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DOE OSTI2025

Measurement of directed flow in Au + Au collisions at $\sqrt{s{NN}}$ = 19.6 and 27 GeV with the STAR event plane detector

In heavy-ion collision experiments, the global collectivity of final-state particles can be quantified by anisotropic flow coefficients (𝑣 𝑛 ) . The first-order flow coefficient, also referred to as the directed flow (𝑣 1 ), describes the collective sideward motion of produced particles and nuclear fragments in heavy-ion collisions. It carries information on the very early stage of the collision, especially at large pseudorapidity (𝜂), where it is believed to be generated during the nuclear passage time. Directed flow therefore probes the onset of bulk collective dynamics during thermalization, providing valuable experimental guidance to models of the pre-equilibrium stage. In 2018, the Event Plane Detector (EPD) was installed in STAR and used for the Beam Energy Scan phase-II (BES-II) data taking. The combination of EPD (2.1 < |𝜂| < 5.1) and high-statistics BES-II data enables us to extend the 𝑣 1 measurement to the forward and backward 𝜂 regions. In this paper, we present the measurement of 𝑣 1 over a wide 𝜂 range in Au + Au collisions at $\sqrt{s_{NN}}$ = 19.6 and 27 GeV using the STAR EPD. The results of the analysis at $\sqrt{s_{NN}}$ = 19.6 GeV exhibit excellent consistency with the previous PHOBOS measurement, while elevating the precision of the overall measurement. The increased precision of the measurement also revealed finer structures in heavy-ion collisions, including a potential observation of the first-order event-plane decorrelation. Multiple physics models were compared to the experimental results. Only a transport model and a three-fluid hybrid model can reproduce a sizable 𝑣 1 at large 𝜂 as was observed experimentally. The model comparison also indicates 𝑣 1 at large 𝜂 might be sensitive to the QGP phase transition.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2023

The iron oxidation state of Ryugu samples

The Hayabusa2 mission sampled Ryugu, an asteroid that did not suffer extensive thermal metamorphism, and returned rocks to the Earth with no significant air exposure. It therefore offers a unique opportunity to study the redox state of carbonaceous Cb-type asteroids and evaluate the overall redox state of the most primitive rocks of the solar system. An analytical framework was developed to investigate the iron mineralogy and valence state in extraterrestrial material at the micron scale by combining x-ray diffraction, conventional Mössbauer (MS), and nuclear forward scattering (NFS) spectroscopies. An array of standard minerals was analyzed and cross-calibrated between MS and NFS. Then, MS and NFS spectra on three Ryugu grains were collected at the bulk and the micron scales. In Ryugu samples, iron is essentially accommodated in magnetite, clay minerals (serpentine–smectite), and sulfides. Only a single set of Mössbauer parameters was necessary to account for the entire variability observed in MS and NFS spectra, at all spatial scales investigated. These parameters therefore make up a fully consistent iron mineralogical model for the Ryugu samples. As far as MS and NFS spectroscopies are concerned, Ryugu grains are overall similar to each other and share most of their mineralogical features with CI-type chondrites. In detail however, no ferrihydrite is found in Ryugu particles even at the very sensitive scale of Mössbauer spectroscopy. The typical Fe 3+ /Fe tot of clay minerals is much lower than typical redox ratios measured in CI chondrites (Fe 3+ /Fe tot = 85%–90%). Furthermore, magnetite from Ryugu is stoichiometric with no significant maghemite component, whereas up to 12% of maghemite was previously identified in the Orgueil's so-called magnetite. These differences suggest that most CI meteorites suffered terrestrial alteration and that the preterrestrial composition of these carbon-rich samples was less oxidized than previously measured. However, it is not clear yet whether or not the parent bodies of CI chondrites were as reduced as Ryugu. Finally, the high spatial resolution of NFS allows to disentangle the redox state and the crystal chemistry of iron accommodated in serpentine and smectite. The most likely polytype of serpentine is lizardite, containing <35% of Fe 3+ , a fraction of which being tetrahedrally coordinated. Smectite is more oxidized (Fe 3+ /Fe tot > 65%) and mainly contains octahedral ferric iron. In conclusion, this finding implies that these clays formed from highly alkaline fluids and the spatial variability highlighted here may suggest a temporal evolution or a spatial variability of the nature of this fluid.

