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DOE OSTI2021

Diverted Negative Triangularity plasmas on DIII–D: The benefit of high confinement without the liability of an edge pedestal

Diverted discharges at negative triangularity on the DIII-D tokamak sustain normalized confinement and pressure levels typical of standard H-mode scenarios (H 98y,2 ≅1, β N ≅3) without developing an edge pressure pedestal, despite the auxiliary power far exceeding the L → H power threshold expected from conventional scaling laws. The power degradation of confinement is substantially weaker than the ITER-89P scaling, resulting in a confinement factor that improves with increasing auxiliary power. Furthermore, the absence of the edge pedestal is beneficial in several aspects, such as eliminating the need for active mitigation or suppression of edge localized modes, low impurity retention and a reconstructed scrape-off layer heat flux width at the mid-plane that exceeds the ITPA multi-machine scaling law by up to 50%. Together with technological advantages granted by placing the divertor at larger radii, plasmas at Negative Triangularity without an edge pedestal feature both core confinement and power handling characteristics that are potentially suitable for operation in future fusion reactors.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2026

The ABCs of phase retrieval: Connecting the acronyms of scanning transmission electron microscopy

High-resolution scanning transmission electron microscopy (S/TEM) is an indispensable tool for characterizing the structure and properties of materials down to the atomic scale. Conventional S/TEM imaging, however, is limited by the phase problem, whereby the phase of the electron exit wave is lost upon detection. Recent advances in diffractive imaging and 4D-STEM have enabled a range of phase-retrieval techniques that computationally reconstruct the missing information encoded in the phase of the transmission function. These approaches offer improved dose efficiency and enhanced sensitivity to weakly scattering signals, extending quantitative imaging to beam-sensitive materials composed of light elements. In this work, we introduce the phase problem in electron microscopy and survey the diverse landscape of phase-retrieval techniques used in the field. Despite their many acronyms and algorithmic variations, these techniques share a common physical and mathematical foundation. We present a unified framework that connects these seemingly distinct methods, from parallax imaging and tilt-corrected bright-field (tcBF-STEM), to aberration-corrected bright-field (acBF-STEM), optimum bright-field (OBF-STEM) and single-sideband (SSB) ptychography, as well as first-moment integrated center of mass techniques (iCOM) and iterative ptychographic algorithms. Based on these insights, we discuss the opportunities and practical limitations of applying these methods across different materials systems, detector designs, and microscope configurations.Graphical abstractRepresentative electron microscopy configurations used for phase retrieval and diffractive imaging in S/TEM: (a) Zernike phase-contrast transmission electron microscopy (TEM), (b) small-convergence-angle four-dimensional scanning transmission electron microscopy (4D-STEM) for nanobeam-based phase reconstruction methods, and (c) large-convergence-angle 4D-STEM for ptychographic and related diffractive imaging techniques reviewed in this work.

36 MATERIALS SCIENCE↗

DOE OSTI2026

Jet fragmentation function and groomed substructure of bottom quark jets in proton-proton collisions at 5.02 TeV

A measurement of the substructure of bottom quark jets (b jets) in proton-proton (pp) collisions is presented. The measurement uses data collected in pp collisions at $\sqrt{s}=5.02$ TeV, with a low number of simultaneous interactions per bunch crossing, recorded by the CMS experiment in 2017, corresponding to an integrated luminosity of 301 pb −1 . An algorithm to identify and cluster the charged decay daughters of b hadrons is developed for this analysis, which facilitates the exposure of the gluon radiation pattern of b jets using iterative Cambridge-Aachen declustering. The soft-drop-groomed jet radius, R g , and momentum balance, z g , of b quark jets are presented. These observables can be used to test perturbative quantum chromodynamics predictions that account for mass effects. Because the b hadron is partially reconstructed from its charged decay daughters, only charged particles are used for the jet substructure studies. In addition, a jet fragmentation function, z b,ch , is measured, which is defined as the distribution of the ratio of the transverse momentum (p T ) of the partially reconstructed b hadron with respect to the charged-particle component of the jet p T . The substructure variable distributions are unfolded to the charged-particle level. The b jet substructure is compared to the substructure of jets in an inclusive jet sample that is dominated by light-quark and gluon jets in order to assess the role of the b quark mass. A strong suppression of emissions at small R g values is observed for b jets when compared to inclusive jets, consistent with the dead-cone effect. The measurement is also compared with theoretical predictions from Monte Carlo event generators. This is the first substructure measurement of b jets that clusters together the b hadron decay daughters independent of the b hadron species and decay channel.

