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DOE OSTI2026

Investigation of the isoscalar monopole response in the proton-rich nucleus 14 O

Deuteron inelastic scattering on 14 O was measured in inverse kinematics using an active-target time projection chamber and a magnetic spectrograph. The experimental technique enabled precise measurements of deuteron recoiling particles in coincidence with beam-like fragments detected in the spectrograph focal plane. The double differential cross section was reconstructed for scattering angles of 3–6 degrees and excitation energies up to 26 MeV. The monopole strength distribution was obtained from the data using a multipole decomposition analysis. The results were compared to quasiparticle random-phase approximation (QRPA) and generator coordinate method (GCM) calculations. The QRPA calculation accurately describes experimental data in the energy range of 13 to 26 MeV. GCM calculations assuming a 12 C (g . s .) + p + p cluster configuration were used to determine the 0 + strength in 14 O below 13 MeV. The monopole transition strength of these cluster states provides a good description of the experimental distribution in the 9–11 MeV region, while the 0$^{+}_{2}$ state accounts for only a small fraction of the experimental strength around 6 MeV.

Active target↗

DOE OSTI2025

Estimation of intensity, footprint, and capacity of surface urban heat islands using a direction-enhanced adaptive synchronous extraction (DEASE) method

Here, the surface urban heat island (SUHI) effect, assessed through remotely sensed land surface temperature (LST), remains a focal point in urban climate research. Conventional indicators like SUHI intensity (SUHII) and footprint (SUHIF) capture peak values and spatial extent but fail to account for the cumulative thermal load—a critical dimension reflecting the total heat exposure imposed by spatially continuous warming, which directly limits a holistic assessment of ecological and societal impacts of the SUHI effect. Therefore, this study introduces an indicator termed SUHI capacity (SUHIC), designed to quantify the aggregated SUHI effect by integrating the magnitude of the warming signal across all affected areas, thereby enabling a more comprehensive evaluation of urban thermal environments. Furthermore, a direction-enhanced adaptive synchronous extraction (DEASE) method is proposed for the quantification of SUHIC. This method can dynamically identify the optimal background reference area based on the urban-rural LST gradients in various directions within the city, without relying on predefined mathematical models as previously. The results from 102 European cities first confirm that the directional variations in urban-rural LST gradients, and the DEASE method can effectively capture these distinctions for the simultaneous estimation of SUHII, SUHIF, and SUHIC. Secondly, the spatial patterns of absolute SUHIC values show strong associations with those of SUHIF (R2>0.86), while its relative values (normalized by the area of urban) align more closely with SUHII (R2 > 0.64). More importantly, SUHIC can serve as a crucial reference for assessing the urban thermal signal when SUHII and SUHIF diverge. The proposed method and framework contribute to standardizing the quantification of the SUHI effect.

Indicator↗

DOE OSTI2025

Modeling receiver flux of commercial power tower concentrating solar power plants using ray tracing: a round-robin comparison of SolTrace, Solstice, and TieSOL

This study presents a multi-stage, cross-validation comparison of three software packages for Monte Carlo ray tracing (MCRT) applied to central tower concentrating solar power (CSP) systems. The three packages evaluated are: (1) SolTrace, an open-source tool developed by the National Renewable Energy Laboratory (NREL); (2) Solstice, an open-source program created by CNRS-PROMES and Meso-Star, with enhancements for CSP applications (called solsticepy) from the Australian National University; and (3) TieSOL, a commercial software developed by Tietronix. This investigation extends previous ray tracing comparisons by incorporating models of multi-facet heliostats within a commercial-scale solar field, taking into account zoned focal lengths and canting configurations. Receiver flux distributions were compared across the tools using a series of case studies, including single-heliostat scenarios, isolated blocking situations, and comprehensive full-field simulations. The case studies were designed to diagnose differences across the models at varying levels of complexity, and to identify and resolve discrepancies as additional parameters were introduced. Key factors examined in the analysis include sun positions, heliostat location, facet and canting focus, and aimpoint strategies. The comparison aims to improve the accuracy and reliability of these tools while providing benchmark cases for validating future optical modeling tools.