58 GEOSCIENCES↗

DOE OSTI2020

Measurement of the central exclusive production of charged particle pairs in proton-proton collisions at $\sqrt{s}$ = 200 GeV with the STAR detector at RHIC

We report on the measurement of the Central Exclusive Production of charged particle pairs h+h- (h = π, K, p) with the STAR detector at RHIC in proton-proton collisions at $\sqrt{s}$ = 200 GeV. The charged particle pairs produced in the reaction pp → p' + h + h - + p' are reconstructed from the tracks in the central detector and identified using the specific energy loss and the time of flight method, while the forward-scattered protons are measured in the Roman Pot system. Exclusivity of the event is guaranteed by requiring the transverse momentum balance of all four final-state particles. Differential cross sections are measured as functions of observables related to the central hadronic final state and to the forward-scattered protons. They are measured in a fiducial region corresponding to the acceptance of the STAR detector and determined by the central particles’ transverse momenta and pseudorapidities as well as by the forward-scattered protons’ momenta. This fiducial region roughly corresponds to the square of the four-momentum transfers at the proton vertices in the range 0.04 GeV 2 < -t 1 , -t 2 < 0.2 GeV 2 , invariant masses of the charged particle pairs up to a few GeV and pseudorapidities of the centrally-produced hadrons in the range |η| < 0.7. The measured cross sections are compared to phenomenological predictions based on the Double Pomeron Exchange (DPE) model. Structures observed in the mass spectra of π + π - and K + K - pairs are consistent with the DPE model, while angular distributions of pions suggest a dominant spin-0 contribution to π + π - production. For π + π - production, the fiducial cross section is extrapolated to the Lorentz-invariant region, which allows decomposition of the invariant mass spectrum into continuum and resonant contributions. The extrapolated cross section is well described by the continuum production and at least three resonances, the f 0 (980), f 2 (1270) and f 0 (1500), with a possible small contribution from the f 0 (1370). Fits to the extrapolated differential cross section as a function of t 1 and t 2 enable extraction of the exponential slope parameters in several bins of the invariant mass of π + π - pairs. These parameters are sensitive to the size of the interaction region.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Jet suppression and azimuthal anisotropy from RHIC to LHC

Azimuthal anisotropies of high- p T particles produced in heavy-ion collisions are understood as an effect of a geometrical selection bias. Particles oriented in the direction in which the QCD medium formed in these collisions is shorter suffer less energy loss, and thus, are over-represented in the final ensemble compared to those oriented in the direction in which the medium is longer. In this work we present the first semianalytical predictions, including propagation through a realistic, hydrodynamical background, of the elliptic azimuthal anisotropy for jets, obtaining a quantitative agreement with available experimental data as a function of the jet p T , its cone size R , and the collisions centrality. Jets are multipartonic, extended objects and their energy loss is sensitive to substructure fluctuations. This sensitivity is determined by the physics of color coherence that relates to the ability of the medium to resolve those partonic fluctuations. Specifically, color dipoles with an angular separation smaller than a critical angle, θ c , are not resolved by the medium and they effectively act as a coherent source of energy loss. We find that elliptic jet azimuthal anisotropy has a specially strong dependence on coherence physics due to the marked length dependence of θ c . By combining our predictions for the collision systems and center-of-mass energies studied at RHIC and the LHC, covering a wide range of typical values of θ c , we show that the relative size of elliptic jet azimuthal anisotropies for jets with different cone sizes R follows a universal trend that indicates a transition from a coherent regime of jet quenching to a decoherent regime. These results suggest a way forward to reveal the role played by the physics of jet color decoherence in probing deconfined QCD matter. Published by the American Physical Society 2024