boosted jets↗

DOE OSTI2023

Modeling Hydrodynamic Instabilities, Shocks, and Radiation Waves in High Energy Density Experiments [Dissertation]

This thesis presents the computational design, modeling, and analysis of three experiments in high-energy density physics (HEDP), all of them concerning fundamental radiation flows. The first experiment is a laboratory astrophysics experiment to investigate the role of the Kelvin-Helmholtz instability (KHI) in the process of galactic filaments supplying gas to galactic halos. The achieved goal was to provide a first study in which the role of the instability is maximal and predict behavior in future iterations of an experiment accessing a more radiative regime where the role of the instability is stifled. This experiment would help answer how certain galaxies are able to grow so rapidly and produce many stars as the KHI limits this process. The second experiment, COAX, is a radiation flow experiment with a novel spectroscopy diagnostic configuration, designed to spatially measure the temperature of a radiation wave as it travels down a doped foam. A key result of this work was the development of a synthetic spectroscopy application and application of modern spectroscopy comparison techniques to provide our first temperature reconstructions from the experimental data. This experimental platform serves as the launching ground for a number of new experiments that vary the basic premise and thus is foundational to our ongoing research. The final experiment is a full integration of modeling, design, and theoretical development for the Radishock experiment. This experimental platform studies the head-on collision of a radiation wave with a counter-propagating shock, and like COAX, uses spectroscopy to diagnose and detect the interaction. My research analyzes the successful shots, indicating aspects of successful detections and suggests improvements to future iterations of the design.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2020

Provable Convergence of Plug-and-Play Priors With MMSE Denoisers

Plug-and-play priors (PnP) is a methodology for regularized image reconstruction that specifies the prior through an image denoiser. While PnP algorithms are well understood for denoisers performing maximum a posteriori probability (MAP) estimation, they have not been analyzed for the minimum mean squared error (MMSE) denoisers. Here we address this gap by establishing the first theoretical convergence result for the iterative shrinkage/thresholding algorithm (ISTA) variant of PnP for MMSE denoisers. We show that the iterates produced by PnP-ISTA with an MMSE denoiser converge to a stationary point of some global cost function. We validate our analysis on sparse signal recovery in compressive sensing by comparing two types of denoisers, namely the exact MMSE denoiser and the approximate MMSE denoiser obtained by training a deep neural net.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2026

A Faster-Than-Real-Time Framework for Reliability-Oriented Simulation of PV Inverters

Physics-of-Failure (PoF) based reliability assessment for photovoltaic (PV) inverters requires long-duration electrical and electrothermal stress histories, yet generating such stress histories with high-fidelity switching models over year long mission profiles is computationally prohibitive. Conventional methods either sacrifice modeling fidelity for speed or require runtimes that are impractical for design iteration and uncertainty studies. To address this bottleneck, this paper presents a High-Performance Computing (HPC) based simulation frame work for faster-than-real-time reliability-oriented simulation. The proposed framework integrates the Average-to-Switching (A2S) method with parallel computing techniques to accelerate switching-level waveform reconstruction. We further introduce optimization strategies, including cluster merging and sensitivity based mission profile screening, to reduce the computational burden. Evaluated using real-world mission profile inputs and a MATLAB/Simulink switching-model reference, the framework reduces the simulation time for a one-year mission from an intractable multi-year duration to approximately 7.3 minutes while maintaining low waveform error. This acceleration provides a practical reliability-oriented simulation engine that can be coupled with component-specific aging models for subsequent PV inverter PoF assessment.

High-performance Computing↗

DOE OSTI2022

Galaxy deblending using residual dense neural networks

We present a new neural network approach for deblending galaxy images in astronomical data using Residual Dense Neural network (RDN) architecture. We train the network on synthetic galaxy images similar to the typical arrangements of field galaxies with a finite point spread function (PSF) and realistic noise levels. The main novelty of our approach is the usage of two distinct neural networks: i) a deblending network which isolates a single galaxy postage stamp from the composite and, ii) a classifier network which counts the remaining number of galaxies. The deblending proceeds by iteratively peeling one galaxy at a time from the composite until the image contains no further objects as determined by the classifier, or by other stopping criteria. By looking at the consistency in the outputs of the two networks, we can assess the quality of the deblending. Further, we characterize the flux and shape reconstructions in different quality bins and compare our deblender with the industry standard, SExtractor. We also discuss possible future extensions for the project with variable PSFs and noise levels.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2024

Effects of Injected Current Streams on MHD Equilibrium Reconstruction of Local Helicity Injection Plasmas in a Spherical Tokamak

