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DOE OSTI2026

Mapping the Perseus galaxy cluster with XRISM: Gas kinematic features and their implications for turbulence

We present extended gas kinematic maps of the Perseus cluster based on a combination of five new XRISM/Resolve pointings observed in 2025 with four performance verification datasets from 2024, totaling a net exposure of 745 ks. To date, Perseus remains the only cluster that has been extensively mapped out to ≃0.7 r 2500 by XRISM/Resolve, while simultaneously offering sufficient spatial resolution to resolve gaseous substructures driven by mergers and active galactic nucleus (AGN) feedback. Our observations cover multiple radial directions and a broad range of dynamical scales, enabling us to characterize the kinematic properties of the intracluster medium up to a scale of ∼500 kpc. In the measurements, we detected high-velocity dispersions (≃300km s −1 ) in the eastern region of the cluster that are spatially coincident with the extended X-ray surface brightness excess and correspond to a nonthermal pressure fraction of ≃7 − 13%. The velocity field outside the AGN-dominant region can be effectively described by a single, large-scale kinematic driver based on the velocity structure function, which statistically favors an energy injection scale of at least a few hundred kpc. The estimated turbulent dissipation energy is comparable to the gravitational potential energy released by a recent merger, implying a significant role of turbulent cascade in the merger energy conversion. In the bulk velocity field, we observed a dipole-like pattern along the east-west direction with an amplitude of ≃ ± 200 − 300 km s −1 , indicating rotational motions induced by the recent merger event. This feature constrains the viewing direction to ≃30° −50° relative to the normal of the merger plane. Our hydrodynamic simulations suggest that Perseus has experienced at least two energetic mergers since redshift z ∼ 1, the most recent of which is associated with the radio galaxy IC310, in agreement with recent SRG/eROSITA findings. This study showcases exciting scientific opportunities for future missions with high-resolution spectroscopic capabilities (e.g., HUBS, LEM, and NewAthena).

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2025

Alpha-relaxation by scattering and medium-range atomic correlation in simple liquids

The relaxation dynamics of liquid and glass can be studied by inelastic x-ray or neutron scattering through the intermediate scattering function F(Q, t), where Q is the momentum transfer of scattering. Because of the time-consuming nature of these measurements, F(Q, t) is usually measured only at the first peak of the structure function S(Q), and its principal decay time is referred to as the α-relaxation time τ α . τ α is generally considered to describe the relaxation time of the bulk, which is related to viscosity and is controlled by the atomic cage around an atom. Here, through simulations on metallic liquids, we show that the α-relaxation time determined by scattering experiments does not purely reflect viscosity but is influenced by changes in spatial cooperativity. We also demonstrate that atomic caging is not exerted by the nearest neighbors but involves more cooperative atomic dynamics of the atomic medium-range order.

Glass transitions↗

DOE OSTI2026

Cryogenic electron tomography by the numbers: Charting underexplored lineages in structural cell biology

Imaging cells and their interactions across the whole biosphere with molecular-scale resolution is key for understanding structure–function relations. Cryogenic electron tomography (cryo-ET) is a powerful method for obtaining this critical information. However, cryo-ET studies are challenging and often limited to a small number of cell types per study. Here, we collate cryo-ET data from hundreds of cells and tissues across the biosphere to i) identify emerging methodological trends, ii) pinpoint strategies to reduce imaging time and costs, iii) quantitatively compare methods for cell freezing and sectioning, and iv) census cryo-ET species coverage across all domains of life. Comparing the fraction of cellular material within a single lamella across all domains of life reveals an order of magnitude difference between eukaryotes (1%) compared to bacteria (9%) and archaea (14%). We calculate the fraction of cellular material which can be imaged using distinct sectioning methods on multicellular communities and tissues—identifying serial lift-out as a powerful approach for obtaining more complete cellular depictions. Finally, we show that the biodiversity of current cryo-ET studies is 2 to 3 orders of magnitude lower than in sequence libraries and 4 to 5 lower than the total predicted on Earth. Our analyses reveal major evolutionary lineages which remain critically understudied and highlight where future cryo-ET research would be most impactful.

