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DOE OSTI2025

AI-assisted transport of radioactive ion beams

Beams of radioactive heavy ions allow researchers to study rare and unstable atomic nuclei, shedding light into the internal structure of exotic nuclei and on how chemical elements are formed in stars. However, the extraction and transport of radioactive beams rely on time-consuming expert-driven tuning methods, where hundreds of parameters are manually optimized. Here, in this study, we introduce a system that employs Artificial Intelligence (AI), specifically utilizing Bayesian Optimization, to assist in the transport process of radioactive beams. We apply our methodology to real-life scenarios showing advantages when compared with standard tuning methods. This AI-assisted approach can be extended to other radioactive beam facilities around the world to improve operational efficiency and enhance scientific output.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Nonlinear analog processing with anisotropic nonlinear films

Digital signal processing is the cornerstone of several modern-day technologies, yet in multiple applications it faces critical bottlenecks related to memory and speed constraints. Thanks to recent advances in metasurface design and fabrication, light-based analog computing has emerged as a viable option to partially replace or augment digital approaches. Several light-based analog computing functionalities have been demonstrated using patterned flat optical elements, with great opportunities for integration in compact nanophotonic systems. So far, however, the available operations have been restricted to the linear regime, limiting the impact of this technology to a compactification of Fourier optics systems. In this paper, we introduce nonlinear operations to the field of metasurface-based analog optical processing, demonstrating that nonlinear optical phenomena, combined with nonlocality in flat optics, can be leveraged to synthesize kernels beyond linear Fourier optics, paving the way to a broad range of new opportunities. As a practical demonstration, we report the experimental synthesis of a class of nonlinear operations that can be used to realize broadband, polarization-selective analog-domain edge detection.

analog image processing↗

DOE OSTI2025

SCGSR Final Report

Dual phase noble liquid time projection chambers (TPCs) have an unprecedented sensitivity towards dark matter searches and neutrinos, owing to their ability to detect single electrons. When a particle deposits energy into one of these detectors, electrons are released and drifted into a gaseous region of high electric field. In the gas, the electrons are accelerated to produce extra light into what is called an S2 pulse. This light is far easier to detect than the current induced from a single electron. The two widely used elements for noble liquid detectors are Xe and Ar. Xe has a larger chance of being hit by neutrinos or dark matter, but ends with a lower (i.e. harder to detect) energy when struck. However, Ar light is hard to reflect and detect due to its short wavelength which is absorbed by most materials. While one may use TPB to re-emit this light at a longer wavelength, spatial variations of TPB thickness can smear the amount of re-emitted light, and thus cause a poor S2 energy resolution and spatial resolution. Furthermore, a single electron pulse in Ar is spread over a much longer time than one in Xe, which makes it harder to identify single electrons in Ar. The goal of Xe doping is to combine the best aspects of Ar with the best aspects of Xe. More specifically, this means a detector with a larger yield of photons and electrons produced per energy deposition, an ability to collect more of the light given by those signals, and a narrower pulse from the electron signal. During this project, we developed and operated a detector that can overcome the thermodynamic challenges of Xe doping – namely, preventing Xe from freezing. In the first experimental run during this award period, we found that we can achieve at least 5% of Xe in LAr, and measure the Xe concentration in the gas. In the second run, we installed our detector and saw the first S2 pulses in a dual phase Xe doped LAr TPC. With the data we took, we quantified the effect of Xe doping on the detectability of wavelength-shifted light produced in a Xe doped Ar mixture, as well as the single electron pulse shape. While the Ar light has successfully been wavelength shifted, we learned that much to our surprise, Xe doping actually makes the S2 pulse wider before it makes it narrower.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Evaluation of Properties for Microsample Identification

A study was conducted to determine if individual particle characteristics could be used to identify particles of interest, sub-samples, from bulk post-detonation debris. Three archived post-detonation debris samples were used for this effort. Particles from these samples were identified as active (produced fission tracks), and inactive (did not produce fission tracks), as the first defining characteristic. Morphology was the secondary characteristic to select particles for further study, i.e. spherical/non-spherical. Once particles were identified and isolated, they were characterized by optical microscopy for size in µm, number of fission tracks, morphology, transmitted light color, and reflected light color. Particles were then analyzed by scanning electron microscopy for morphology, elemental content, and compound identification. Raman spectroscopy was attempted on five particles with indeterminate results due to environmental mixing (heterogeneity) during the events of particle formation. Once all non-destructive analyses were completed all particles were analyzed by thermal ionization mass spectrometry to determine isotopic atom percents of plutonium and uranium, and an estimate of atoms of plutonium and uranium in each particle. An estimate of the ratio of uranium to plutonium was also obtained (U/Pu). Data analytics of the data from the particles showed that combining characteristics of the particles have a high probability of identifying particles of interest from bulk post-detonation debris samples. Please note that this version of the report is an abridged version of the full report (Wagnon et al. 2025) that has been edited to be appropriate for public release.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2024

