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DOE OSTI2026

Measurement of 𝐷 0 Meson Photoproduction in Ultraperipheral Heavy Ion Collisions

This Letter reports the first measurement of photonuclear 𝐷 0 meson production in ultraperipheral heavy ion collisions. The study is performed using lead-lead collision data, with an integrated luminosity of 1.34 nb −1 , collected by the CMS experiment at a nucleon-nucleon center-of-mass energy of 5.36 TeV. Photonuclear events, where one of the colliding nuclei breaks up and the other remains intact, are selected based on breakup neutron emissions and by requiring no particle activity in a large rapidity interval in the direction of the photon-emitting nucleus. The 𝐷 0 mesons are reconstructed via the 𝐷 0 → 𝐾 −⁢ 𝜋 + decay channel, with the cross section measured as a function of 𝐷 0 meson transverse momentum and rapidity. The results are compared with next-to-leading-order perturbative QCD calculations that employ recent parametrizations of the lead nuclear parton distribution functions, as well as with predictions based on the color glass condensate framework. This measurement is the first photonuclear collision study characterizing parton distribution functions of lead nuclei for parton fractional momenta 𝑥 (relative to the nucleon) ranging approximately from a few 10 −4 to 10 −2 for different hard energy scale 𝑄 2 selections.

charm quark↗

DOE OSTI2021

Determining the jet transport coefficient $\hat{q}$ from inclusive hadron suppression measurements using Bayesian parameter estimation

We report a new determination of $\hat{q}$, the jet transport coefficient of the quark-gluon plasma. We use the JETSCAPE framework, which incorporates a novel multistage theoretical approach to in-medium jet evolution and Bayesian inference for parameter extraction. The calculations, based on the Matter and Lbt jet quenching models, are compared to experimental measurements of inclusive hadron suppression in Au + Au collisions at the BNL Relativistic Heavy Ion Collider (RHIC) and Pb + Pb collisions at the CERN Large Hadron Collider (LHC). The correlation of experimental systematic uncertainties is accounted for in the parameter extraction. The functional dependence of $\hat{q}$ on jet energy or virtuality and medium temperature is based on a perturbative picture of in-medium scattering, with components reflecting the different regimes of applicability of Matter and Lbt. In the multistage approach, the switch between Matter and Lbt is governed by a virtuality scale Q 0 . Comparison of the posterior model predictions to the RHIC and LHC hadron suppression data shows reasonable agreement, with moderate tension in limited regions of phase space. The distribution of $\hat{q}/T^3$ extracted from the posterior distributions exhibits weak dependence on jet momentum and medium temperature T, with 90% credible region (CR) depending on the specific choice of model configuration. The choice of Matter + Lbt, with switching at virtuality Q 0 , has 90% CR of $2<\hat{q}/T^3<4$ for p T jet > 40 GeV=c. The value of Q 0 , determined here for the first time, is in the range 2.0-2.7 GeV.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2020

Coordinate transformation methodology for simulating quasistatic elastoplastic solids

Molecular dynamics simulations frequently employ periodic boundary conditions where the positions of the periodic images are manipulated in order to apply deformation to the material sample. For example, Lees-Edwards conditions use moving periodic images to apply simple shear. Here, we examine the problem of precisely comparing this type of simulation to continuum solid mechanics. We employ a hypo-elastoplastic mechanical model, and develop a projection method to enforce quasi-static equilibrium. We introduce a simulation framework that uses a fixed Cartesian computational grid on a reference domain, and imposes deformation via a time-dependent coordinate transformation to the physical domain. As a test case for our method, we consider the evolution of shear bands in a bulk metallic glass using the shear transformation zone theory of amorphous plasticity. We examine the growth of shear bands in simple shear and pure shear conditions as a function of the initial preparation of the bulk metallic glass.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2021

Multiscale Electrothermal Design of a Modular Multilevel Converter for Grid-Tied Applications

As a key feature of modular multilevel converters (MMCs), a large number of semiconductor devices are employed in the converter and distributed over a stack of submodules. Each submodule has a strict temperature limit that imposes constraints on the operating range of the converter. Different loading conditions/losses in the submodules lead to unavoidable temperature variations inside the MMC, which consequently affect the system-level performance and reliability. This paper is focused on the electrothermal analysis and design of a medium-voltage silicon carbide (SiC)-based MMC system, from submodule power semiconductors to the overall MMC system integration of multiple submodules. Loss calculations are performed to estimate the cooling requirements and aid thermal design at different levels. The performance of forced-air cooling approach is analyzed within a numerical modeling framework. Maximum temperature of the SiC power modules is predicted using numerical tools. Thermal design of the MMC cabinet with various arrangement of air inlet(s) and outlet(s) is investigated and compared from a cooling performance perspective.