Open field line currents are intrinsic to DC helicity injection plasma startup and pose a challenge for inferring the plasma equilibrium with standard reconstruction analysis. Local helicity injection (LHI) is a type of DC helicity injection which uses small, modular current sources to drive force-free current along helical field lines to produce tokamak plasmas. MHD modeling and magnetic measurements during LHI indicate the injected current streams remain coherent as helical structures on the outboard edge of a core toroidal plasma that is tokamak-like in a toroidally averaged sense. To extract core plasma equilibrium properties, external magnetic diagnostics corrected for contributions from the injected current streams are fitted by a standard Grad-Shafranov equilibrium code. An iterative approach for estimating and subtracting the stream contributions from the diagnostic signals is described and applied to a model equilibrium database to reduce systematic errors introduced by the streams. Convergence is usually attained with 2 to 4 iterations, with derived equilibrium parameters matching the prescribed axisymmetric core values to within estimated experimental uncertainties. Accurate recovery of core parameters occurs when the ratio of the net toroidal windup current from the streams to the core plasma current is less than 0.2, which is typically satisfied in most experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2020

Improvements to a class of hybrid methods for radiation transport: Nyström reconstruction and defect correction methods

In this study, two modifications are introduced for improving the accuracy, versatility, and robustness of a class of hybrid methods for radiation transport. In general, such methods are constructed by splitting the radiative flux into collided and uncollided components to which low- and high-resolution angular approximations are applied, respectively. In this work we focus on discrete ordinates discretizations of high and low order. The first modification we introduce changes the way in which the collided component is mapped into the uncollided component at the end of each time step in a simulation. The new mapping is a Nyström-type reconstruction that is applicable to arbitrary discrete ordinates quadratures, is guaranteed to preserve positivity of the solution provided that all ordinate weights are positive, is significantly more accurate than previous methods, and can be readily extended to other discretizations such as moment methods, finite element methods, and diffusion approximations. The second modification leverages integral deferred correction (IDC) to iteratively correct for the splitting error introduced by the inconsistency in angular discretization between the collided and uncollided components, in addition to improving the accuracy of the low-order temporal error that is treated by traditional IDC methods. Numerical tests in one- and two-dimensional geometries are used to demonstrate the increased accuracy and efficiency of the proposed modifications. It is found that the two techniques combined yield methods with solution accuracy and memory requirements comparable to that of monolithic discrete ordinates methods while reducing runtime by as much as a factor of between two and ten, depending on the problem.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

3D radiated power analysis of JET SPI discharges using the Emis3D forward modeling tool

Abstract Precise values for radiated energy in tokamak disruption experiments are needed to validate disruption mitigation techniques for burning plasma tokamaks like ITER and SPARC. Control room analysis of radiated power ( P rad ) on JET assumes axisymmetry, since fitting 3D radiation structures with limited bolometry coverage is an under-determined problem. In mitigated disruptions, radiation is toroidally asymmetric and 3D, due to fast-growing 3D MHD modes and localized impurity sources. To address this problem, Emis3D adopts a physics motivated forward modeling (‘guess and check’) approach, comparing experimental bolometry data to synthetic data from user-defined radiation structures. Synthetic structures are observed with the Cherab modeling framework and a best fit chosen using a reduced χ 2 statistic. 2D tomographic inversion models are tested, as well as helical flux tubes and 3D MHD simulated structures from JOREK. Two nominally identical pure neon shattered pellet injection (SPI) mitigated discharges in JET are analyzed. 2D tomographic inversions with added toroidal freedom are the best fits in the thermal quench (TQ) and current quench (CQ). In the pre-TQ, 2D reconstructions are statistically the best fits, but are likely over-optimized and do not capture the 3D radiation structure seen in fast camera images. The next-best pre-TQ fits are helical structures that extend towards the high-field side, consistent with an impurity flow under the magnetic nozzle effect also observed in JOREK simulations. Whole-disruption radiated fractions of 0.98 + 0.03 / − 0.29 and 1.01 + 0.02 / − 0.17 are found, suggesting that the stored energy may have been fully mitigated by each SPI, although mitigation efficiencies well below ITER and SPARC requirements for high energy pulses are still within the large uncertainties. Emis3D is also used to validate JOREK SPI simulations, and confirms improvements in matching experiment from changes to impurity modeling. Time-dependent toroidal peaking factors are calculated and discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Scanning Transmission Electron Microscopy–Atom Probe Tomography Correlative Analysis for the Characterization of Solute-defect Interactions