HPE ultralit project (ARPA-E open program 2018) final report 15

The goal of the program was to build a fully integrated optical transceiver with >1 Tb/s and <1.5 pJ/bit operating at 50 ◦ C. Optical transceivers are critical components in high-performance-computers (HPC) and data centers, and the details of their implementation has a big impact on the total power consumption (energy efficiency) of an HPC system. Our proposed transceiver used three key enabling technologies. Firstly, SiGe avalanche photodetectors have record-low sensitivities, meaning that they can reach low bit error rates with very little light input. As a result, we can drive our lasers at a lower drive current, thus saving electrical power. Secondly, we use MOS-based capacitive tuning in our deinterleaver, modulator, and demultiplexer. Capacitive tuning allows for the tuning of photonic elements with zero static power consumption. Thirdly, we use quantum dots as the gain material in our light source. This allows us to efficiently use our light source at temperatures that are typically encountered in an HPCsystem. Our proposed optical transceiver consisted of a quantum dot comb laser as a light source, a booster SOA, MOS-based deinterleavers, MOS based ring modulators, MOS-based ring demultiplexers, and SiGe APDs.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Gravitational form factors of charmonia

We investigate the gravitational form factors of charmonium. Our method is based on a Hamiltonian formalism on the light front known as basis light-front quantization. The charmonium mass spectrum and light-front wave functions were obtained from diagonalizing an effective Hamiltonian that incorporates confinement from holographic QCD and one-gluon exchange interaction from light-front QCD. We proposed a quantum many-body approach to construct the hadronic matrix elements of the energy momentum tensor T + + and T + − , which are used to extract the gravitational form factors A ( Q 2 ) and D ( Q 2 ) . The obtained form factors satisfy the known constraints, e.g., the von Laue condition. From these quantities, we also extract the energy, pressure and light-front energy distributions of the system. We find that hadrons are multilayer systems. Published by the American Physical Society 2024

Astronomy & Astrophysics↗

DOE OSTI2024

Molecular catalyst coordinatively bonded to organic semiconductors for selective light-driven CO 2 reduction in water

The selective photoreduction of CO 2 in aqueous media based on earth-abundant elements only, is today a challenging topic. Here we present the anchoring of discrete molecular catalysts on organic polymeric semiconductors via covalent bonding, generating molecular hybrid materials with well-defined active sites for CO 2 photoreduction, exclusively to CO in purely aqueous media. The molecular catalysts are based on aryl substituted Co phthalocyanines that can be coordinated by dangling pyridyl attached to a polymeric covalent triazine framework that acts as a light absorber. This generates a molecular hybrid material that efficiently and selectively achieves the photoreduction of CO 2 to CO in KHCO 3 aqueous buffer, giving high yields in the range of 22 mmol g -1 (458 μmol g -1 h -1 ) and turnover numbers above 550 in 48 h, with no deactivation and no detectable H 2 . The electron transfer mechanism for the activation of the catalyst is proposed based on the combined results from time-resolved fluorescence spectroscopy, in situ spectroscopies and quantum chemical calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Evaluating Protection System Performance for a Real-World Weak Grid Area With High Inverter-Based Resources

This paper evaluates an existing protection scheme implemented in a real-world weak grid area with a high penetration of inverter-based resources (IBRs). The study aims to assess the reliability and adequacy of protection schemes originally designed for traditional synchronous machine systems and determine whether they can continue to operate reliably in systems with high levels of IBRs. Hardware relays are tested using a controller-hardware-in-the-loop setup. PSCAD electromagnetic transient simulation with an IBR original equipment manufacturer black-box model is used to perform fault studies and generate COMTRADE data, which are replayed by a realtime digital simulator (RTDS) to feed input to the hardware relays. Three scenarios are analyzed: normal operation, an N-1 contingency, and an IBR-only scenario. The evaluation results reveal the following: 1) the protection scheme remains reliable under normal conditions and N-1 contingencies and 2) in IBRonly scenarios, differential protection (87L) continues to operate reliably, whereas local protection elements, such as distance and directional elements, fail because of the lack of regulated negative sequence current contributed by IBRs. These findings provide utilities with valuable insights for improving their protection systems in high-IBRs.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2024

