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DOE OSTI2026

Ultrafast x-ray scattering of photodissociation dynamics in 2-iodothiophene

Here, a time-resolved x-ray scattering (TRXS) investigation of the photodissociation dynamics of gas-phase 2-iodothiophene molecules following 252 nm excitation is presented. Structural evolution of the molecule and dynamical information on the resulting photofragments were captured using femtosecond x-ray free-electron laser pulses. Two dissociation pathways were identified, arising via excitation to ππ* and (n/π)σ* states, respectively, yielding distinct interfragment recoil velocities of ∼6.4 Åps −1 and 17.0 Åps −1 . A comparison of asymptotic scattering data with simulated patterns indicates that the thiophene ring remains closed following dissociation at this wavelength. Modeling the experimental data yields a branching ratio of ∼3:1 in favor of the high velocity channel. These findings demonstrate the capability of TRXS to disentangle concurrent ultrafast reaction pathways and provide detailed structural insight into energy redistribution during photoinduced bond fission in complex molecular systems.

Razmus, Weronika O. [Univ. of Southampton (United ↗

DOE OSTI2026

Fragmentation dynamics of CS 2 dications and trications following S 2p ionization

Here, we present the results from a detailed study of the fragmentation dynamics of CS$_2^{2+}$ and CS$_2^{3+}$, formed in intense femtosecond soft x-ray pulses above the sulfur 2p edge, primarily through single core photoionization from the S 2p site, and subsequent Auger–Meitner decay(s). By combining three-dimensional velocity map imaging with covariance analysis, we determine the relative momenta of the ions produced in each two- and three-body fragmentation channel, at significantly higher ion count rates than conventional coincidence measurements. We shed new light on the wide range of fragmentation channels observed from the CS 2 dication and trication, including channels that involve ionization-induced bond formation and fragmentations producing undetected neutral cofragments. In the latter case, a “native frames” approach is used to isolate contributions from concerted and sequential fragmentations and extract dynamical information about each step of a concerted fragmentation process. While dications often fragment sequentially, the trication is dominated by concerted fragmentation. The main trication fragmentation channel into S + + C + + S + can be well-approximated by classical Coulombic simulations of the ground-state geometry distribution, reflecting both the nature of the trication potential energy surface and the rapid multiple ionization prior to substantial structural dynamics. This study demonstrates ways in which fundamental insights into the fragmentation dynamics of polycations following x-ray ionization may be extracted, which will be beneficial to future studies that employ time-resolved x-ray Coulomb explosion imaging to study ultrafast photochemistry.

Allum, Felix [Deutsches Elektronen-Synchrotron (DE↗

DOE OSTI2026

Distribution of 7 Li implants in Nb films for a sterile neutrino search

The Beryllium-7 Electron capture in Superconducting Tunnel junctions (BeEST) experiment searches for sub-MeV sterile neutrinos by measuring the 7 Li recoil spectrum from 7 Be decay in Ta-based superconducting quantum sensors. Its sensitivity is limited by spectral broadening from interactions between 7 Be/ 7 Li and the Ta host material. This study investigates Nb as an alternative sensor material using scanning transmission electron microscopy (STEM) and atom probe tomography (APT) on 7 Li-implanted Nb films (∼0.5 at. %). STEM shows no 7 Li cluster formation and no implantation-induced microstructural degradation, while APT reveals some limited 7 Li segregation to grain boundaries. Although this segregation may slightly influence binding energies, it is unlikely to affect the broadening of the recoil spectrum significantly. These findings support Nb as a viable sensor material for future phases of the BeEST experiment.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Neoclassical transport and profile prediction in transport barriers