CFD↗

DOE OSTI2024

ChatGPT and Other Large Language Models for Cybersecurity of Smart Grid Applications

Cybersecurity breaches targeting electrical substations constitute a significant threat to the integrity of the power grid, necessitating comprehensive defense and mitigation strategies. Any anomaly in information and communication technology (ICT) should be detected for secure communications between devices in digital substations. This paper proposes large language models (LLMs), e.g., ChatGPT, for the cybersecurity of IEC 61850-based communications. Multi-cast messages such as generic object oriented system events (GOOSE) and sampled values (SV) are used for case studies. The proposed LLM-based cybersecurity framework includes, for the first time, data pre-processing of communication systems and human-in-the-loop (HITL) training (considering the cybersecurity guidelines recommended by humans). The results show a comparative analysis of detected anomaly data carried out based on the performance evaluation metrics for different LLMs. A hardware-in-the-loop (HIL) testbed is used to generate and extract a dataset of IEC 61850 communications.

ChatGPT↗

DOE OSTI2023

Multiscale Electrothermal Design of a Modular Multilevel Converter for Medium-Voltage Grid-Tied Applications

As a key feature of modular multilevel converters (MMCs), a large number of semiconductor devices are employed in the converter and distributed over a stack of submodules. Each submodule has a strict temperature limit that imposes constraints on the operating range of the converter. Different loading conditions/losses in the submodules lead to unavoidable temperature variations inside the MMC, which consequently affect the system-level performance and reliability. This paper is focused on the electrothermal analysis and design of a medium-voltage silicon carbide (SiC)-based MMC system, from submodule power semiconductors to the overall MMC system integration of multiple submodules, for grid-connected applications. Loss calculations are performed to estimate the cooling requirements and aid thermal design at different levels. The performance of a forced-air cooling approach is analyzed within a numerical modeling framework. Maximum temperature of the SiC power modules is predicted using numerical tools. Thermal design of the MMC cabinet with various arrangements of air inlet(s) and outlet(s) is investigated and compared from a cooling performance perspective. A fully resolved model of the arrangement that yields optimal results is developed to accurately predict the temperature profile of the essential components in the submodules.

computational fluid dynamics↗

DOE OSTI2024

Accelerated Depth Computation for Surface Boxplots with Deep Learning

Functional depth is a well-known technique used to derive descriptive statistics (e.g., median, quartiles, and outliers) for 1D data. Surface boxplots extend this concept to ensembles of images, helping scientists and users identify representative and outlier images. However, the computational time for surface boxplots increases cubically with the number of ensemble members, making it impractical for integration into visualization tools. In this paper, we propose a deep-learning solution for efficient depth prediction and computation of surface boxplots for time-varying ensemble data. Our deep learning framework accurately predicts member depths in a surface boxplot, achieving average speedups of 6X on a CPU and 15X on a GPU for the 2D Red Sea dataset with 50 ensemble members compared to the traditional depth computation algorithm. Our approach achieves at least a 99% level of rank preservation, with order flipping occurring only at pairs with extremely similar depth values that pose no statistical differences. This local flipping does not significantly impact the overall depth order of the ensemble members.

