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DOE OSTI2021

Remote-sensing and radiosonde datasets collected in the San Luis Valley during the LAPSE-RATE campaign

Abstract. In July 2018, the International Society for Atmospheric Research using Remotely piloted Aircraft (ISARRA) hosted a flight week to showcase the role remotely piloted aircraft systems (RPASs) can have in filling the atmospheric data gap. This campaign was called Lower Atmospheric Process Studies at Elevation – a Remotely-piloted Aircraft Team Experiment (LAPSE-RATE). In support of this campaign, ground-based remote and in situ systems were also deployed for the campaign. The University of Oklahoma deployed the Collaborative Lower Atmospheric Mobile Profiling System (CLAMPS), the University of Colorado deployed two Doppler wind lidars, and the National Severe Storms Laboratory deployed a mobile mesonet with the ability to launch radiosondes. This paper focuses on the data products from these instruments that result in profiles of the atmospheric state. The data are publicly available in the Zenodo LAPSE-RATE community portal (https://zenodo.org/communities/lapse-rate/, 19 January 2021). The profile data discussed are available at https://doi.org/10.5281/zenodo.3780623 (Bell and Klein, 2020), https://doi.org/10.5281/zenodo.3780593 (Bell et al., 2020b), https://doi.org/10.5281/zenodo.3727224 (Bell et al., 2020a), https://doi.org/10.5281/zenodo.3738175 (Waugh, 2020b), https://doi.org/10.5281/zenodo.3720444 (Waugh, 2020a), and https://doi.org/10.5281/zenodo.3698228 (Lundquist et al., 2020).

54 ENVIRONMENTAL SCIENCES↗

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 OSTI2023

JIRIAF: JLAB Integrated Research Infrastructure Acros Facilities

The JIRIAF project aims to combine geographically diverse computing facilities into an integrated science infrastructure. This project starts by dynamically evaluating temporarily unallocated or idled compute resources from multiple providers. These resources are integrated to handle additional workloads without affecting local running jobs. This paper describes our approach to launch best-effort batch tasks which exploit these underutilized resources. Our system measures the real-time behavior of jobs running on a machine and learns to distinguish typical performance from outliers. Unsupervised ML techniques are used to analyze hardware-level performance measures, followed by a real-time cross-correlation analysis to determine which applications cause performance degradation. We then ameliorate bad behavior by throttling these processes. We demonstrate that problematic performance interference can be detected and acted on, which makes it possible to continue to share resources between applications and simultaneously maintain high utilization levels in a computing cluster. We relocate the CLAS12 data processing workflow to a remote data center for a case study, preventing file migration and temporal data persistency.

Lawrence, David↗

DOE OSTI2026

Optimizing Energy Use in Pulp & Paper with DOE’s Energy Intensive Industries Resources

The U.S. pulp and paper industry is the third-largest energy consumer in manufacturing, accounting for roughly 10% of sector energy use. Improving energy efficiency reduces operating costs and strengthens competitiveness. To support this effort, the U.S. Department of Energy (DOE), through Oak Ridge National Laboratory (ORNL), launched the Energy Intensive Industries (EII) Initiative. A two-year pilot across 45 industrial sites identified more than 4 trillion Btu/year in potential energy savings. This presentation outlines plans for a follow-up technical assistance program tailored to pulp and paper mills. Available resources include a cost-savings scoping tool, implementation planning guidance, and technical support for applying advanced methods such as Pinch Analysis for integrated process-utilities optimization. The session introduces key Pinch Analysis principles and highlights case studies demonstrating measurable improvements. ORNL also seeks industry feedback on barriers to efficiency improvements, including technology gaps and resource needs. DOE’s broader objective is to accelerate productivity and economic competitiveness across U.S. energy-intensive industries.