Strong gradient regions in tokamaks, such as the pedestal or internal transport barriers, are regions of reduced turbulence where neoclassical transport can play a dominant role. However, standard neoclassical transport theory assumes that the gradient length scales of density, temperature, and potential are of the order of the system size. In the pedestal, gradient length scales are much shorter and are measured to be of the order of the ion poloidal gyroradius. We present an extension of neoclassical theory that is applicable in transport barriers of large aspect ratio tokamaks. We show that particle and momentum transport are connected in such a way that a source of parallel momentum can drive a significant neoclassical ion particle flux. In strong gradient regions, density, electric potential, mean parallel flow, and ion temperature are shown to no longer be flux functions. Instead, they have a small but important poloidally varying piece that modifies the transport equations to lowest order. This introduces a nonlinearity in the transport problem through the coupling with quasineutrality that yields multiple co-existing solutions when solving for the plasma profiles. The different solutions could be connected to low and high transport states and jumps between solutions could provide a new neoclassical explanation for H-L back-transitions.

Trinczek, Silvia [Princeton Plasma Physics Laborat↗

DOE OSTI2026

Correlational selection and genetic architecture shape the evolution of the leaf economics spectrum in a perennial grass

The generality of the worldwide leaf economics spectrum (LES) has made it a pillar of trait-based ecological research. Yet, few studies have examined the processes shaping the evolution of the LES within species, in part, because most species occupy only a small portion of the LES. Here, to address this gap, we took advantage of the distinct leaf economics strategies present in different ecotypes of the phenotypically diverse perennial grass Panicum virgatum (switchgrass) to generate a genetic mapping population, which we planted in common gardens at three sites spanning 12 degrees of latitude in the central United States. With this genetic mapping population, we evaluated two potentially interacting causes of LES evolution: 1) genetic architecture, where multiple traits are influenced by either the same gene (pleiotropy) or by genes in close physical proximity (genetic linkage), and 2) correlational selection, where selection acts on traits in combination rather than in isolation. We found that shared genetic architecture influenced covariation between photosynthetic rate (A MASS ) and leaf nitrogen (N MASS ) and between A MASS and leaf mass per area (LMA). We also found that correlational selection favored the trait combinations predicted by the LES (e.g., high LMA with low N MASS or low LMA with high N MASS ) and disfavored other, mismatched trait combinations at two of the three sites. Together, these results demonstrate how the evolution of an integrated LES within species can arise from multiple evolutionary causes.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2024

Quantitative x-ray scattering of free molecules

Advances in x-ray free electron lasers have made ultrafast scattering a powerful method for investigating molecular reaction kinetics and dynamics. Accurate measurement of the ground-state, static scattering signals of the reacting molecules is pivotal for these pump-probe x-ray scattering experiments as they are the cornerstone for interpreting the observed structural dynamics. Here, this article presents a data calibration procedure, designed for gas-phase x-ray scattering experiments conducted at the Linac Coherent Light Source x-ray Free-Electron Laser at SLAC National Accelerator Laboratory, that makes it possible to derive a quantitative dependence of the scattering signal on the scattering vector. A self-calibration algorithm that optimizes the detector position without reference to a computed pattern is introduced. Angle-of-scattering corrections that account for several small experimental non-idealities are reported. Their implementation leads to near quantitative agreement with theoretical scattering patterns calculated with ab-initio methods as illustrated for two x-ray photon energies and several molecular test systems.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2024

Time-resolved Auger–Meitner spectroscopy of the photodissociation dynamics of CS 2

The photodissociation dynamics of UV excited CS 2 are investigated using time-resolved Auger–Meitner (AM) spectroscopy. AM decay is initiated by inner-shell ionisation with a femtosecond duration x-ray (179.9 eV) probe generated by the FERMI free electron laser. The time-delayed x-ray probe removes an electron from the S(2p) orbital leading to secondary emission of a high energy electron through AM decay. We monitor the electron kinetic energy of the AM emission as a function of pump-probe delay and observe time-dependent changes in the spectrum that correlate with the formation of bound, excited-state CS 2 molecules at early times, and CS + S fragments on the picosecond timescale. The results are analysed based on a simplified kinetic scheme that provides a time constant for dissociation of approximately 1.2 ps, in agreement with previous time-resolved x-ray photoelectron spectroscopy measurements (Gabalski, et al 2023 J. Phys. Chem. Lett. 14 7126–7133).

