplored model systems for studying growth-integrated carbon and redox storage strategies.

Meier, David A O↗
DOE OSTI2025

Mechanical and Tribological Performance of Additively Manufactured Nanocrystalline Aluminum via Cryomilling and Cold Spray

In this study, nanocrystalline (NC) aluminum (Al) and magnesium (Mg)-doped Al bulk components were fabricated using a hybrid manufacturing process that combines cryomilling and high-pressure cold spray (HPCS) additive deposition techniques. Yttria-stabilized zirconia (YSZ) was also added during the HPCS process to improve deposition efficiency and build-up thickness via peening. The evolution of morphology, crystallite size, and elemental composition of both cryomilled powders and cold-sprayed (CS’ed) components was systematically characterized using X-ray Diffraction (XRD), Scanning Electron Microscopy (SEM), and Transmission Electron Microscopy (TEM). Mechanical characterization was performed using Vickers microhardness and uniaxial tensile testing, while the tribological behavior was assessed using sliding wear tests under dry/lubricated conditions. XRD analysis revealed that increased cryomilling duration led to significant crystallite refinement, which directly correlated with enhanced hardness and strength. This mechanical strengthening was accompanied by an increase in coefficient of friction (COF) and lower wear rates. The results also showed that the Mg-doped Al exhibited superior hardness, tensile strength, and tribological performance compared to pure Al. The study further explores the underlying mechanisms responsible for these enhancements, highlighting the potential of solute-assisted grain boundary stabilization in tailoring high-performance NC Al alloys.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Connecting ambient toxicity testing with community-level responses of benthic macroinvertebrates in an impacted stream in East Tennessee, USA

Single-species laboratory toxicity tests are a standard tool for evaluating potential impairment of freshwater systems; however, it remains uncertain how well they reflect community-level impacts in natural environments. This study presents a multi-decadal dataset (2005-2025) pairing ambient toxicity testing with macroinvertebrate surveys along Bear Creek on the Oak Ridge Reservation (Tennessee, USA) downstream of an industrial complex to assess the ability of laboratory tests using stream water to track community-level effects. Biannual three-brood Ceriodaphnia dubia tests from 2005 to 2025 often showed reduced reproduction at select sites. Integrating water quality data showed strong positive correlations between sublethal toxicity and specific conductance. Macroinvertebrate diversity metrics, family-level occurrence, and densities were also associated with conductance and contemporaneous C. dubia responses. Laboratory-measured sublethal toxicity was a stronger indicator of macroinvertebrate change than conductance alone, although responses varied among sites and seasons. At the site with the highest diversity, densities and richness of Ephemeroptera, Plecoptera, Trichoptera (EPT) and non-EPT taxa were significantly related to C. dubia reproduction, with greater toxicity corresponding to lower diversity. At the family level, some pollution-tolerant taxa were more prevalent and at higher densities during periods of sublethal toxicity, while some sensitive families were absent or reduced. These patterns may reflect site-specific mixtures of acute and chronic stressors, with laboratory toxicity tests more effectively capturing short-term impacts. Overall, these multi-decadal observations suggest that laboratory toxicity tests can help track water-quality changes linked to shifts in aquatic community diversity, despite variable responses reflecting the complexity of dynamic stressors in this impacted freshwater system.

Stevenson, Louise [ORNL] (ORCID:0000000349679897)↗