Han, Mengjiao↗

DOE OSTI2020

Impurity lattice Monte Carlo for hypernuclei

Abstract We consider the problem of including $$\varLambda $$ Λ hyperons into the ab initio framework of nuclear lattice effective field theory. In order to avoid large sign oscillations in Monte Carlo simulations, we make use of the fact that the number of hyperons is typically small compared to the number of nucleons in the hypernuclei of interest. This allows us to use the impurity lattice Monte Carlo method, where the minority species of fermions in the full nuclear Hamiltonian is integrated out and treated as a worldline in Euclidean projection time. The majority fermions (nucleons) are treated as explicit degrees of freedom, with their mutual interactions described by auxiliary fields. This is the first application of the impurity lattice Monte Carlo method to systems where the majority particles are interacting. Here, we show how the impurity Monte Carlo method can be applied to compute the binding energies of the light hypernuclei. In this exploratory work we use spin-independent nucleon–nucleon and hyperon–nucleon interactions to test the computational power of the method. We find that the computational effort scales approximately linearly in the number of nucleons. The results are very promising for future studies of larger hypernuclear systems using chiral effective field theory and realistic hyperon–nucleon interactions, as well as applications to other quantum many-body systems.

Frame, Dillon↗

DOE OSTI2026

AstraAI v1

AstraAI is an open-source, structure-aware AI coding agent designed for large scientific and DOE-HPC codebases such as AMReX-based applications. Unlike general-purpose coding assistants, AstraAI combines retrieval-augmented generation (RAG) with compiler-level Abstract Syntax Tree (AST) analysis to perform precise, scope-constrained code modifications. It identifies exact function spans, enforces locality of edits, and maintains cross-file invariants, enabling deterministic and build-safe transformations in complex C++/GPU environments. AstraAI is intended for developers working on large, evolving HPC frameworks where correctness, reproducibility, and structural integrity are critical. Typical use cases include modifying physics kernels, updating GPU device lambdas, and performing multi-file refactors without breaking compilation or runtime semantics. Compared to conventional LLM-based coding agents - even those with repository access - AstraAI provides structural guarantees rather than free-form text patches. It minimizes unintended diffs, prevents scope drift, preserves formatting and build stability, and reduces structural hallucinations. By integrating compiler tooling directly into the generation loop, AstraAI transforms AI-assisted coding from probabilistic text editing into deterministic, structure-preserving program transformation suitable for mission-critical scientific software.

Natarajan, Mahesh [Lawrence Berkeley National Labo↗

DOE OSTI2022

High-Silicon Steel Strip by Single-Step Shear Deformation Processing

It is well known that Fe-Si alloys with Si content higher than in conventional electrical sheet steels (>3.2% Si) can make a significant impact in improving the efficiency of electrical motors if they are available in sheet/foil (strip) forms at suitable cost. While the magnetic and electrical attributes (e.g., resistivity, core loss) of these high-Si Fe alloys, of relevance to electrical motor core laminations, are known to be exceptional, the alloys have limited workability, making them difficult to produce consistently in sheet/foil (strip) forms. Current processing techniques such as rolling, while adequate for producing conventional electrical steel sheet, do have important disadvantages - large energy consumption and emissions, limitations in processing of low-workability alloys (e.g., high-Si content steels), large-scale plant infrastructure, and less than adequate capability to engineer sheet metals with specific microstructures (e.g., fine-grained) and crystallographic textures (e.g., shear textures). It is therefore of interest to have an alternative commercial process that can produce sheet/foil (strip) from high-Si Fe alloys and which can also overcome some of the deficiencies of current multistage strip processes. The goal of the present project was design and demonstration of a new energy-efficient pilot process for producing high-Si electrical steel strip of commercial widths and thickness, and with superior electrical and magnetic properties than current electrical steels (Fe-3.2% Si as benchmark). The applications domain for these steels is electrical motor core laminations. We have addressed this goal by accomplishment of the following specific objectives and tasks: a) Development of an Fe-4Si-4Cr alloy with electrical resistivity >80 μΩ-cm, induction flux density >1.48 T at 5000 A/m and core loss 35% lower than the benchmark 3.2% Si alloy. The alloy which meets DOE target specifications for motor core attributes was designed with the Si content controlled for the electrical properties and the Cr content tailored to meet material/process workability requirements. b) A unique machining-based deformation processing system was designed and scaled-up to produce strip of commercial width (25 mm to 150 mm) and thickness (up to 0.5 mm) from the Fe-4Si-4Cr alloy and other alloys of varied workability including copper, Al6061-T6 and naval brass. The key attributes of the machining-based strip production are deformation processing by concentrated simple-shear; single-step production of strip from ingot using compact machine infrastructure; strip surface finish of Ra 0.35 to 1 micrometer that is comparable/superior to that of rolled strip; discrete production of strip that can potentially be done at point of use; and controllability of strip mechanical/formability properties by deformation control. c) The electrical, magnetic, surface quality, mechanical, formability, and metallurgical properties/attributes of the machining-based strip were established by direct ASTM standard or equivalent measurement techniques. d) Punching characteristics of the strip in terms of load, edge quality and macro defects were similar to those of conventional 3.2% Si electrical steels. These punching characteristics are critical from a manufacturability perspective for motor/transformer core applications. e) A modeling framework for energy analysis of multistage rolling and the machining-based deformation processing has been established. Application of this modeling to the two strip-processes showed that the machining-based process requires significantly lower specific energy for processing, ~ 25% of that for rolling. The modeling framework can be adapted for a range of sheet-metal forming, bulk metal forming, and machining processes. It can be used to identify key parameters controlling process specific energy. f) A comparative analysis of advantages and disadvantages of machining-based processing against rolling for strip production. The single stage machining-based processing, with compact infrastructure, represents a new manufacturing paradigm for sheet and foil manufacturing that can potentially also be applied to advanced titanium, aluminum, copper and magnesium alloys. The goals and objectives were accomplished by a cross-disciplinary project team comprising of personnel from Purdue University; M4 Sciences LLC, a small-business focused on advanced manufacturing technology development; the Pacific Northwest National Labs; and tool manufacturers. The team is currently in advanced discussions with multiple entities for future process development for commercialization.