Auger spectroscopy↗

DOE OSTI2024

Distinguishing the XUV-induced Coulomb explosion dynamics of iodobenzene using covariance analysis

The primary and secondary fragmentation dynamics of iodobenzene following its ionization at 120 eV were determined using three-dimensional velocity map imaging and covariance analysis. Site-selective iodine 4d ionization was used to populate a range of excited polycationic parent states, which primarily broke apart at the carbon-iodine bond to produce I+ with phenyl or phenyl-like cations (C n H x + or C n H, with n = 1 – 6 and x = 1 – 5). The molecular products were produced with varying degrees of internal excitation and dehydrogenation, leading to stable and unstable outcomes. This further allowed the secondary dynamics of C 6 H x 2+ intermediates to be distinguished using native-frame covariance analysis, which isolated these processes in their own centre-of-mass reference frames. Furthermore, the mass resolution of the imaging mass spectrometer used for these measurements enabled the primary and secondary reaction channels to be specified at the level of individual hydrogen atoms, demonstrating the ability of covariance analysis to comprehensively measure the competing fragmentation channels of aryl cations, including those involving intermediate steps.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Kaon physics: a cornerstone for future discoveries

The kaon physics programme, long heralded as a cutting-edge frontier by the European Strategy for Particle Physics, continues to stand at the intersection of discovery and innovation in high-energy physics (HEP). With its unparalleled capacity to explore new physics at the multi-TeV scale, kaon research is poised to unveil phenomena that could reshape our understanding of the Universe. This document highlights the compelling physics case, with emphasis on exciting new opportunities for advancing kaon physics not only in Europe but also on a global stage. As an important player in the future of HEP, the kaon programme promises to drive transformative breakthroughs, inviting exploration at the forefront of scientific discovery.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Centrifugal-mirror confinement with strong azimuthal magnetic field

One practical challenge for the centrifugal-mirror confinement concept is the large radial voltage necessary to drive supersonic azimuthal rotation. In principle, the addition of a strong azimuthal field could reduce the required voltage, since the simple azimuthal E x B drift would be replaced by more rapid azimuthal trapped-particle precession. Also, if the mirror ratio is large enough, newly ionized ions are accelerated to the necessary parallel velocities in their first bounce orbit, both confining and significantly heating them. Unfortunately, MHD analysis shows that the centrifugal-force-confining plasma current is purely azimuthal. This implies that only the axial magnetic field contributes to the confining magnetic pressure, severely limiting the usefulness of the azimuthal magnetic field in a beta-limited plasma scenario.

Grad-Shafranov↗

DOE OSTI2026

Theory of zonal flow growth and propagation in toroidal geometry

The toroidal geometry of tokamaks and stellarators is known to play a crucial role in the linear physics of zonal flows (ZFs), leading to e.g. the Rosenbluth–Hinton residual and geodesic acoustic modes. However, descriptions of the nonlinear ZF growth from a turbulent background typically resort to simplified models of the geometry. We present a generalised theory of the secondary instability to model the ZF growth from turbulent fluctuations in toroidal geometry, demonstrating that the radial magnetic drift substantially affects the nonlinear ZF dynamics. In particular, the toroidicity gives rise to a new branch of propagating ZFs, the toroidal secondary mode, which is nonlinearly supported by the turbulence. We present a theory of this mode and compare the theory against gyrokinetic simulations of the secondary mode. The connection with other secondary modes—the ion-temperature-gradient and Rogers–Dorland–Kotschenreuther secondary modes—is also examined.