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

The role of charm and unflavored mesons in prompt atmospheric lepton fluxes

The all-sky very-high-energy (10 4 − 10 6 GeV) atmospheric muon flux measured by IceCube shows a spectral hardening at the highest energies, indicating the presence of a prompt component. IceCube has also measured the atmospheric muon neutrino flux at high energy. However, since this flux is dominated by astrophysical neutrinos, only an upper bound can be placed on the prompt atmospheric ν μ + $\overline{ν}$ μ contribution. In this work, we provide a new evaluation of the prompt atmospheric muon flux including an intrinsic charm component in the cosmic ray-air interactions. The latter enhances the forward production of $\overline{D}$ 0 , D – and Λc, which subsequently decay into final states containing muons and muon neutrinos. We show how the increase in the prompt muon flux due to intrinsic charm is accompanied by a corresponding enhancement in the prompt muon neutrino flux. We implement different intrinsic charm production models in MCEq to calculate the resulting lepton fluxes. We discuss the challenges of achieving predictions that are simultaneously consistent with both IceCube’s high-energy atmospheric muon flux measurements and IceCube upper bounds on the prompt muon neutrino flux, and we quantify the resulting discrepancies. As possible solutions, we explore scaling of the unflavored meson contributions to the prompt atmospheric muon flux to assess how such adjustments can reconcile these differences. The tensions emphasized in our work call for a refinement of the hadronic interaction models, especially the production of unflavored mesons, and for new experimental data sensitive to unflavored meson and heavy flavor production with reliable estimates of the associated uncertainties. We suggest that the energy and zenith angle dependence of muon and neutrino flux ratios from future neutrino telescope measurements may help to disentangle different scenarios.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

All hard X-ray transient grating spectroscopy

Optical-domain transient grating (TG) spectroscopy is the ideal tool to investigate transport phenomena in gases, liquids and solids, but it is limited to typically micron-size grating periods. Extreme-Ultraviolet TG has represented a major leap forward to access the mesoscopic scales. Hard X-ray TGs open access in principle to the nanoscale. Hard X-ray TGs were recently generated using the Talbot effect and probed by optical pulses, but these hinder exploiting the advantages of the nanoscale gratings. Here, we present an all-X-ray TG study, in which few-femtosecond hard X-ray pulses are used both for excitation and probing. Our experiment was performed on an amorphous film of an FeGd alloy and on a thin silicon single crystal. The results show a manifestation of the TG induced by the X-ray pump and probe pulses in the form of Talbot carpets, as well as temporal evolution of the grating in crystalline silicon showing coherent optical phonons. Ultrafast all-X-ray TG spectroscopy has the potential to study fundamental excitations with femtosecond time resolution and nanometer spatial sensitivity.

Ferrari, Eugenio [Deutsches Elektronen-Synchrotron↗

DOE OSTI2025

Bayesian quantification of observability and equation of state of twin stars

The possibility of discovering twin stars, two neutron stars (NSs) with the same mass but different radii, is usually studied in forward modelings by using a restricted number of NS matter equations of state (EOSs) encapsulating a first-order phase transition from hadronic to quark matter (QM). Informing our likelihood function with the NS radius data from GW170817 and using a metamodel with nine parameters capable of mimicking most NS EOSs available in the literature, we conduct a Bayesian quantification of the observability and underlying EOSs of twin stars. Of the accepted EOSs, between 12 and 18% yield twin stars, depending on the restrictions we place on the second branch. The possibility of twin stars remains robust even under recent observational constraints. Here, we show that many of these twin star scenarios are observable with currently available levels of accuracy in measuring NS radii. We also present the marginalized posterior probability density functions (PDFs) of every EOS parameter for each of four mass-radius correlation topologies. We find that the inferred EOS depends sensitively on not only whether twin stars are present, but also the category of twin stars, indicating that the observation of twin stars would provide a strong constraint on the underlying EOS. In particular, for two coexisting hybrid stars having QM cores at different densities, the PDF for QM speed of sound squared 𝑐$^2_{qm}$ has two peaks, one below and another above the conformal limit 𝑐$^2_{qm}$ = 1/3 predicted by perturbative QCD.