Atom probe tomography (APT) and (scanning) transmission electron microscopy ((S)TEM) are complementary techniques that provide spatially resolved chemical and structural information at the atomic scale. Here, in this study, we employ two different STEM/APT correlative analysis methods to investigate Cr segregation at dislocation loops in ultra-high purity Fe–Cr alloys. APT needles for the correlative analysis were extracted either from bulk material or from thinned TEM lamellae. STEM analysis was used to determine the Burgers vectors of ion-irradiation-induced dislocation loops, while APT reconstruction of the same region revealed the Cr segregation to these loops. We extended the g•b = 0 invisibility criterion of dislocation loops from TEM mode in a lamella to STEM mode in a needle-shaped specimen. STEM and APT analysis on the same needle provide straightforward correlative analysis, although it is limited by a small observation volume. In contrast, iterative STEM analysis of TEM lamellae, followed by the selective extraction of specific regions of interest for APT analysis, expands the observation area by up to 100 times but requires additional time-consuming steps for APT needle extraction from the lamellae.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

A deep learning-enhanced framework for multiphysics joint inversion

Joint inversion has drawn considerable attention due to the availability of multiple geophysical data sets, ever-increasing computational resources, the development of advanced algorithms, and its ability to reduce inversion uncertainty. A key issue of joint inversion is to develop effective strategies to link different geophysical data in a unified mathematical framework, in which the information obtained from different models can complement each other. We have developed a deep learning-enhanced joint inversion framework to simultaneously reconstruct different physical models by fusing different types of geophysical data. Traditionally, structure similarity constraints are pursued by joint inversion algorithms using manually crafted formulations (e.g., cross gradient). The constraint is constructed by a deep neural network (DNN) during the learning process. The framework is designed to combine the DNN and a traditional independent inversion workflow and improve the joint inversion result iteratively. The network can be easily extended to incorporate multiphysics without structural changes. Numerical experiments on the joint inversion of 2D DC resistivity data and seismic traveltime are used to validate our method. In addition, this learning-based framework demonstrates excellent generalization abilities when tested on data sets using different geologic structures. It also can handle different sensing configurations and nonconforming discretization.

Geochemistry & Geophysics↗

DOE OSTI2025

Determining the Ensemble N -Representability of Reduced Density Matrices

The N-representability problem for reduced density matrices remains a fundamental challenge in electronic structure theory. Following our previous work that employs a unitary-evolution algorithm based on an adaptive derivative-assembled pseudo-Trotter variational quantum algorithm to probe pure-state N-representability of reduced density matrices [J. Chem. Theory Comput. 2024, 20, 9968], in this work we propose a practical framework for determining the ensemble N-representability of a p-body matrix. This is accomplished using a purification strategy that embeds an ensemble state into a pure state defined on an extended Hilbert space, such that the reduced density matrices of the purified state reproduce those of the original ensemble. By iteratively applying variational unitaries to an initial purified state, the proposed algorithm minimizes the Hilbert-Schmidt distance between its p-body reduced density matrix and a specified target p-body matrix, which serves as a measure of the N-representability of the target. This methodology facilitates both error correction of defective ensemble reduced density matrices and quantum-state reconstruction on a quantum computer, offering a route for density-matrix refinement. We validate the algorithm with numerical simulations on systems of two, three, and four electrons in both simple models as well as molecular systems at finite temperature, demonstrating its robustness.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2023

Toward accurate measurement of electromagnetic field by retrieving and refining the center position of non-uniform diffraction disks in Lorentz 4D-STEM

Recent advancement in scanning transmission electron microscopy (STEM) allows the use of 4D-STEM, a technique that captures an electron diffraction pattern at each scan point in STEM, to measure electrostatic and magnetic potential and field in materials. However, accurate measurement, separation of the magnetic and electric signals, and removal of artifacts remain challenging, especially in the presence of complex non-uniform diffraction contrast within the disks. In this work, based on dynamic simulations of 4D-STEM patterns built upon superstructures consisting of millions of atoms to account for different sample thickness and edge geometries, we show how the shape and intensity distribution of the central disk are affected by multiple scattering. We propose a robust refinement procedure through iteration of the spin-sensitive peak position of the disk-center in the circular Hough transform filtered images from experimental Lorentz 4D-STEM dataset after minimizing the possible artifacts, such as those due to the change of thickness, dynamic scattering, and scanning process. We verify that caution must be taken as in practice the rigid-disk-shift model used to reconstruct induction maps can easily break down due to disk-protrusion when there exists a nonconstant phase gradient or thickness within the width of the probe. Through quantitative analysis and comparing experiment with calculation the effect of the non-spin-related intensity distribution inside the disk as well as that causes the disk shift due to the intensity-protrusion can be removed, and high-quality magnetic field mapping is possible.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