HPF↗

DOE OSTI2026

Short and medium range structure in elastic deformation of metallic and covalent glasses

Here, we present a concise methodology to analyze structural response to the applied stress in amorphous solids, including metallic glasses (MG), glassy selenium, silica and polycarbonate, using high energy x-ray diffraction and atomic pair distribution function (PDF) analysis. To assess the structural anisotropy induced by applied axial stress, diffraction data were expanded into spherical harmonics. Using Bessel transformation, components of the structure function were converted into isotropic and anisotropic PDFs. The PDFs were compared to the expected model behavior for ideal elastic deformation to separate homogeneous affine strain from local non-affine strains. In metallic glass the range of non-affine deformation is limited to the nearest neighbor shell, suggesting local strain relaxation under stress that occurs even in the elastic regime. Beyond the second atomic shell strain is uniform. However, in glassy silica, polycarbonate and selenium strong local bonding inhibits local displacements and strain in short range order is accommodated by rotation of local units. Interestingly, beyond a molecular unit, deformation in covalent systems is similar to MG, and response of the medium range order scales with the macroscopic stress.

glassy structure↗

DOE OSTI2025

Multidimensional measurements of beam single-spin asymmetries in semi-inclusive deep-inelastic charged-kaon electroproduction off protons in the valence region

Measurements of beam single-spin asymmetries in semi-inclusive deep-inelastic electron scattering (SIDIS) with positively charged kaons off protons have been performed with 10.6 and 10.2 GeV incident electron beams using the CLAS12 spectrometer at Jefferson Lab. We report an analysis of the electroproduction of positively charged kaons over a large kinematic range of fractional energy, Bjorken 𝑥, transverse momentum, and photon virtualities 𝑄 2 ranging from 1 GeV 2 up to 6 GeV 2 . This is the first published multidimensionally binned CLAS12 measurement of a kaon SIDIS single-spin asymmetry in the valence quark regime. The data provide constraints on the structure function ratio $𝐹^{sin \space𝜙}_{𝐿⁢𝑈}$⁡/$𝐹_{𝑈⁢𝑈}$, where $𝐹^{sin \space𝜙}_{𝐿⁢𝑈}$ is a quantity with a leading twist of twist-3 that can reveal novel aspects of the quark-gluon correlations within the nucleon. The impact of the data on understanding the underlying reaction mechanisms and their kinematic variation is explored using theoretical models for the different contributing twist-3 parton-distribution functions (PDFs) and fragmentation functions (FFs).

form factors↗

DOE OSTI2026

Small-𝑥 Factorization in the Target Fragmentation Region

We consider the differential cross-section for single-inclusive jet production with transverse momentum 𝑃 ⊥ in deep inelastic scattering at small Bjorken 𝑥 Bj , mediated by a virtual photon with virtuality 𝑄 2 . Unlike most studies at small 𝑥, which focus on particle production in the current fragmentation region, we investigate the kinematic regime where the jet is produced in the target fragmentation hemisphere of the Breit frame, and with 𝑃 ⊥ ≪ 𝑄. For a longitudinally polarized photon, we demonstrate that this cross section is not power suppressed in 𝑃 ⊥ /𝑄 and we derive a factorized expression in terms of extended quark and gluon jet fracture functions. Our formula, valid at next-to-leading order in 𝛼 𝑠 at small 𝑥, is akin to the Altarelli-Martinelli identity for the longitudinal DIS structure function. Numerical estimates show that the extended quark jet fracture function is the most sensitive to saturation effects in large nuclei.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Constraining neutrino-nucleon form factors with charged-current scattering at the Electron-Ion Collider