High repetition-rate 0.5 Hz broadband neutron source driven by the Advanced Laser Light Source

Neutron beams are an essential tool to investigate material structure and perform nondestructive analysis, as they give unique access to element composition, thus ideally complementing density analysis allowed by standard x-rays investigation. Laser-driven neutron sources, though compact and cost-effective, currently have lower average flux than conventional neutron sources, due to the limited repetition rate of the lasers used so far. However, advancements in laser technology allow nowadays to address this challenge. Here, we report results obtained at the Advanced Laser Light Source characterizing stable production of broadband (0.1–2 MeV) neutrons produced at a high repetition rate (0.5 Hz). The interaction of laser pulses of 22 fs duration and 3.2 J on-target energy with 2-μm-thick tantalum targets produced protons in the Target Normal Sheath Acceleration (TNSA) regime up to 7.3 MeV. These protons were subsequently converted into neutrons by (p,n) reactions in lithium fluoride (LiF). Activation measurements and bubble detectors were used to characterize neutron emissions, with a neutron fluence of up to ∼1.4×105 neutrons/shot/sr and energies mainly between a few hundred of kilo-electron volt and 2 MeV. The total neutron yield was ∼5×105 neutrons/shot. This paves the way for numerous applications, e.g., in homeland security, materials science, or cultural heritage.

Physics↗

DOE OSTI2025

Computational analysis of interface-driven spin-orbit coupling in molecular adsorbates on transition metal dichalcogenides

Spin-orbit coupling (SOC) lifts molecular orbital degeneracy, enabling bilevel electronic platforms suitable for next-generation digital devices. However, common light-atom molecular feedstocks exhibit weak SOC due to the absence of heavy elements. To enhance SOC without synthesizing new materials, we leverage interfacial interactions between molecules and transition-element-based solid-state materials. This computational study investigates SOC splitting in metal-phthalocyanine adsorbed on transition metal dichalcogenides (TMDs) using density functional theory (DFT). The enhanced SOC splitting is attributed to strong orbital hybridization at the molecule-substrate interface. Specifically, Zn-phthalocyanine (ZnPC) on monolayer Mo⁢S 2 achieves a notable SOC splitting of ∼8 meV. Furthermore, when ZnPC forms self-assembled chains on Mo⁢S 2 , the splitting increases to ∼20 meV, driven by the formation of hybrid bands modulated by molecular periodicity. Furthermore, these findings highlight the role of interfacial and intermolecular interactions in inducing and enhancing SOC in surface-adsorbed molecules, providing a new strategy for molecular spintronic materials without complex synthetic efforts.

2-dimensional systems↗

DOE OSTI2024

Neutrinoless double beta decay rates in the presence of light sterile neutrinos

We investigate neutrinoless double-beta decay (0νββ) in minimal extensions of the Standard Model of particle physics where gauge-singlet right-handed neutrinos give rise to Dirac and Majorana neutrino mass terms. We argue that the standard treatment of these scenarios, based on mass-dependent nuclear matrix elements, is missing important contributions to the 0νββ amplitude. First, new effects arise from the exchange of neutrinos with very small (ultrasoft) momenta, for which we compute the associated nuclear matrix elements for the decays of 76 Ge and 136 Xe. These contributions can dominate the 0νββ rate in cases with light sterile neutrinos. The ultrasoft terms are also relevant in the more standard scenario of just three light Majorana neutrinos where they lead to a 10% reduction of the total 0νββ amplitude. Secondly, we highlight the importance of short-range terms associated with medium-heavy sterile neutrinos and provide explicit formulae that can be used in phenomenological analyses. As examples we discuss impact of these new effects in several explicit scenarios, including a realistic 3 + 2 model with two right-handed gauge-singlet neutrinos.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Tuning crosslinking of hybrid preceramic polymers in vat photopolymerization toward controlled ceramic yields