36 MATERIALS SCIENCE↗

NASA NTRS1992

Mechanism synthesis and 2-D control designs of an active three cable crane

A Lunar Crane with a suspension system based on a three cable mechanism is investigated to provide a stable end-effector for hoisting, positioning, and assembling large components during construction and servicing of a Lunar Base. The three cable suspension mechanism consists of a structural framework of three cables pointing to a common point that closely coincides with the suspended payload's center of gravity. The vibrational characteristics of this three cable suspension system are investigated by comparing a simple 2-D symmetric suspension model and a swinging pendulum in terms of their analytical natural frequency equations. A study is also made of actively controlling the dynamics of the crane using two different actuator concepts. Also, Lyapunov-based control algorithms are developed to determine two regulator-type control laws performing the system vibrational suppression for both system dynamics. Simulations including initial-valued dynamic responses as well as control performances for two different system dynamics are also presented.

Yang, Li-Farn↗

NASA NTRS2015

Numerical Simulations of Shock/Plume Interaction Using Structured Overset Grids

Computational simulations using structured overset grids with the Launch Ascent and Vehicle Aerodynamics (LAVA) solver framework are presented for predicting oblique shock/plume interaction effects to near-field sonic boom signatures. Standard second-order accurate as well as higher-resolution numerical discretizations are utilized and compared in the study. The numerical approach is compared with supersonic wind-tunnel data for three cases. The cases include an empty wind-tunnel at the operating conditions, an isolated shockgenerating diamond wedge within the tunnel, and a nozzle with diamond wedge configuration at five different nozzle pressure ratios. Solution sensitivity to numerical discretization is analyzed. Favorable comparisons between the computational results and experimental data of near-field pressure signatures are obtained. A simple prediction method for plume induced shock deflection is developed and results are compared with the CFD data.