Next-generation neutrino oscillation experiments such as the Deep Underground Neutrino Experiment require percent-level knowledge of neutrino-nucleon interaction cross sections. The nucleon axial form factor 𝐹 𝐴 ⁡(𝑄 2 ), parametrized by the axial mass 𝑀 𝐴 , is the dominant source of uncertainty in the quasielastic channel, and the parity-violating structure function 𝑥⁢𝐹 3 is poorly constrained on free nucleons. We propose using charged-current (CC) electron-proton scattering at the Electron-Ion Collider (EIC) to address both problems simultaneously. The measurement exploits three key features of the EIC: (1) helicity-selective electron bunches provide in situ electromagnetic background rejection; (2) a longitudinally polarized proton target enables extraction of 𝐹 𝐴 ⁡(𝑄 2 ) through the target-spin asymmetry 𝐴 𝑈⁢𝐿 ; and (3) the 𝑦-distribution leverage in CC deep inelastic scattering (DIS) separates 𝐹 2 and 𝑥⁢𝐹 3 on a free proton, without nuclear corrections. Using a Fisher information analysis at $\sqrt{𝑠}$ =141 GeV with 500 fb −1 of integrated luminosity, we project the Cramér-Rao statistical floor of 𝛿⁢𝑀 𝐴 ≈0.03 GeV (3%). Incorporating first-order realistic detector effects, such as zero-degree calorimeter acceptance, 𝑄 2 smearing (5%), and background noise from helicity subtraction, the projected sensitivity is severely background-limited due to the small signal-to-background ratio (𝑆/𝐵 ≈ 3 ×10 −4 ) in the elastic channel. Achieving competitive sensitivity (𝛿⁢𝑀 𝐴 ≈ 0.14 GeV) would require ∼10 −7 background suppression, 3 orders of magnitude beyond current projections. The CC DIS 𝑦 distribution provides subpercent extraction of 𝑥⁢𝐹$^{𝑊^{−}}_{3}$ over 0.05 < 𝑥 < 0.5, representing the most robust electroweak measurement in the near term.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Isospin dependence of the nuclear EMC effect from a global QCD analysis

We perform a new global QCD analysis of unpolarized parton distribution functions (PDFs) in the nucleon from proton, deuteron, and A = 3 data, including recent measurements of He 3 / D and H 3 / D cross section ratios from the MARATHON experiment at Jefferson Lab. Simultaneously inferring the PDFs and nucleon off-shell corrections allows both to be determined consistently, without theoretical assumptions about the isospin dependence of nuclear effects. The analysis provides strong evidence for the need of nucleon off-shell corrections to describe the A = 3 data, with large isoscalar and a suggestion of nonzero isovector contributions in A ≤ 3 nuclei. We find that the extracted EMC ratios of nuclear to nucleon structure functions for A = 2 and 3 differ from those naively extrapolated from heavy nuclei down to low A .

Cocuzza, C. [William & Mary] (ORCID:00000003492292↗

DOE OSTI2025

Spin-dependent dark matter scattering in quasi-two-dimensional magnets

We study the prospects of detecting dark matter coupled to the spin of the electron, such that it may scatter and excite magnons—collective excitations of electronic spins. We show that materials exhibiting long-range magnetic order where the spins are coupled only along a plane may act as directional dark matter detectors. These quasi-two-dimensional materials possess anisotropic dispersion relations and structure functions which induce a sidereal modulation in the excitation rate. We calculate the expected signal rate for some candidate (anti)ferromagnets, demonstrating a possible route to the direct detection of spin-dependent dark matter in the keV to MeV mass range.

Dark matter direct detection↗

DOE OSTI2025

Experimental scheme for polarizing boron nuclei

Unraveling the internal structure of hadrons and nuclei in terms of the quarks and gluons of quantum chromodynamics is a central focus of current nuclear physics research. Directly observing gluonic states in the nucleus would be groundbreaking and is an objective of the future Electron-Ion Collider (EIC). Over 30 years ago, Jaffe and Manohar [R. L. Jaffe and A. Manohar, Phys. Lett. B 223 , 218 (1989)] identified a new double-helicity flip structure function, directly sensitive to exotic gluons. They pointed out that this could be measured in inclusive high-energy electron scattering from a transversely polarized nuclear target with spin 𝐼 ≥ 1. Here, in this work, we identify the spin-3 nucleus boron-10 as a particularly interesting system to search for exotic gluons. Leveraging technical advances in atomic physics over the past decade, we outline an experimental scheme to directly optically pump a beam of stable boron atoms to polarize the nuclear spin. Technical challenges to realize a spin-polarized beam of boron-10 in the EIC are discussed. The proposed scheme will also polarize the 11 B nucleus, which could significantly enhance the proton-boron fusion cross section.