Kamath, Dipti [ORNL] (ORCID:0000000278739994)↗

DOE OSTI2020

Chromium Nucleosynthesis and Silicon–Carbon Shell Mergers in Massive Stars

In this work, we analyze the production of the element Cr in galactic chemical evolution (GCE) models using the NuGrid nucleosynthesis yields set. We show that the unusually large [Cr/Fe] abundance at [Fe/H] ≈ 0 reported by previous studies using those yields and predicted by our Milky Way model originates from the merging of convective Si-burning and C-burning shells in a 20 ${M}_{\odot }$ model at metallicity Z = 0.01, about an hour before the star explodes. This merger mixes the incomplete burning material in the Si shell, including 51 V and 52 Cr, out to the edge of the carbon/oxygen (CO) core. The adopted supernova model ejects the outer 2 ${M}_{\odot }$ of the CO core, which includes a significant fraction of the Cr-rich material. When including this 20 M⊙ model at Z = 0.01 in the yields interpolation scheme of our GCE model for stars between 15 and 25 ${M}_{\odot }$, we overestimate [Cr/Fe] by an order of magnitude at [Fe/H] ≈ 0 relative to observations in the Galactic disk. This raises a number of questions regarding the occurrence of Si–C shell mergers in nature, the accuracy of different simulation approaches, and the impact of such mergers on the presupernova structure and explosion dynamics. According to the conditions in this 1D stellar model, the substantial penetration of C-shell material into the Si shell could launch a convective–reactive global oscillation if a merger does take place. In any case, GCE provides stringent constraints on the outcome of this stellar evolution phase.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Laser-driven flyer plate impact: Computational studies guided by experiments

We present a computational approach using a multimaterial, arbitrary Lagrangian–Eulerian code termed ALE3D to model the nanosecond/micrometer dynamics of the launch of 0.5–4.5 km/s laser-driven metal flyer plates and the impact with stationary targets of Pyrex and fused silica glasses, and Lexan and Plexiglas polymers, producing pressures in the target in the range of 5–20 GPa. The simulations are compared to experimental results where the flyer velocity profile and the velocity profile imparted to the target material were measured with high-speed velocimetry. The experimental flyer launch by a high-intensity pulsed laser is modeled by depositing heat into a thin vaporizable layer under the flyer plate. This model produces a flyer plate that has not been exposed to the laser pulse, allowing us to compare the properties of the real flyer to a simulated ideal flyer. The simulations of target impact are generally in good agreement with the experiment except at the highest impact velocities where the shock release process in the experiment is slower than that in the simulation. The cause of this disagreement is attributed to an inadequate description of the shock viscosity during the nanosecond unloading process.

Stekovic, Svjetlana (ORCID:0000000163878070)↗

DOE OSTI2020

Sampling and Analysis Plan for Investigation of Undeclared Nuclear Activities - 20104

The nuclear-centered energy policy in South Korea is moving towards a nuclear-free era. It also facilitates an action or progress on the denuclearization of the Korean peninsula. The Nuclear Safety and Security Commission (NSSC) launched a new R and D project which attempts to verify nuclear activities via analyzing environmental samples. Environmental samples possibly contain significant radiological information relevant to past undeclared activities. In order to precisely verify them, it is essential to provide 1) the concrete information of target facilities, 2) appropriate methodologies and procedures, and 3) well-suited instrumentation and equipment corresponding to sample signatures. It is also important to provide scientific reliability or validity in any process such as sample collection, handling, transportation and laboratory analysis. Therefore, the information of nuclear facilities (fuel fabrication plant, graphite moderated reactor, reprocessing plant) in North Korea are reviewed in order to determine parameters for appropriate sampling methods representing a facility's characteristics. Secondly, a sampling procedure for radioactive elements is being developed based on international and domestic standards such as ASTM (American Society for Testing and Materials), KS (Korean industrial Standards), and International Atomic Energy Agency (IAEA) manuals. The procedure contains some specific information including sampling process, sampling tools, amount of sample, sample identification, and other related information. Developing the qualified national guidelines is most important since sampling and analyzing results can be used as evidences of nuclear activities. The guideline developed through this work will clearly define various methodologies such as document verification, sampling procedures, collection methods, sample storage criteria, chain of custody, and transportation conditions. The final objective of this work is to establish the infrastructure and regulatory framework for assessment of nuclear activities, and provide a national guideline for sampling and analysis. This will bring confidence in the results and play a critical role in complete denuclearization progress in South Korea. (authors)