Control of preceramic polymer crosslinking for UV-curable processing is essential for fine 3D printing with high ceramic conversion for sustainable polymer-derived ceramics (PDC) engineering. While various factors influencing ceramic yield have been studied, the systematic exploration of the relationship between crosslinking and ceramic yield, especially when crosslinking increases volatile elements, remains open for further investigation. This study addresses this gap by utilizing vat photopolymerization (VP) additive manufacturing (AM) as a versatile platform for controlling preceramic crosslinking and ceramic yield. By rationally designing and tuning the photochemical crosslinking through digital light processing (DLP), we demonstrate that the ceramic yield can be enhanced from 64% to over 86%, even with added volatile elements. We reveal that the post-pyrolysis ceramic yield can be closely correlated with the pre-pyrolysis crosslinking of the preceramic network represented by its stiffness. This correlation thereby suggests a fast, energy-efficient, non-destructive methodology to predict and improve ceramic yield. Combined with these findings, our one-pot thiol-ene hybridization of polycarbosilane and polycarbosiloxane via DLP offers an exemplary method to generate hybrid preceramic polymers with tailored material properties toward target applications, and potentially even higher ceramic yields. This study thus contributes to achieving better resource- and energy-efficient preceramic polymer and PDC processing routes toward sustainable, advanced organic–inorganic materials manufacturing.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Pion and kaon PDFs from lattice QCD via large momentum effective theory and short-distance factorization

In this paper, we present a first-principles lattice-QCD calculation of the unpolarized quark PDF for the pion and the kaon. The lattice data rely on matrix elements calculated for boosted mesons coupled to non-local operators containing a Wilson line. The calculations on this lattice ensemble correspond to two degenerate light, a strange, and a charm quark (𝑁 𝑓 = 2 + 1 + 1), using maximally twisted mass fermions with a clover term. The lattice volume is 32 3 × 64, with a lattice spacing of 0.0934 fm, and a pion mass of 260 MeV. Matrix elements are calculated for hadron boosts of |𝑃 3 | = 0, 0.41, 0.83, 1.25, 1.66, and 2.07 GeV. To match lattice QCD results to their light-cone counterparts, we employ two complementary frameworks: the large-momentum effective theory (LaMET) and the short-distance factorization (SDF). Using these approaches in parallel, we also test the lattice data to identify methodology-driven systematics. Results are presented for the standard quark PDFs, as well as the valence sector. Beyond obtaining the PDFs, we also explore the possibility of extracting information on SU(3) flavor-symmetry-breaking effects. For LaMET, we also parametrize the momentum dependence to obtain the infinite-momentum PDFs. Since the present calculation is performed on a single ensemble at a pion mass of 260 MeV and fixed lattice spacing, the uncertainties reported are statistical only, and systematic uncertainties remain to be addressed in future multi-ensemble studies.

Miller, Joshua [Temple University, Philadelphia, P↗

DOE OSTI2024

XRF-XFS-XAS-Auto v1.0 - Beta release

This software allows to analyze XRF maps, XFS spectra and XAS spectra collected at the Advanced Light Source's Beamline 10.3.2. Features include: 1) XRF maps: - process XRF maps, all elemental maps are saved as bmp automatically and labeled with the incident energy used, the scale bar is also labeled and can be controlled. - XRF elemental correlation plots, save the correlation plots automatically - Extract single or multiple transects in XRF maps on one or several regions of interest, each transect profile is numbered and saved in a corresponding folder, along with the corresponding maps showing transect location. 2) XFS spectra - save in log10 scale the XFS spectra, either a single or multiple files all at once. The files are saved as .bmp. - XFS spectra are labeled according to tabulated fluorescence emission lines. 3) XAS spectra - allows to plot individual scalers in the raw data. - allows calibration of the spectra using an Io internal glitch present in all spectra and performing 1st derivative. - Least-square linear combination fitting of XANES or extended XANES spectra using a database of standards using 1, 2 or 3 components maximum. It also provides the 5 top combinations and provide the user for the possibility of saving the 2nd, 3rd, 4th and 5th best combinations in addition to the best one. The processed spectra (pre-edge background substracted, post-edge normalized), the fits and residuals are automatically saved. A table of the component, with fit% and SSN is provided and saved automatically as well.