Housman, Jeffrey A.↗

NASA NTRSDate not supplied

Lunar Landing and Launch Pad Construction – Concepts and Criteria

When a lander vehicle launches or lands on the Moon, the rocket engine exhaust plume impinges on the surface and interacts with the regolith to create blast ejecta and associated cratering of the surface. Lunar regolith blast ejecta travels at high velocities (>2,000 m/s) for long distances (kilometers) in a vacuum environment [1] creating hazards for surrounding assets and it can also impact the bottom of the lander vehicle, risking damage to the engines, thermal insulation and sensors. Ballistic particles can possibly enter cislunar space and achieve orbit as debris, if the ejecta is sufficiently energetic. The cratering and regolith erosion can endanger the vehicle itself by affecting the soil stability under the landing gear. Landing on unpredictable terrain with varying topography, natural craters and rock hazards is also hazardous risks tipping a lander at dangerous angles in extreme conditions that may also violate maximum slope angles for subsequent launch operations. During launch (Figure 1), an overpressure pulse created by the ignition of the rocket engines can pose significant ejecta risks to the vehicle. Dust clouds raised during landing limit the efficacy of sensors and reduce visibility for the astronaut pilots, creating significant real-time risk during landing site selection by the pilot or computer navigation system. Future lunar spaceports will require mitigations to these launch and landing risks [2]. There are four main objectives of this effort:1) To establish the state of the art in LLP construction methodologies. 2) To propose criteria for trade studies of LLP concepts. 3) To publicly share the authors’ ideas for potential LLP solutions. 4) To serve as the starting point for future development of LLP technologies. Establishing the state of the art in the area of off-Earth Launch & Landing Pad concepts will base-line the work that has been completed thus far and highlight the wide span between current Technology Readiness Levels (TRLs)and operational readiness. The authors aim to communicate the need for funding in this area in the near term by illustrating that there is much work to be completed before a truly viable option exists. Setting forth criteria for trade studies of LLP concepts is important for several reasons. The first and most straightforward is to establish a framework for performing trade studies on LLP concepts. This will enable NASA to select the most promising concepts for continued development, and it will also help technology developers understand how their concepts compare with others and the priorities of development effort.

landing pad↗

NASA NTRS2021

Improved Representation of the Global Dust Cycle Using Observational Constraints on Dust Properties and Abundance

Even though desert dust is the most abundant aerosol by mass in Earth’s atmosphere, atmospheric models 25 struggle to accurately represent its spatial and temporal distribution. These model errors are partially caused byfundamental difficulties in simulating dust emission in coarse-resolution models and in accurately representing dust microphysical properties. Here we mitigate these problems by developing a new methodology that yields an improved representation of the global dust cycle. We present an analytical framework that uses inverse modeling to integrate an ensemble of global model simulations with observational constraints on the dust size distribution, 30 extinction efficiency, and regional dust aerosol optical depth. We then compare the inverse model results against independent measurements of dust surface concentration and deposition flux and find that errors are reduced by approximately a factor of two relative to current model simulations of the Northern Hemisphere dust cycle. The inverse model results show smaller improvements in the less dusty Southern Hemisphere, most likely because both the model simulations and the observational constraints used in the inverse model are less accurate. On a global 35 basis, we find that the emission flux of dust with geometric diameter up to 20 μm (PM20) is approximately 5,000 Tg/year, which is greater than most models account for. This larger PM20 dust flux is needed to match observational constraints showing a large atmospheric loading of coarse dust. We obtain gridded data sets of dust emission, vertically integrated loading, dust aerosol optical depth, (surface) concentration, and wet and dry deposition fluxes that are resolved by season and particle size. As our results indicate that this data set is more accurate than current 40 model simulations and the MERRA-2 dust reanalysis product, it can be used to improve quantifications of dust impacts on the Earth system.

aerosols, dust↗

NASA NTRSDate not supplied

Inter-Calibrating CERES Instrument Fluxes Utilizing the CERES Instrument Geostationary Scan Mode Observations

The NASA Clouds and the Earth’s Radiant Energy System (CERES) project provides the scientific community observed top-of-atmosphere (TOA) fluxes to monitor the Earth’s energy imbalance and validate climate models. The CERES instruments onboard the Terra, Aqua, SNPP and NOAA-20 satellites need to be inter-calibrated to provide a continuous and consistent TOA flux record contained in the CERES Energy Balanced and Filled (EBAF) product. The SNPP and NOAA-20 satellites are positioned a half an orbit apart within the same sun-synchronous orbit (1:30 PM equatorial crossing time) thus preventing any direct time-matched observations. The CERES project designed the geostationary scan mode (GEOscan) to inter-calibrate the Geostationary Earth Radiation Budget (GERB) broadband measurement onboard the Meteosat 8-11 satellites. By rotating the orientation of the CERES instrument scan to match the angular configuration of the geostationary scan mode, the comparison of both angle and time matched observations suitable for inter-calibration is possible. To determine if the GEOscan mode is useful for inter-calibrating two CERES instruments placed in the same 16-day repeating orbit, the CERES project placed the Terra and Aqua CERES instruments in GEOscan mode once every 6 days over a rotation of five geostationary domains beginning in February 2023. The GEO imager narrowband to broadband derived radiances are used as transfer radiometers to compare the Terra and Aqua CERES observed radiances. Since both the Terra and Aqua CERES instruments are in GEOscan mode over the same GEO domain and day, the GEO imager calibration is expected to be consistent between the Terra and Aqua overpass times. Any GEO imager narrowband to broadband regional biases should be similar for the Terra and Aqua overpasses. The GEOscan mode Terra and Aqua CERES inter-calibration coefficients for both shortwave and longwave broadband radiances will be compared against the CERES instrument team’s coefficients to determine the viability of this approach. Improvements in the GEO imager narrowband to broadband approaches will also be investigated and verified within this framework.