14 SOLAR ENERGY↗

DOE OSTI2024

Comparative Study of Neutral and Cationic Sn 2 H 2 : Toward Laboratory Detection of the Cation

Group 14 M 2 H 2 isomers (M = Si, Ge, Sn, and Pb) have attracted interest due to their radically differing electronic structures from acetylene. To better understand the Sn–H interactions of the neutral and cationic Sn 2 H 2 structures, we present the most rigorous study of these systems to date. CCSD(T)/cc-pwCVTZ harmonic frequencies are presented as the first predictions for the neutral and cationic species to date. CCSDT(Q)/CBS relative energies are reported using the focal point approach, confirming the butterfly isomer as the global minimum on the potential energy surface for both the neutral and cationic species. In all, there exist 7 minima and 15 transition states. NBO analysis is also performed to elucidate the changes in bond order going from neutral to cation across all isomers of Sn 2 H 2 . Our results provide insights into the important Sn–H interaction and provide guidance for future work that may detect Sn 2 H$^{+}_{2}$ in the laboratory for the first time.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

Vibrational Signatures of Unrealized Phosphorus Suboxide Intermediates in White Phosphorus Oxidation Reactions

White phosphorus ignition notoriously produces the phosphoric acid anhydride P 4 O 10 , yet the intermediate oxidation steps remain undetermined. Here, we report the first geometric and vibrational characterization of two P 4 O 2 isomers, P 3 OPO and P 3 PO 2 , and substantiate a previously proposed cyclic P 4 O 2 isomer. We formally assign the infrared bands observed by Andrews and Mielke at 898 and 891 cm −1 to the antisymmetric P− O−P vibrations of P 3 OPO species. Additional bands corresponding to terminal P=O and −PO 2 stretches of P 3 OPO and P 3 PO 2 discussed herein also went unrecognized due to the peculiar bonding of P 4 O 2 species compared to oxo-bridged P 4 O x (x = 3−6) species. Sequential addition of oxygen atoms to the P 4 tetrahedron appears to form P 3 OPO and P 3 PO 2 , while cyclic P 4 O 2 is formed from P 2 O dimerization. CCSD(T) geometries, CCSD(T) + MP2[δVPT2] fundamental frequencies, and enthalpies of formation extrapolated using focal-point analysis are reported. The predicted enthalpies of formation relative to tetrahedral P 4 plus 3 Σ g − O 2 for bent-P 3 OPO, extended-P 3 OPO, P 3 PO 2 , and cyclic-P 4 O 2 are −93, −88, −85, and −63 kcal mol −1 , respectively.

Molecular structure↗

DOE OSTI2026

Silicon-On-Sapphire Metasurfaces Generate Arrays of Dark and Bright Traps for Neutral Atoms

We demonstrated crystalline silicon-on-sapphire (c-SOS) metasurfaces that convert a Gaussian beam into arrays of complex optical traps, including arrays of optical bottle beams that trap atoms in dark regions interleaved with bright tweezer arrays. The high refractive index and indirect band gap of crystalline silicon make it possible to design high-resolution near-infrared (λ > 700 nm) metasurfaces that can be manufactured at scale using CMOS-compatible processes. Compared with active components like spatial light modulators (SLMs) that have become widely used to generate trap arrays, metasurfaces provide an indefinitely scalable number of pixels, enabling large arrays of complex traps in a very small form factor, as well as reduced dynamic noise. To design metasurfaces that can generate three-dimensional bottle beams to serve as dark traps, we modified the Gerchberg-Saxton algorithm to enforce complex-amplitude profiles at the focal plane of the metasurface and to optimize the uniformity of the traps across the array. We fabricated and measured c-SOS metasurfaces that convert a Gaussian laser beam into arrays of bright traps, dark traps, and interleaved bright/dark traps.

Gerchberg-Saxton↗

DOE OSTI2024

A Semi‐Mechanistic Model for Partitioning Evapotranspiration Reveals Transpiration Dominates the Water Flux in Drylands

Abstract Popular evapotranspiration (ET) partitioning methods make assumptions that might not be well‐suited to dryland ecosystems, such as high sensitivity of plant water‐use efficiency (WUE) to vapor pressure deficit (VPD). Our objectives were to (a) create an ET partitioning model that can produce fine‐scale estimates of transpiration (T) in drylands, and (b) use this approach to evaluate how climate controls T and WUE across ecosystem types and timescales along a dryland aridity gradient. We developed a novel, semi‐mechanistic ET partitioning method using a Bayesian approach that constrains abiotic evaporation using process‐based models, and loosely constrains time‐varying WUE within an autoregressive framework. We used this method to estimate daily T and weekly WUE across seven dryland ecosystem types and found that T dominates ET across the aridity gradient. Then, we applied cross‐wavelet coherence analysis to evaluate the temporal coherence between focal response variables (WUE and T/ET) and environmental variables. At yearly scales, we found that WUE at less arid, higher elevation sites was primarily limited by atmospheric moisture demand, and WUE at more arid, lower elevation sites was primarily limited by moisture supply. At sub‐yearly timescales, WUE and VPD were sporadically correlated. Hence, ecosystem‐scale dryland WUE is not always sensitive to changes in VPD at short timescales, despite this being a common assumption in many ET partitioning models. This new ET partitioning method can be used in dryland ecosystems to better understand how climate influences physically and biologically driven water fluxes.