atomic spectra↗

DOE OSTI2025

Destabilizing a Social Network Model via Intrinsic Feedback Vulnerabilities

Social influence plays a significant role in shaping individual sentiments and actions, particularly in a world of ubiquitous digital interconnection. The rapid development of generative artificial intelligence (AI) has given rise to well-founded concerns regarding the potential implementation of radicalization techniques in social media. Motivated by these developments, we present a case study investigating the effects of small but intentional perturbations on a simple social network. We employ Taylor's classic model of social influence and tools from robust control theory (most notably the Dynamical Structure Function (DSF)), to identify perturbations that qualitatively alter the system's behavior while remaining as unobtrusive as possible. We examine two such scenarios: perturbations to an existing link and perturbations that introduce a new link to the network. In each case, we identify destabilizing perturbations of minimal norm and simulate their effects. Remarkably, we find that small but targeted alterations to network structure may lead to the radicalization of all agents, exhibiting the potential for large-scale shifts in collective behavior to be triggered by comparatively minuscule adjustments in social influence. Given that this method of identifying perturbations that are innocuous yet destabilizing applies to any suitable dynamical system, our findings emphasize a need for similar analyses to be carried out on real systems (e.g., real social networks), to identify the places where such dynamics may already exist.

Rogers, Lane [ORNL]↗

DOE OSTI2025

Proximal remote sensing: an essential tool for bridging the gap between high‐resolution ecosystem monitoring and global ecology

Summary A new proliferation of optical instruments that can be attached to towers over or within ecosystems, or ‘proximal’ remote sensing, enables a comprehensive characterization of terrestrial ecosystem structure, function, and fluxes of energy, water, and carbon. Proximal remote sensing can bridge the gap between individual plants, site‐level eddy‐covariance fluxes, and airborne and spaceborne remote sensing by providing continuous data at a high‐spatiotemporal resolution. Here, we review recent advances in proximal remote sensing for improving our mechanistic understanding of plant and ecosystem processes, model development, and validation of current and upcoming satellite missions. We provide current best practices for data availability and metadata for proximal remote sensing: spectral reflectance, solar‐induced fluorescence, thermal infrared radiation, microwave backscatter, and LiDAR. Our paper outlines the steps necessary for making these data streams more widespread, accessible, interoperable, and information‐rich, enabling us to address key ecological questions unanswerable from space‐based observations alone and, ultimately, to demonstrate the feasibility of these technologies to address critical questions in local and global ecology.

Plant Sciences↗

DOE OSTI2025

Secure biosystems design in Saccharomyces cerevisiae establishes effective biocontainment strategies and mechanisms of escape

The widespread application of recombinant DNA and synthetic biology approaches for microbial metabolic engineering pursuits has motivated the development of biocontainment strategies, targeting safe and secure deployment of genetically modified microorganisms (GMMs). However, the design rules and mechanistic drivers governing biocontainment efficacy, as well as impacts of biocontainment upon microbial fitness, remain to be comprehensively evaluated, hindering predictive design and application of these strategies. We have developed a platform for high-resolution analysis of a transactivated kill switch in laboratory and industrial strains of Saccharomyces cerevisiae to assess modes of biocontainment escape and establish design rules for development of kill switch systems in diverse microbes. A camphor-regulated, RelE toxin system was systematically deployed to assess the impacts of differential kill switch copy number and ploidy in laboratory vs industrial strains. CRISPR-mediated integration of the biocontainment system at various loci revealed rapid escape events driven, in part, by mutations to both the Cam-transactivator (cam-TA) and RelE toxin. Genetic engineering enabled recapitulation of escape phenotypes, confirming mechanisms of escape and establishing structure-function relationships in the cam-TA system. Interestingly, genomic resequencing of escape mutants also revealed a series of off-target mutations, implicating additional modes of kill switch escape. Multi-copy integration of the kill switch system mitigated these effects by orders of magnitude, without compromising the biosynthetic capacity of the microbes, but proved insufficient to establish sustained biocontainment. The resultant data define a series of key design rules for next-generation biocontainment strategies and add to a growing foundational knowledge base targeting establishment of secure biosystems designs.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2025

Structural and functional analyses of SARS-CoV-2 Nsp3 and its specific interactions with the 5’ UTR of the viral genome