Nies, Richard [Princeton Univ., NJ (United States)↗

DOE OSTI2026

First use of an InSb crystal for x-ray imaging spectroscopy of highly ionized tungsten in the Wendelstein 7-X stellarator

Advances in time and space resolved measurements of highly charged states of tungsten (W) through x-ray imaging spectroscopy have enabled investigation of impurity transport in the Wendelstein 7-X (W7-X) stellarator. The high-resolution x-ray imaging spectrometer (HR-XIS) system on W7-X utilizes the Bragg diffraction properties of a set of multiple crystals to measure a range of impurity emission lines within sections of the 1–7 Å wavelength range, including transitions of W. A new indium–antimonide crystal has been installed on the HR-XIS system to allow viewing of the 5.5–6.2 Å region focusing on emissions of W. Consequently, many bright W emission lines from W 40+ to W 47+ were observed in this wavelength range, both in plasmas with injected W and in those with only intrinsic W impurity sources, showing the high sensitivity of the diagnostic. Three W 46+ emissions correspond in wavelength and intensity with calculated photon emissivity coefficients and can be exploited for W transport and concentration applications in plasmas with T e ≳ 2.1 keV. Here, an estimate of the core W density behavior in two separate turbulence-reduced ‘high-performance’ (HP) discharges on W7-X is done using the 5.6893 Å W 46+ line. The n W behavior in HP scenarios can be explained by previous experimental results and neoclassical predictions.

XICS↗

DOE OSTI2024

Observation of $\gamma\gamma\to\tau\tau$ in proton-proton collisions and limits on the anomalous electromagnetic moments of the $\tau$ lepton

The production of a pair of τ leptons via photon–photon fusion, ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$, is observed for the first time in proton–proton collisions, with a significance of 5.3 standard deviations. This observation is based on a data set recorded with the CMS detector at the LHC at a center-of-mass energy of 13 TeV and corresponding to an integrated luminosity of 138 fb$^{−1}$. Events with a pair of τ leptons produced via photon–photon fusion are selected by requiring them to be back-to-back in the azimuthal direction and to have a minimum number of charged hadrons associated with their production vertex. The τ leptons are reconstructed in their leptonic and hadronic decay modes. The measured fiducial cross section of ${{\unicode{x03B3}\unicode{x03B3}\to\unicode{x03C4}\unicode{x03C4}}}$ is $\sigma^\text{fid}_\text{obs} = 12.4 ^{+3.8}_{-3.1}\,\textrm{fb}$. Constraints are set on the contributions to the anomalous magnetic moment (${a_{\unicode{x03C4}}}$) and electric dipole moments (${d_{\unicode{x03C4}}}$) of the τ lepton originating from potential effects of new physics on the $\unicode{x03B3}\unicode{x03C4}\unicode{x03C4}$ vertex: ${a_{\unicode{x03C4}}} = 0.0009_{-0.0031}^{+0.0032}$ and $|{d_{\unicode{x03C4}}}| \lt 2.9\times 10^{-17}\,{e}\,\textrm{cm}$ (95% confidence level), consistent with the standard model.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Model-agnostic search for dijet resonances with anomalous jet substructure in proton–proton collisions at $\sqrt{s}$ = 13 TeV

This paper presents a model-agnostic search for narrow resonances in the dijet final state in the mass range 1.8-6 TeV. The signal is assumed to produce jets with substructure atypical of jets initiated by light quarks or gluons, with minimal additional assumptions. Search regions are obtained by utilizing multivariate machine-learning methods to select jets with anomalous substructure. A collection of complementary anomaly detection methods - based on unsupervised, weakly supervised, and semisupervised algorithms - are used in order to maximize the sensitivity to unknown new physics signatures. These algorithms are applied to data corresponding to an integrated luminosity of 138 fb -1 , recorded by the CMS experiment at the LHC, at a center-of-mass energy of 13 TeV. No significant excesses above background expectations are seen. Exclusion limits are derived on the production cross section of benchmark signal models varying in resonance mass, jet mass, and jet substructure. Many of these signatures have not been previously sought, making several of the limits reported on the corresponding benchmark models the first ever. When compared to benchmark inclusive and substructure-based search strategies, the anomaly detection methods are found to significantly enhance the sensitivity to a variety of models.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2026