Comparing quantum annealing and spiking neuromorphic computing for sampling binary sparse coding QUBO problems

We consider the problem of computing a sparse binary representation of an image. Given an image and an overcomplete, non-orthonormal basis, we aim to find a sparse binary vector indicating the minimal set of basis vectors that when added together best reconstruct the given input. We formulate this problem with an L 2 loss on the reconstruction error, and an L 0 loss on the binary vector enforcing sparsity. First, we solve the sparse representation QUBOs by solving them both on a D-Wave quantum annealer with Pegasus chip connectivity, as well as on the Intel Loihi 2 spiking neuromorphic processor using a stochastic Non-equilibrium Boltzmann Machine (NEBM). Second, using Quantum Evolution Monte Carlo with Reverse Annealing and iterated warm starting on Loihi 2 to evolve the solution quality from the respective machines. We demonstrate that both quantum annealing and neuromorphic computing are suitable for solving binary sparse coding QUBOs.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2020

Deblending galaxies with variational autoencoders: A joint multiband, multi-instrument approach

ABSTRACT Blending of galaxies has a major contribution in the systematic error budget of weak-lensing studies, affecting photometric and shape measurements, particularly for ground-based, deep, photometric galaxy surveys, such as the Rubin Observatory Legacy Survey of Space and Time (LSST). Existing deblenders mostly rely on analytic modelling of galaxy profiles and suffer from the lack of flexible yet accurate models. We propose to use generative models based on deep neural networks, namely variational autoencoders (VAE), to learn probabilistic models directly from data. We train a VAE on images of centred, isolated galaxies, which we reuse, as a prior, in a second VAE-like neural network in charge of deblending galaxies. We train our networks on simulated images including six LSST bandpass filters and the visible and near-infrared bands of the Euclid satellite, as our method naturally generalizes to multiple bands and can incorporate data from multiple instruments. We obtain median reconstruction errors on ellipticities and r-band magnitude between ±0.01 and ±0.05, respectively, in most cases, and ellipticity multiplicative bias of 1.6 per cent for blended objects in the optimal configuration. We also study the impact of decentring and prove the method to be robust. This method only requires the approximate centre of each target galaxy, but no assumptions about the number of surrounding objects, pointing to an iterative detection/deblending procedure we leave for future work. Finally, we discuss future challenges about training on real data and obtain encouraging results when applying transfer learning.

Arcelin, Bastien↗

DOE OSTI2022

The benefits of CMB delensing

The effects of gravitational lensing of the cosmic microwave background (CMB) have been measured at high significance with existing data and will be measured even more precisely in future surveys. Reversing the effects of lensing on the observed CMB temperature and polarization maps provides a variety of benefits. Delensed CMB spectra have sharper acoustic peaks and more prominent damping tails, allowing for improved inferences of cosmological parameters that impact those features. Delensing reduces B-mode power, aiding the search for primordial gravitational waves and allowing for lower variance reconstruction of lensing and other sources of secondary CMB anisotropies. Lensing-induced power spectrum covariances are reduced by delensing, simplifying analyses and improving constraints on primordial non-Gaussianities. Biases that result from incorrectly modeling nonlinear and baryonic feedback effects on the lensing power spectrum are mitigated by delensing. All of these benefits are possible without any changes to experimental or survey design. Here, we develop a self-consistent, iterative, all-orders treatment of CMB delensing on the curved sky and demonstrate the impact that delensing will have with future surveys.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2025

Multimodal super-resolution: discovering hidden physics and its application to fusion plasmas

Understanding complex physical systems often requires integrating data from multiple diagnostics, each with limited resolution or coverage. We present a machine learning framework that reconstructs synthetic high-temporal-resolution data for a target diagnostic using information from other diagnostics, without direct target measurements during the inference. This multimodal super-resolution technique improves diagnostic robustness and enables monitoring even in case of measurement failures or degradation. Applied to fusion plasmas, our method targets edge-localized modes (ELMs), which can damage plasma-facing materials. By reconstructing super-resolution Thomson Scattering data from complementary diagnostics, we uncover fine-scale plasma dynamics and validate the role of resonant magnetic perturbations (RMPs) in ELM suppression through magnetic island formation. The approach provides new observation supporting the plasma profile flattening due to these islands. Our results demonstrate the framework’s ability to generate high-fidelity synthetic diagnostics, offering a powerful tool for ELM control development in future reactors like ITER. The approach is broadly transferable to other domains facing sparse, incomplete, or degraded diagnostic data, opening new avenues for discovery.

Jalalvand, Azarakhsh [Princeton Univ., NJ (United ↗