Environmental Sciences & Ecology↗

DOE OSTI2024

Bridging 20 Years of Soil Organic Matter Frameworks: Empirical Support, Model Representation, and Next Steps

Abstract In the past few decades, there has been an evolution in our understanding of soil organic matter (SOM) dynamics from one of inherent biochemical recalcitrance to one deriving from plant‐microbe‐mineral interactions. This shift in understanding has been driven, in part, by influential conceptual frameworks which put forth hypotheses about SOM dynamics. Here, we summarize several focal conceptual frameworks and derive from them six controls related to SOM formation, (de)stabilization, and loss. These include: (a) physical inaccessibility; (b) organo‐mineral and ‐metal stabilization; (c) biodegradability of plant inputs; (d) abiotic environmental factors; (e) biochemical reactivity and diversity; and (f) microbial physiology and morphology. We then review the empirical evidence for these controls, their model representation, and outstanding knowledge gaps. We find relatively strong empirical support and model representation of abiotic environmental factors but disparities between data and models for biochemical reactivity and diversity, organo‐mineral and ‐metal stabilization, and biodegradability of plant inputs, particularly with respect to SOM destabilization for the latter two controls. More empirical research on physical inaccessibility and microbial physiology and morphology is needed to deepen our understanding of these critical SOM controls and improve their model representation. The SOM controls are highly interactive and also present some inconsistencies which may be reconciled by considering methodological limitations or temporal and spatial variation. Future conceptual frameworks must simultaneously refine our understanding of these six SOM controls at various spatial and temporal scales and within a hierarchical structure, while incorporating emerging insights. This will advance our ability to accurately predict SOM dynamics.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Stress Field Dynamics and Fault Slip Potential in the Paradox Basin

Abstract The Paradox Basin, straddling Utah, Colorado, Arizona, and New Mexico is characterized by an intricate amalgamation of evaporites and clastic layers and is dominated by prominent salt walls and related subsurface structures. Our research offers a new examination of the stress distribution across the basin, deriving from continuous and discrete stress measurements conducted in boreholes in the region and focal mechanism analysis, emphasizing variations over salt structures. Integrating Coulomb failure criteria with probabilistic methods, we assess potential fault movements resulting from fluid pressure alterations. Our approach provides a comprehensive understanding of the Paradox Basin's state of stress, showing a continuous change of the maximum horizontal stress orientation from N‐S at the Wasatch Fault Zone to WNW‐ESE in the northern part of the Paradox Basin and to WSW‐ENE in the southern part of the basin. Further East, into the Colorado Plateau and the Uncompahgre Uplift, the S H max orientation becomes E‐W. Decoding stress orientation dynamics has enabled critical insights into fault slip potential, especially in the basin's northern region. The salt wall faults are less likely to slip, and the Paradox Formation's evaporite and clastic rock sequence can serve as a potential low seismic risk target for carbon storage and hydrocarbon extraction.

Geochemistry & Geophysics↗

DOE OSTI2025

Co‐Evolution of Specific Stiffness and Permeability of Rock Fractures Offset in Shear

Abstract Fractures and faults represent planes of weakness and compliance in rock masses that serve as focal points for both microearthquakes and fluid transport, with seismicity and permeability evolution closely linked. Contact stiffness is highly stress‐sensitive and directly influences permeability. We explore the co‐evolution of specific stiffness and permeability of rough fractures under normal stress and shear offset using numerical simulations. Individual rough fractures are represented by variable amplitude (Root mean square) and wavelength ( λ ) using a granular mechanics model. Contacting rough surfaces are mated, offset in shear, and then compacted in displacement mode. The compacting fractures generate stress‐dependent changes in contact porosity, which govern both permeability and stiffness evolution. We establish a universal dimensionless relationship linking specific stiffness and permeability that inherently incorporates the effects of surface roughness, shear offset, and microcracking. The observed cracking effect—where local stress redistribution and pressure‐driven microcrack propagation dynamically alter the aperture field—introduces a nonlinear permeability response at high stress. Increased roughness amplitude and larger shear offsets reduce stiffness while dampening permeability sensitivity to stress, demonstrating a strong interplay between surface texture and hydro‐mechanical behavior. While the model captures this behavior effectively, deviations emerge at very low porosities due to extreme aperture sensitivity in this limit.