Fakra, Sirine↗

DOE OSTI2025

Establishing a process-structure-property-performance framework for SLS additive manufacturing through integrated multiscale modeling

This study presents a comprehensive suite of high-fidelity computational models that integrate multiscale and multiphysics simulations to capture the full Selective Laser Sintering (SLS) additive manufacturing process—from initial melting and solidification to mechanical response under external loads. Process simulations are linked with mechanical analysis through Representative Volume Elements (RVEs), establishing a process-structure–property-performance framework. The interaction between laser light and polyamide 12 (PA12) powder is modeled, accounting for laser characteristics and the optical, thermal, and geometrical properties of the powder. The heat source is incorporated into a heat transfer model, coupled with crystallization kinetics and densification models to predict material density and crystallinity. The porosity distribution from the densification model and crystallinity interpolated from experimental data are used to construct the RVEs. A multi-mechanism constitutive model is then calibrated using mechanical tests to predict the stress–strain response. Simulation results show good agreement with experimental data in terms of porosity, crystallinity, and mechanical performance when sufficient laser power (62 W or higher) is used. This research supports the inverse design of 3D-printed structures by introducing a high-fidelity framework that combines multiscale and multiphysics modeling with experimental calibration for predictive and performance-driven additive manufacturing.

SLS↗

DOE OSTI2025

Summertime Carbonaceous Aerosol in Interior Versus Coastal Northern Alaska

Abstract Rapid warming is likely increasing primary production and wildfire occurrence in the Arctic. Projected changes in carbonaceous aerosols during the summer will impact atmospheric chemistry and climate, but our understanding of these processes is limited by sparse observations. Here, we characterize carbonaceous aerosol in Alaska, USA: Toolik Field Station in the Interior and the Atmospheric Radiation Measurement facility at Utqiaġvik on the Arctic coast, during the summers of 2022 and 2023. We estimated PM 2.5 and PM 10 concentrations using laser light scattering (PurpleAir sensors) and examined total carbon (TC) and its organic carbon (OC) and elemental carbon (EC) fractions in total suspended particles (TSP). We investigated the dominant sources of carbonaceous aerosol using air mass backward‐trajectories from the NOAA HYSPLIT model and radiocarbon source apportionment of TC. TC concentrations were about twice as high in the Interior compared to the coast, with contemporary sources dominating at both Toolik (95%–99%) and Utqiaġvik (86%–89%) over minor contributions from fossil sources. Elevated PM, TC, OC, and EC concentrations coincided with major boreal forest fire activity in North America that brought smoke to the region. The radiocarbon signature of EC measured at Toolik during these wildfire events indicated that over 90% of the EC came from contemporary sources. Our measurements demonstrate the potential for Arctic aerosol concentrations to respond significantly to climate warming‐induced changes to the landscape and emphasize the need for continuous atmospheric monitoring to advance our understanding of this rapidly changing environment.

Welch, Allison M. [Department of Earth System Scie↗

DOE OSTI2025

Fundamental mode excitation via Joule–Thomson light expansion in nonlinear optical lattices

Under linear conditions, power injected from a single waveguide into a multi-core fiber array results in multimode propagation, progressively diminishing the spatial coherence of light. In this work, we introduce a comprehensive approach to mitigate this coherence loss by means of a nonlinear thermodynamic Joule–Thomson expansion. By leveraging the tools of optical thermodynamics, we demonstrate that as light undergoes a sudden transition from a small to a larger nonlinear optical array, it can abruptly drop its optical temperature to near-zero values. During this cooling process, light irreversibly flows into the system's fundamental mode with very high efficiency, synchronizing all elements of the lattice with the input port. We show that this nonlinear effect is highly predictable even in systems of arbitrary geometry and shape and can be controlled precisely by the initial conditions at the input of the array. In particular, for a single injection point, the reduction in optical temperature can be directly determined by the total power, irrespective of the input location.

Pyrialakos, Georgios G. (ORCID:0000000286129694)↗

DOE OSTI2025

Fabrication and Characterization of MiniFuel Specimen

Burnable absorbers (BAs) are used in UO 2 fuels to tune the reactivity in a light water reactor (LWR) particularly at the beginning of life of the fuel. BAs are elements that have high neutron absorption cross sections and because of this property can prevent power peaking. The addition of BAs reduces the reactivity at the beginning of life, and this in turn allows for the increase of enrichments from > 5 % 235 U up to ~ 10 %. This also enables the increase of the burnup limit to 75 GWd/MTU and the cycle length to 24 months. The BA are eventually consumed under irradiation, and their concentration is diminished at roughly 10-20 GWd/MTU. The objective of this report is to fabricate UO 2 fuels that have been doped with BAs (Gd 2 O 3 in this case) and subsequently irradiate them in the high flux isotope reactor (HFIR) at Oak Ridge National Laboratory. The test specimen that are fabricated include 4 and 8 weight % Gd 2 O 3 doped UO 2 to investigate the influence of the BAs on the thermophysical properties and microstructure of the fresh and irradiated fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