ABSTRACT Non-structural protein 3 (Nsp3) is the largest open reading frame encoded in the SARS-CoV-2 genome, essential for the formation of double-membrane vesicles (DMV) wherein viral RNA replication occurs. We conducted an extensive structure-function analysis of Nsp3 and determined the crystal structures of the ubiquitin-like 1 (Ubl1), nucleic acid binding (NAB), β-coronavirus-specific marker (βSM) domains, and a sub-region of the Y domain of this protein. We show that the Ubl1, ADP-ribose phosphatase (ADRP), human SARS Unique (HSUD), NAB, and Y domains of Nsp3 bind the 5’ UTR of the viral genome and that the Ubl1 and Y domains possess affinity for recognition of this region, suggesting high specificity. The Ubl1-Nucleocapsid (N) protein complex binds the 5’ UTR with greater affinity than the individual proteins alone. Our results suggest that multiple domains of Nsp3, particularly Ubl1 and Y, shepherd the 5’ UTR of the viral genome during translocation through the DMV membrane, priming the Ubl1 domain to load the genome onto N protein. IMPORTANCE The largest protein encoded by the SARS-CoV-2 genome is Nsp3. In infected cells, this multi-domain protein forms a pore structure in the virus-induced double-membrane vesicles (DMV). We have incomplete data on Nsp3 molecular structure, and here, we describe crystal structures for multiple domains of Nsp3. It is thought that newly replicated viral RNA transits through the DMV pore; however, we possess incomplete data on which regions of Nsp3 actually interact with RNA. Here, we present data showing that five domains of Nsp3 interact with the 5’ UTR of the SARS-CoV-2 RNA, including the Y domain for which no function has ever been discovered. These data suggest that the pore structure plays an active role in recognizing the terminal end of the genome, transiting and loading the viral RNA onto the cytoplasmic nucleocapsid protein. These data help expand our knowledge of Nsp3 structure and function and the SARS-CoV-2 replication cycle.

Microbiology↗

DOE OSTI2026

Uniting Theory and Experiment to Deliver Flexible MOFS for Superior Methane (NG) Storage

The objective of the project was to use previous insights developed through synthesis and quantitative modeling of rigid metal–organic frameworks (MOFs) in an established synergistic theoretical/experimental team to create, modify, and evaluate flexible MOFs (FlexMOFs) for natural gas (NG) storage and release at practically useful pressures and transform the NG storage economy. The goal was reduced pressure absorbed natural gas (ANG) FlexMOF storage at operating pressures less than 100 bar with physisorption exploiting the favorable thermodynamics and kinetics of flexible porous material opening in response to adsorption. Hydrogen behavior in this context was also considered. The specific aim of the project was to design and develop a standard computational modeling methodology for, first, detailed atomistic retrodiction of FlexMOF gating behavior and ultimately prediction of the effects of functionalization and/or substitution on structural transitioning. The project was also geared towards the establishment of the interaction of methane with the framework and binding sites using modeling and the FlexMOF will be both internally and external validated as a SMART metric. This has value to the scientific community both from the obvious standpoint of providing a better understanding of the promising test case systems (CdIF-13 and the MIL-53(Al) series of MOFs), but also in providing an avenue of obtaining insight into these FlexMOF systems in general, which is of particular interest given the tendency of structure-function correlation to lag behind synthesis methodology (making the latter a hit or miss proposition for applications). This gap remains significant for FlexMOF systems whose gate opening behaviors complicate computational examination. The computational methodologies are relatively inexpensive in terms of both money and computational resources enhancing the general viability of these methodologies. The ultimate gain to the public will be in the application of these techniques to design systems for natural gas storage and use to cut down on green-house emissions.