He, Xinxin [Energy and Mineral Engineering Pennsyl↗

DOE OSTI2025

Fault Network Geometry Modulates Earthquake Source Spectra Across Scales

Earthquake source spectra provide unique insights into the earthquake rupture process. Motivated by previous research suggesting that complex fault geometries enhance high‐frequency seismic radiation, we study the influence of fault network geometry on earthquake source spectra using multiple independent observations. At regional scales, we examine correlations of stress drop measurements with surface fault trace misalignment in Southern California, Japan, and Central Italy. At a global scale, we examine correlations of moment‐rate function complexity of large earthquakes with focal mechanism variability, a proxy for local fault complexity. Despite significant scatter in the observations, we find overall consistent positive correlations. The concept that elastic interactions of discrete fault structures during the earthquake rupture process generates high‐frequency ground motions offers a coherent framework for interpreting our observations. These findings suggest that variations in fault complexity explain why some earthquakes produce stronger high‐frequency ground motions than others.

Lee, Jaeseok [Brown Univ., Providence, RI (United ↗

DOE OSTI2025

New proton emitter 188 At implies an interaction unprecedented in heavy nuclei

We report the discovery of a new atomic nucleus 188 At, which is the heaviest proton-emitting isotope known to date. The new activity was observed through the 107 Ag( 84 Sr, 3n) 188 At fusion-evaporation reaction using the focal-plane spectrometer of the gas-filled recoil separator in the Accelerator Laboratory of the University of Jyväskylä, Finland. To fully interpret the experimental data, we have expanded the non-adiabatic quasiparticle model to treat nuclei in the beyond-lead region. The description reproduced the measured decay rate and pointed towards emission from an extremely prolate-deformed state with a dominant s 1/2 proton component in the wave function. The Thomas-Ehrman shift can be enhanced in low angular momentum states, but such effects have not been observed in heavy nuclei. The single-proton separation energy of 188 At deviates from that extrapolated from the systematics, which can be interpreted as the first evidence of this effect in heavy nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Polyhydroxyalkanoates in emerging recycling technologies for a circular materials economy

Circular polymer systems, specifically polyesters operating through chemical and biological technologies, are approaching a critical moment of industrial adoption and scale-up feasibility. At the same time, polyhydroxyalkanoate (PHA) production, scale-up, and resulting material development is converging toward commodity applications. The current PHA end-of-life philosophy, however, focalizes leveraging inherent biodegradability to circumvent plastic waste accumulation. If indeed a substantial replacement of incumbent single-use plastics with PHA alternatives is to be met in commercial manufacture, we emphasize the importance of linking PHA development with feasible polymer recycling technologies. In other words, a PHA materials economy is significantly more carbon- and cost-favorable when efficient mechanical (reprocessing), chemical (deconstruction, depolymerization), or biological (enzymatic) recycling is prioritized over biodegradation or composting. In this perspective, we discuss strategies for PHA recyclable-by-design principles, guidable by developing machine learning tools, as well as material compatibility with closed-loop recycling technologies. Additionally, we posit compelling life-cycle assessment incentives for adopting polymer reclamation over competing pathways. Ultimately, we hope this narrative further inspires the alignment between PHA design with growing calls for a circular material economy.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Bypassing sulfides: comparing the morphology and performance of solution processed Cu(In,Ga)Se 2 films prepared via two selenide molecular precursor routes

Solution-processing of thin-film photovoltaics offers an alternative to vacuum-deposition based approaches. The amine–thiol reactive solvent system has become a focal point for the solution-processing of chalcogenide species, owing to the convenience of precursor preparation and comparatively high performance of prepared devices. Selenide species prepared via the amine–thiol route typically progress through a sulfide intermediate phase, and as such are commonly afflicted with sulfur and carbon impurities along- side the presence of a carbonaceous fine-grained layer. Here, two routes of preparing films directly to a selenide phase are examined; first by the co-dissolution of selenium in an amine–thiol solution and second via the novel use of reactive alkylammonium polyselenides. Lamella are cut from these selenide precursor films and final devices, and STEM-EDX and TEM are used to characterize film morphology and secondary phases. A champion device efficiency of 11.2% is reported for the novel polyselenide route, and clear paths of improvement are identified.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Localized phase contrast imaging at the Wendelstein 7-X stellarator