Combined measurements and interpretations of Higgs boson production and decay in proton–proton collisions at $\sqrt{s}$ = 13 TeV

Combined measurements of Higgs boson production and decay rates are reported, representing the most comprehensive study performed by the CMS Collaboration to date. The included analyses use proton–proton collision data recorded by the CMS experiment at $\sqrt{s}$ = 13 TeV from 2016 to 2018, corresponding to an integrated luminosity of 138 fb –1 . The statistical combination is based on analyses that measure the following decay channels: H → γγ, H → ZZ, H → WW, H → ππ, H → bb, H → μμ, and H → Zγ. Information in the events from each decay channel is used to target multiple Higgs boson production processes. Searches for invisible Higgs boson decays are also considered, as well as an analysis that measures off-shell Higgs boson production in the H → ZZ → 4$\ell$ ($\ell$ = e, μ) decay channel. The best fit inclusive signal yield is measured to be 1.014$^{+0.055}_{–0.053}$ times the standard model (SM) expectation, for a Higgs boson mass of 125.38 GeV. Measurements in kinematic regions defined by the simplified template cross section framework are also provided, as well as interpretations in the coupling modifier and SM effective field theory frameworks. The coupling modifier interpretation is further used to place constraints on various two-Higgs-doublet models. The results show good compatibility with the SM predictions for the majority of the measured parameters.

CMS↗

DOE OSTI2024

Impurity transport study based on measurement of visible wavelength high-n charge exchange transitions at W7-X

Abstract A recently installed high-speed charge exchange diagnostic at the W7-X stellarator has been used to identify several high-n Rydberg emission lines near 500 nm following impurity injections. The wavelengths of observed high-n Rydberg transitions are independent of the impurity species and originate from ions with ionization states ranging from 14+ to 45+ suggesting that this approach can be applied to a variety of heavy impurities. Moreover, little to no passive signal is observed since the high-n energy levels are unlikely to be populated by electron impact excitation. The combination of the newly developed diagnostic and the observation of high-n Rydberg states provides spatially resolved, high-speed measurements of multiple charge states which are analyzed in a Bayesian inference framework to determine both impurity diffusion and convection profiles. Measurements from the 2023 experimental campaign conclusively show high diffusion and an inward pinch in the core, well above predictions by neoclassical theory.

Physics↗

DOE OSTI2024

First experimental confirmation of island SOL geometry effects in a high radiation regime on W7-X

Abstract This work characterizes the detachment behavior and radiation characteristics of the lowiota configuration in the Wendelstein 7-X (W7-X) stellarator. The island scrape-off layer (SOL) of thelow iota has a poloidal mode number of 6 islands surrounding the last closed flux surface (LCFS).The island geometry of the low iota configuration is significantly different to that of the standardmagnetic field configuration, whose detachment characteristics have already been described in previouswork[2, 3, 4]. Experimental results show that the radiation pattern in the low iota configurationis starkly different to that of the standard magnetic field configuration, with radiation concentratedat the island SOL O-points, rather than the X-points. Additionally, this O-point localized radiationpattern is associated with unstable detachment, with both radiation oscillations in experiments and thelack of a self-consistent plasma solution at high radiated power fraction in EMC3-Eirene simulations.EMC3-Eirene simulations are used to understand the radiation distribution. It was found that the O-point localized radiation arises first from local impurity accumulation near the parallel flow stagnation,which is located close to the geometrical center of the island (”O-point”). The local cooling in thisregion leads to plasma condensation in the islands in closest magnetic connection to the divertor targetplates. The heat source to this region of the island, which is thermally isolated from the upstream heatsource in terms of parallel transport, must arise via perpendicular heat transport. This heat source isexpected to be large for the low iota configuration due to its very small internal island field line pitch.This work highlights the importance (complementary to previous work, e. g. [5, 6]) of the internalisland field line pitch not only on the radiation pattern, but also the detachment performance of theisland divertor.

Winters, Victoria (ORCID:0000000181087774)↗