03 NATURAL GAS↗

DOE OSTI2025

Cross-species analysis of FcγRIIa/b (CD32a/b) polymorphisms at position 131: structural and functional insights into the mechanism of IgG- mediated phagocytosis in human and macaque

Introduction Antibodies play a critical role in immunity in part by mediating clearance of pathogens and infected cells by antibody-dependent cellular phagocytosis (ADCP) through engagement of Fc gamma receptors (FcγRs) on innate immune cells. Among these, FcγRIIa (CD32a) is a key activating receptor expressed on macrophages, dendritic cells, and other antigen-presenting cells. Its affinity for IgG and ability to mediate ADCP is influenced by allelic polymorphisms. In humans, a single amino acid polymorphism at position 131, where histidine (H) is substituted with arginine (R), leads to decreased IgG1 and IgG2 subclass binding affinity and, consequently, lower efficiency of phagocytic responses. Rhesus macaques ( Macaca mulatta ), which are widely used as nonhuman primate models, exhibit a similar polymorphism at position 131 of FcγRIIa, but with arginine replaced by proline (P). Here, we investigated structure-function relationships associated with the FcγRIIa polymorphism at position 131 in both species, specifically with respect to IgG1 and IgG2. Methods We determined the structures of complexes formed by each variant with IgG1 Fc and those formed by the higher affinity variant with IgG2 Fc for both species by x-ray crystallography and linked these structures to affinity and activity using SPR and an ADCP assay. We also determined the structure of human inhibitory FcγRIIb (CD32b) in complex with IgG1 Fc by x-ray crystallography. Results Through analysis of these structures, our studies reveal that FcγRIIa engagement is minimally influenced by Fc glycan composition, distinguishing it from FcγRIIIa whose affinity is strongly influenced by glycan-composition. Comparative structures of human and macaque FcγRIIa variants demonstrate species- and allele-specific differences in Fc binding, but our functional assays showed only minimal allele-specific effects in humans. In contrast, allele-specific effects in macaques were highly significant; the macaque P 131 variant showing uniformly reduced IgG affinity. Conclusion These insights highlight fundamental interspecies and allelic distinctions that are critical for interpreting FcγRIIa-mediated effector functions in macaque models and for optimizing translational antibody and vaccine design.

Tolbert, William D.↗

DOE OSTI2026

Tuning Methanol Transformation Pathways for Sustainable Steam Reforming: Na-Promotion Effects on Ag/m-ZrO 2 Catalysts

This work investigates the influence of sodium promotion on Ag/m-ZrO 2 catalysts for methanol steam reforming (MSR), focusing on activity, selectivity, surface chemistry, and mechanistic pathways. Temperature programmed reduction (TPR), XANES/EXAFS, CO 2 TPD, DRIFTS, and temperature programmed surface reaction methods were combined with fixed bed MSR testing to develop an integrated structure–function understanding of Na-modified Ag-ZrO 2 interfaces. Na addition systematically increases surface basicity, stabilizes strongly basic O 2− sites, and weakens the ν(CH) vibrational mode of surface formate, thereby facilitating C–H bond scission and accelerating decarboxylation to CO 2 . At moderate promoter levels (0.5–1.0 wt.% Na), the catalysts show significantly enhanced CO 2 selectivity and increased conversion relative to unpromoted Ag/m-ZrO 2 , while CH 4 formation remains negligible. Excessive Na (≥1.8 wt.%) leads to slower formate decomposition, greater carbonate stabilization, and suppressed conversion, revealing a narrow optimum around 1 wt.% Na. Short-term stability testing demonstrates steady conversion and product selectivity for both unpromoted and Na-promoted catalysts, with the latter maintaining markedly higher CO 2 selectivity. Although Pt/YSZ retains far superior intrinsic activity at ~10× higher space velocity, Ag offers a cost-advantaged alternative where lower cost metals are desirable. Collectively, these findings show that Na promotion enables tunable MSR selectivity on Ag/m-ZrO 2 by directing formate decomposition toward the CO 2 -forming pathway.

CO2 selectivity↗

DOE OSTI2026

The Maximal Entanglement Limit in Statistical and High-energy Physics

These lectures advocate the idea that quantum entanglement provides a unifying foundation for both statistical physics and high-energy interactions. I argue that, at sufficiently long times or high energies, most quantum systems approach a Maximal Entanglement Limit (MEL) in which phases of quantum states become unobservable, reduced density matrices acquire a thermal form, and probabilistic descriptions emerge without invoking ergodicity or classical randomness. Within this framework, the emergence of probabilistic parton model, thermalization in the break-up of confining strings and in high-energy collisions, and the universal small-x behavior of structure functions arise as direct consequences of entanglement and geometry of high-dimensional Hilbert space.

36 MATERIALS SCIENCE↗