In its basic form, phase contrast imaging (PCI) provides line-integrated measurements of electron density fluctuations in plasmas. As turbulent fluctuations in magnetically confined plasmas have wave vectors almost perpendicular to the background magnetic field, the signals scattered by fluctuations from different parts of the PCI line-of-sight (LoS) are spatially separated in focal planes of the plasma. This allows localized PCI measurements by placing a mask in such a plane, to only permit signals from specific parts of the LoS to reach the PCI detectors. The present paper describes modeling and design of localization masks for the PCI system at the Wendelstein 7-X (W7-X) stellarator as well as the first results obtained using the masks in the recent long-pulse W7-X experimental campaign. During this project, we have extended the theory describing the mask response within the Fraunhofer diffraction model. As a novel development, we show from first principles that the mask response is determined by the fraction of power of the scattered beam spots that passes the mask. These insights have been used to select the W7-X mask design, consisting of a circular cutout, allowing the unscattered beam spot to pass the mask, with wedges covering a fixed angular range outside the central cutout. In the recent W7-X experimental campaign, the masks have verified the location of the main turbulence features observed by the PCI system and provided new information about the location of short-wavelength magnetohydrodynamic modes.

Physics↗

DOE OSTI2024

The next-generation magnetic recoil spectrometer (MRSnext) on OMEGA and NIF for diagnosing ion temperature, yield, areal density, and alpha heating

The next-generation magnetic recoil spectrometer (MRSnext) is being designed to replace the current MRS at the National Ignition Facility and OMEGA for measurements of the neutron spectrum from an inertial confinement fusion implosion. The MRSnext will provide a far-superior performance and faster data turnaround than the current MRS systems, i.e., a 2× and 6× improvement in energy resolution at the NIF and OMEGA, respectively, and 20× improvement in data turnaround time. The substantially improved performance of the MRSnext is enabled by using electromagnets that provide a short focal plane (12–16 cm) and unprecedented flexibility for a wide range of applications. In addition to being able to measure neutron yield, apparent ion temperature, areal density, and plasma-flow velocity over a wide range of yields, the NIF MRSnext will be able to directly, uniquely assess the alpha heating of the fuel ions through measurements of the alpha knock-on tail in the neutron spectrum. The goal is to implement a radiation-hard electronic detection system capable of providing rapid data acquisition and analysis. The development of the MRSnext will also set the foundation for the more advanced, time-resolving MRSt and serve as a testbed for its implementation on the NIF.

47 OTHER INSTRUMENTATION↗

DOE OSTI2024

Dephasing of ion beams as magnetic vortex acceleration regime transitions into a bubble-like field structure

The interaction of an ultra-intense laser pulse with a near critical density target results in the formation of a plasma channel, a strong azimuthal magnetic field and moving vortices. An application of this is the generation of energetic and collimated ion beams via magnetic vortex acceleration. The optimized regime of magnetic vortex acceleration is becoming experimentally accessible with new high intensity laser beamlines coming online and advances made in near critical density target fabrication. The robustness of the acceleration mechanism with realistic experimental conditions is examined with three-dimensional simulations. Of particular interest is the acceleration performance with different laser temporal contrast conditions, in some cases leading to pre-expanded target profiles prior to the arrival of the main pulse. Preplasma effects on the structure of the accelerating fields are explored, including a detailed analysis of the ion beam properties and the efficiency of the process. Improved scaling laws for the magnetic vortex acceleration mechanism, including the laser focal spot size effects, are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

On the role of self-generated magnetic fields in focused ion beams driven by intense picosecond laser pulses

We investigate the physics of ion beam focusing in the interaction of intense picosecond laser pulses with concave foils, using two-dimensional particle-in-cell simulations. Curved targets have been observed to deliver brighter multi-MeV ion beams than flat targets, and they could be used to ignite pre-compressed ICF fusion capsules in a scheme called ion fast ignition. Focusing is achieved by shaping the target and relying on an ion acceleration mechanism in which the ions are accelerated normal to the target surface; subsequently, the plasma expansion grows magnetic fields that advect with the plasma and deflect ions away from the target symmetry axis, causing the focal spot to shift downstream from its geometric location. The drop in both electric and magnetic field strengths in the expanding plasma makes the ion beam envelope asymmetric with respect to the focusing plane.

Focused ion beam↗