QCD in nuclear reactions↗

DOE OSTI2019

Reaching the Energy Density Limit of Layered O3‐NaNi 0.5 Mn 0.5 O 2 Electrodes via Dual Cu and Ti Substitution

Abstract Although being less competitive energy density‐wise, Na‐ion batteries are serious alternatives to Li‐ion ones for applications where cost and sustainability dominate. O3‐type sodium layered oxides could partially overcome the energy limitation, but their practical use is plagued by a reaction process that enlists numerous phase changes and volume variations while additionally being moisture sensitive. Here, it is shown that the double substitution of Ti for Mn and Cu for Ni in O3‐NaNi 0.5− y Cu y Mn 0.5− z Ti z O 2 can alleviate most of these issues. Among this series, electrodes with specific compositions are identified that can reversibly release and uptake ≈0.9 sodium per formula unit via a smooth voltage‐composition profile enlisting minor lattice volume changes upon cycling as opposed to Δ V / V ≈23% in the parent NaNi 0.5 Mn 0.5 O 2 while showing a greater resistance against moisture. The positive attributes of substitution are rationalized by structure considerations supported by density functional theory (DFT) calculations. Electrodes with sustained capacities of ≈180 mAh g −1 are successfully implemented into 18 650 Na‐ion cells having greater performances, energy density‐wise (≈250 Wh L −1 ), than today's Na 3 V 2 (PO 4 ) 2 F 3 /HC Na‐ion technology which excels in rate capabilities. These results constitute a step forward in increasing the practicality of Na‐ion technology with additional opportunities for applications in which energy density prevails over rate capability.

Wang, Qing↗

DOE OSTI2019

A Deep-UV Trigger for Ground-State Ring-Opening Dynamics of 1,3-Cyclohexadiene

While the ring-opening reaction of 1,3-cyclohexadiene upon excitation to the 1B state has been extensively studied, little is known about the reaction dynamics when exciting higher-lying states. The complexity of the potential energy surfaces found in computational studies suggests that the reaction outcome may depend sensitively on the excitation wavelength and the initially prepared electronic state. We explore the photo-induced kinetics of 1,3-cyclohexadiene upon excitation at 200 nm to the 3p state by ultrafast time-resolved, gas-phase X-ray scattering using the Linac Coherent Light Source (LCLS). Analysis of the experimental scattering data, particularly with respect to the anisotropy, and comparison to ab-initio calculations reveals that the excitation leads dominantly to the 3px and 3py Rydberg electronic states, which relax to the ground state with a time constant of 208 ±11 fs. Unlike in the conventional photochemically induced conrotatory electrocyclic reaction observed at lower excitation energies, at 200 nm the majority of the molecules (76 ± 3%) relax to vibrationally hot cyclohexadiene in the ground electronic state. Furthermore, the photoexcitation activates the reaction on the ground electronic state surface. An equilibrium between the hot cyclohexadiene and 1,3,5-hexatriene is reached by a thermal reaction, giving rates for the forward and backward reaction of 174 ±13 ps and 355 ±45 ps, respectively. The scattering pattern of the final hexatriene product reveals a thermal distribution of rotamers about the carbon-carbon single bonds. The rapid decay of the initially excited state back into the ring-closed form allows us to observe a ground state chemical reaction using ultrafast X-ray scattering.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2025

Emulation of the calculations of final r -process abundance patterns with a neural network