Kyle Itterly↗

DOE OSTI2022

Insights into dual-functional modification for water stability enhancement of mesoporous zirconium metal–organic frameworks

The stability of metal–organic frameworks (MOFs) in water affects their ability to function as chemical catalysts, their capacity as adsorbents for separations in water vapor presence, and their usefulness as recyclable water harvesters. Here, we have examined water stability of four node-modified variants of the mesoporous MOF, NU-1000, namely formate-, Acac-, TFacac-, and Facac-NU-1000, comparing these with node-accessible NU-1000. These NU-1000 variants present ligands grafted to NU-1000's hexa-Zr(IV)-oxy nodes by displacing terminal aqua and hydroxo ligands. Facac-NU-1000, containing the most hydrophobic ligands, showed the greatest water stability, being able to undergo at least 20 water adsorption/desorption cycles without loss of water uptake capacity. Computational studies revealed dual salutary functions of installed Facac ligands: (1) enhancement of framework mechanical stability due to electrostatic interactions; and (2) transformation and shielding of the otherwise highly hydrophilic nodes from H-bonding interactions with free water, presumably leading to weaker channel-stressing capillary forces during water evacuation – consistent with trends in free energies of dehydration across the NU-1000 variants. Water harvesting and hydrolysis of chemical warfare agent simulants were examined to gauge the functional consequences of modification and mechanical stabilization of NU-1000 by Facac ligands. The studies revealed a harvesting capacity of ~1.1 L of water vapor per gram of Facac-NU-1000 per sorption cycle. They also revealed retention of catalytic MOF activity following 20 water uptake and release cycles. This study provides insights into the basis for node-ligand-engendered stabilization of wide-channel MOFs against collapse during water removal.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Resilience of Interdependent Water and Power Systems: A Literature Review and Conceptual Modeling Framework

As increasing pressures of population growth and climate change arise, water and power systems (WPS) are becoming increasingly interdependent. This interdependency has resulted in an increased potential for cascading failures, whereby the service interruption of one system can propagate to interdependent ones. This paper makes four contributions. First, we present an extensive literature review in the field of integrated water and power resilience, leveraging both institutional and technical literature research landscapes. We compare various modeling approaches used to model interdependent WPS and discuss the different metrics and definitions that are typically employed to quantify and define resilience. Relevant challenges and gaps related to modeling tools and metrics are also discussed, and appropriate recommendations are made. Second, the paper presents a visualization prototype for interdependent WPS to showcase water and power system interdependencies and reveal co-managed resilience strategies that can be used to improve resilience under different types of common threats. Third, we provide a conceptual decision support framework that simultaneously optimizes a portfolio of co-managed resilience strategies in the face of multiple, uncertain threats and addresses WPS interdependencies. Finally, we present future trends regarding digitalization, integrated planning, collaborative governance, and equity needs for building more resilient WPS.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2021

Cybersecurity Risk Assessment Framework for Externally Exposed Energy Delivery Systems

Securing the energy delivery system (EDS) from complex, nonlinear, and evolving cyber threats requires a complex set of changing and interwoven classes of technologies, policies, relationships, and personnel. One key area in this technological milieu is assessment methodologies to compare information, gathered by a variety of means, about networked devices with publicly known possible threat information about said devices. This information is used to generate risk-based characterizations that allow for the adjudication and proper corresponding management action chains to be assigned.

Gourisetti, Sri Nikhil G.↗