This work explores the construction of a fast emulator for the calculation of the final pattern of nucleosynthesis in the rapid neutron capture process (the r-process). An emulator is built using a feed-forward artificial neural network (ANN). We train the ANN with nuclear data and relative abundance patterns. We take as input the β-decay half-lives and the one-neutron separation energy of the nuclei in the rare-earth region. The output is the final isotopic abundance pattern. In this work, we focus on the nuclear data and abundance patterns in the rare-earth region to reduce the dimension of the input and output space. We show that the ANN can capture the effect of the changes in the nuclear physics inputs on the final r-process abundance pattern in the adopted astrophysical conditions. We employ the deep ensemble method to quantify the prediction uncertainty of the neural network emulator. The emulator achieves a speed-up by a factor of about 20 000 in obtaining a final abundance pattern in the rare-earth region. The emulator may be utilized in statistical analyses such as uncertainty quantification, inverse problems, and sensitivity analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

Backaction-evading receivers with magnetomechanical and electromechanical sensors

Today's mechanical sensors are capable of detecting extremely weak perturbations while operating near the standard quantum limit. However, further improvements can be made in both sensitivity and bandwidth when we reduce the noise originating from the process of measurement itself—the quantum-mechanical backaction of measurement—and go below this ‘standard’ limit, possibly approaching the Heisenberg limit. One of the ways to eliminate this noise is by measuring a quantum nondemolition variable such as the momentum in a free-particle system. Here, we propose and characterize theoretical models for direct velocity measurement that utilize traditional electric and magnetic transducer designs to generate a signal while enabling this backaction evasion. We consider the general readout of this signal via electric or magnetic field sensing by creating toy models analogous to the standard optomechanical position-sensing problem, thereby facilitating the assessment of measurement-added noise. Using simple models that characterize a wide range of transducers, we find that the choice of readout scheme—voltage or current—for each mechanical detector configuration implies access to either the position or velocity of the mechanical subsystem. This in turn suggests a path forward for key fundamental physics experiments such as the direct detection of dark matter particles. Published by the American Physical Society 2024

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2022

Capturing the interactions between ice sheets, sea level and the solid Earth on a range of timescales: a new “time window” algorithm

Retreat and advance of ice sheets perturb the gravitational field, solid surface and rotation of the Earth, leading to spatially variable sea-level changes over a range of timescales $\textit{O}$ (10 0–6 years), which in turn feed back onto ice-sheet dynamics. Coupled ice-sheet–sea-level models have been developed to capture the interactive processes between ice sheets, sea level and the solid Earth, but it is computationally challenging to capture short-term interactions $\textit{O}$ (10 0–2 years) precisely within longer $\textit{O}$ (10 3–6 years) simulations. The standard forward sea-level modelling algorithm assigns a uniform temporal resolution in the sea-level model, causing a quadratic increase in total CPU time with the total number of input ice history steps, which increases with either the length or temporal resolution of the simulation. In this study, we introduce a new “time window” algorithm for 1D pseudo-spectral sea-level models based on the normal mode method that enables users to define the temporal resolution at which the ice loading history is captured during different time intervals before the current simulation time. Utilizing the time window, we assign a fine temporal resolution $\textit{O}$ (10 0–2 years) for the period of ongoing and recent history of surface ice and ocean loading changes and a coarser temporal resolution $\textit{O}$ (10 3–6 years) for earlier periods in the simulation. This reduces the total CPU time and memory required per model time step while maintaining the precision of the model results. We explore the sensitivity of sea-level model results to the model temporal resolution and show how this sensitivity feeds back onto ice-sheet dynamics in coupled modelling. We apply the new algorithm to simulate sea-level changes in response to global ice-sheet evolution over two glacial cycles and the rapid collapse of marine sectors of the West Antarctic Ice Sheet in the coming centuries and provide appropriate time window profiles for each application. The time window algorithm reduces the total CPU time by ~ 50 % in each of these examples and changes the trend of the total CPU time increase from quadratic to linear. This improvement would increase with longer simulations than those considered here. Our algorithm also allows for coupling time intervals of annual temporal scale for coupled ice-sheet–sea-level modelling of regions such as West Antarctica that are characterized by rapid solid Earth response to ice changes due to the thin lithosphere and low mantle viscosities.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Coupling plant litter quantity to a novel metric for litter quality explains C storage changes in a thawing permafrost peatland

Abstract Permafrost thaw is a major potential feedback source to climate change as it can drive the increased release of greenhouse gases carbon dioxide (CO 2 ) and methane (CH 4 ). This carbon release from the decomposition of thawing soil organic material can be mitigated by increased net primary productivity (NPP) caused by warming, increasing atmospheric CO 2 , and plant community transition. However, the net effect on C storage also depends on how these plant community changes alter plant litter quantity, quality, and decomposition rates. Predicting decomposition rates based on litter quality remains challenging, but a promising new way forward is to incorporate measures of the energetic favorability to soil microbes of plant biomass decomposition. We asked how the variation in one such measure, the nominal oxidation state of carbon (NOSC), interacts with changing quantities of plant material inputs to influence the net C balance of a thawing permafrost peatland. We found: (1) Plant productivity (NPP) increased post‐thaw, but instead of contributing to increased standing biomass, it increased plant biomass turnover via increased litter inputs to soil; (2) Plant litter thermodynamic favorability (NOSC) and decomposition rate both increased post‐thaw, despite limited changes in bulk C:N ratios; (3) these increases caused the higher NPP to cycle more rapidly through both plants and soil, contributing to higher CO 2 and CH 4 fluxes from decomposition. Thus, the increased C‐storage expected from higher productivity was limited and the high global warming potential of CH 4 contributed a net positive warming effect. Although post‐thaw peatlands are currently C sinks due to high NPP offsetting high CO 2 release, this status is very sensitive to the plant community's litter input rate and quality. Integration of novel bioavailability metrics based on litter chemistry, including NOSC, into studies of ecosystem dynamics, is needed to improve the understanding of controls on arctic C stocks under continued ecosystem transition.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2019

fPINNs: Fractional Physics-Informed Neural Networks

Physics-informed neural networks (PINNs), introduced, are effective in solving integer-order partial differential equations (PDEs) based on scattered and noisy data. PINNs employ standard feedforward neural networks (NNs) with the PDEs explicitly encoded into the NN using automatic differentiation, while the sum of the mean-squared PDE residuals and the mean-squared error in initial-boundary conditions is minimized with respect to the NN parameters. Here we extend PINNs to fractional PINNs (fPINNs) to solve space-time fractional advection-diffusion equations (fractional ADEs), and we study systematically their convergence, hence explaining both fPINNs and PINNs for the first time. Specifically, we demonstrate their accuracy and effectiveness in solving multidimensional forward and inverse problems with forcing terms whose values are only known at randomly scattered spatio-temporal coordinates (black-box (BB) forcing terms). A novel element of the fPINNs is the hybrid approach that we introduce for constructing the residual in the loss function using both automatic differentiation for the integer-order operators and numerical discretization for the fractional operators. This approach bypasses the difficulties stemming from the fact that automatic differentiation is not applicable to fractional operators because the standard chain rule in integer calculus is not valid in fractional calculus. To discretize the fractional operators, we employ the Grünwald--Letnikov (GL) formula in one-dimensional fractional ADEs and the vector GL formula in conjunction with the directional fractional Laplacian in two- and three-dimensional fractional ADEs. We first consider the one-dimensional fractional Poisson equation and compare the convergence of the fPINNs against the finite difference method (FDM). We present the solution convergence using both the mean L 2 error as well as the standard deviation due to sensitivity to NN parameter initializations. Using different GL formulas we observe first-, second-, and third-order convergence rates for small size training sets but the error saturates for larger training sets. We explain these results by analyzing the four sources of numerical errors due to discretization, sampling, NN approximation, and optimization. The total error decays monotonically (below 10 –5 for a third-order GL formula) but it saturates beyond that point due to the optimization error. We also analyze the relative balance between discretization and sampling errors and observe that the sampling size and the number of discretization points (auxiliary points) should be comparable to achieve the highest accuracy. As we increase the depth of the NN up to certain value, the mean error decreases and the standard deviation increases, whereas the width has essentially no effect unless its value is either too small or too large. We next consider time-dependent fractional ADEs and compare white-box (WB) and BB forcing. We observe that for the WB forcing, our results are similar to the aforementioned cases; however, for the BB forcing fPINNs outperform FDM. Subsequently, we consider multidimensional time-, space-, and space-time-fractional ADEs using the directional fractional Laplacian and we observe relative errors of 10 –3 ~ 10 –4 . Lastly, we solve several inverse problems in one, two, and three dimensions to identify the fractional orders, diffusion coefficients, and transport velocities and obtain accurate results given proper initializations even in the presence of significant noise.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2019

X-Ray Fluorescence Quantitative and Qualitative Analysis Using Micro Glass Beads

The fused glass bead method is the accepted 'best practice' method of preparation of samples for X-ray fluorescence (XRF) analysis. It minimizes the effects of sample heterogeneity and simplifies calibration by dissolving the sample into a uniform glass matrix. Glass fusion XRF samples are typically prepared by grinding sample powder with Lithium Tetraborate / Lithium Bromide and fusing the mixture at 1000 deg. C. In most cases sample-to-flux ratios of between 1:1 to 1:10 are used (1:1 for determination of trace elements and 1:10 for major elements). Typical sample mass consumed is in the range of 1000 to 2500 mg. It would be advantageous to reduce this sample mass in cases where the sample material is rare, valuable or highly radioactive. This study examines the effects of using lower sample-to-flux ratios and smaller fusion bead size on the detection and quantification of major and trace elements by XRF analysis. We have employed a micro fused glass bead process, using sample-to-flux ratios of 1:10, 1:15 and 1:25, to determine the effects on measurement precision, accuracy and detection limit. Objectives: - Created micro fused glass beads of a series of standards and andesite sample with sample-to-flux ratios of 1:10, 1:15 and 1:25. - Perform an qualitative analysis of the different sample-to-flux ratio micro beads and compare the results with the 1:5.3 beads routinely used at SRNL. - Quantitate the major components in the different sample-to-flux ratio micro beads using a wavelength dispersive x-ray fluorescence instrument. Advantages: - Reduce sample amount needed. - Speed up waste tank characterization. - Reduce personnel exposure. - Potential sealed source. Fused micro glass beads with sample-to-flux ratios of 1:10, 1:15 and 1:25 were created using sample amounts of 123 mg, 82 mg and 52 mg respectively. It was possible to detect most of the major oxides and some trace elements in the fused micro glass beads with different sample-to-flux ratios. The quantitative analysis showed good linear correlation between the intensity of the analysis and the concentration of the elements. Good precision and accuracy results were obtained for the majority of the major oxides in the three fused micro glass beads with different sample-to-flux ratios. Path Forward: Enhance the precision and accuracy of the method by optimizing different sample preparation steps, such as weighing and sample transfer. Continue to increase the sample-to-flux ratio to determine the minimum amount of sample needed to perform a multielement analysis. Consider the use of synthetic standards to lower the detection limit of the analysis. Used the micro bead sample preparation method to analyze radioactive samples.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2022

Diagnosing the pedestal magnetic field and magnetohydrodynamics radial structure with pedestal–scrape of layer electron cyclotron emission radiation inversion in H-mode plasma (invited)

Forward modeling is used to interpret inversion patterns of the pedestal–Scrape of Layer (SOL) Electron Cyclotron Emission (ECE) in DIII-D H-mode experiments. The modeling not only significantly improves the ECE data interpretation quality but also leads to the potential measurements of (1) the magnetic field strength |B| at the separatrix, (2) the pedestal |B| evolution during an inter-Edge Localized Mode (ELM) period, and (3) the pedestal Magnetohydrodynamics (MHD) radial structure. The ECE shine-through effect leads to three types of pedestal–SOL radiation inversions that are discussed in this paper. The first type of inversion is the non-monotonic T e,rad profile with respect to the major radius. Using the ECE frequency at the minimum T e,rad , the inversion can be applied to measure the magnetic field |B| at the separatrix and calibrate the mapping of the ECE channels with respect to the separatrix. The second type of inversion refers to the opposite phase between the radiation fluctuations δT e,rad at the pedestal and SOL. This δT e,rad phase inversion is sensitive to density and temperature fluctuations at the pedestal foot and, thus, can be used to qualitatively measure the MHD radial structure. The third type of inversion appears when the pedestal and SOL T e,rad evolve in an opposite trend, which can be used to infer the pedestal |B| field change during an inter-ELM period. Finally, the bandwidth effect on measuring δT e,rad due to pedestal MHD is also investigated in the radiation modeling.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

SO(3)-invariance of informed-graph-based deep neural network for anisotropic elastoplastic materials

This work examines the frame-invariance (and the lack thereof) exhibited in simulated anisotropic elasto-plastic responses generated from supervised machine learning of classical multi-layer and informed-graph-based neural networks, and proposes different remedies to fix this drawback. The inherent hierarchical relations among physical quantities and state variables in an elasto-plasticity model are first represented as informed, directed graphs, where three variations of the graph are tested. While feed-forward neural networks are used to train path-independent constitutive relations (e.g., elasticity), recurrent neural networks are used to replicate responses that depends on the deformation history, i.e. or path dependent. In dealing with the objectivity deficiency, we use the spectral form to represent tensors and, subsequently, three metrics, the Euclidean distance between the Euler Angles, the distance from the identity matrix, and geodesic on the unit sphere in Lie algebra, can be employed to constitute objective functions for the supervised machine learning. In this, the aim is to minimize the measured distance between the true and the predicted 3D rotation entities. Following this, we conduct numerical experiments on how these metrics, which are theoretically equivalent, may lead to differences in the efficiency of the supervised machine learning as well as the accuracy and robustness of the resultant models. Neural network models trained with tensors represented in component form for a given Cartesian coordinate system are used as a benchmark. Our numerical tests show that, even given the same amount of information and data, the quality of the anisotropic elasto-plasticity model is highly sensitive to the way tensors are represented and measured. The results reveal that using a loss function based on geodesic on the unit sphere in Lie algebra together with an informed, directed graph yield significantly more accurate rotation prediction than the other tested approaches.

42 ENGINEERING↗

DOE OSTI2023

Physics Opportunities at a Beam Dump Facility at PIP-II and Beyond

The accelerator complex at Fermilab is currently undergoing improvements which will increase the available beam power to the complex and is known as Proton Improvement Plan-II (PIP-II). The PIP-II Linac is slated for operation near the end of this decade and will be the main proton driver for Fermilab experiments moving forward and provide the beam to LBNF/DUNE. However, the DUNE physics program requires only ~1% of the available protons provided by PIP-II. The Accelerator Complex Enhancement, or ACE, will provide further up grades in the 2030s in the form of increased power to LBNF along with a replacement for the Fermilab Booster which could also include an accumulator ring. A workshop was recently held at Fermilab in order to explore the physics possible when PIP-II is coupled with a fixed target or beam dump. The beam dump scenario pro vides an exciting opportunity to search for dark sector physics across detector threshold energy scales with examples being accelerator-produced dark matter, active-to-sterile neutrino oscillations, millicharged parti cles, and axion-like particles, which can be produced in the proton collisions with a fixed target. Additionally, experiments located at a PIP-II facility that is coupled to an accumulator ring would also be able to study coherent elastic neutrino-nucleus scattering, or CEvNS. In this talk, I will summarize the physics possible at a PIP-II beam dump facility and sensitivities to different dark sector physics and other beyond the Standard Model searches with detector concepts spanning from an eV-scale to MeV-scale detection threshold.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