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

DOE OSTI2021

Formation of transient high-β plasmas in a magnetized, weakly collisional regime

We present experimental data providing evidence for the formation of transient (~20 μs) plasmas that are simultaneously weakly magnetized (i.e. Hall magnetization parameter ωτ > 1) and dominated by thermal pressure (i.e. ratio of thermal-to-magnetic pressure β > 1). Particle collisional mean free paths are an appreciable fraction of the overall system size. These plasmas are formed via the head-on merging of two plasmas launched by magnetized coaxial guns. The ratio λ gun = μ 0 I gun /ψ gun of gun current I gun to applied magnetic flux ψ gun is an experimental knob for exploring the parameter space of β and ωτ. These experiments were conducted on the Big Red Ball at the Wisconsin Plasma Physics Laboratory. The transient formation of such plasmas can potentially open up new regimes for the laboratory study of weakly collisional, magnetized, high-β plasma physics; processes relevant to astrophysical objects and phenomena; and novel magnetized plasma targets for magneto-inertial fusion.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Editorial: Advanced water splitting technologies development: Best practices and protocols

As the level of deployment and utilization of renewable energy sources, including wind and solar, continues to rise, large-scale, long-term energy storage technologies that could accommodate weekly and seasonal energy fluctuations will play a significant role in the overall deployment of renewable energies in the future. Harnessing and storing renewable energy resources via electrochemical, photoelectrochemical, or thermochemical processes by converting renewable energy into sustainable (energy storage) fuels have the potential to meet the long-term, terawatt scale energy storage challenge. Renewable hydrogen production is the cornerstone for sustainable fuel production and deep decarbonization of multiple sectors in our society. Cost-competitive clean hydrogen provides value to applications, such as 1) in the transportation sector for fuel cell vehicles, 2) in the electric grid sector for system stability and load balancing, and 3) in the industrial sector with metal refineries, cement production, and biomass upgrading (carbon-free fertilizer production). In addition, coupling clean renewable hydrogen with the carbon and nitrogen cycles enables known and well-established thermal-chemical processes to generate renewable hydrocarbon fuels and ammonia. The Advanced Water Splitting Technologies (AWST): low temperature electrolysis (LTE), high temperature electrolysis (HTE), photoelectrochemical (PEC) and solar thermo-chemical hydrogen (STCH) provide four unique and parallel approaches to produce low cost, low greenhouse gas (GHG) emission hydrogen at scale (Figure 1). Cost competitive clean hydrogen production using these four technologies is a current high priority focus for governments and industry. In June of 2022, the U.S. Department of Energy (DOE) launched the first in a series of Earthshot Initiatives. The Hydrogen Shot, “1 1 1” aims to reduce the cost of clean hydrogen by more than 80% to one dollar per one kilogram in 1 decade ($\$$1/kg H 2 ). The European Green Deal and the International Energy Agency (IEA) have implemented a strong focus on green hydrogen production for a clean and secure energy future.

benchmarking, low temperature electrolysis↗

DOE OSTI2023

Development and Performance of RFD Crab Cavity Prototypes for HL-LHC AUP

The US will be contributing to the HL-LHC upgrade at CERN with the fabrication and qualification of RFD crabbing cavities in the framework of the HL-LHC Accelerator Upgrade Project (AUP) managed by Fermilab. AUP received Critical Decision 3 (CD-3) approval by DOE in December 2020 launching the project into the production phase. The electro-magnetic design of the cavity was inherited from the LHC Accelerator Research Program (LARP) but needed to be revised to meet new project requirements and to prevent issues encountered during beam tests performed at CERN in the R&D phase. Two prototype cavities were manufactured in industry and cold tested. Challenges specific to the RFD cavity were the stringent interface tolerances, the pole symmetry, and the higher-order-mode impedance spectrum. Chemical processing and heat treatments were performed initially at FNAL/ANL and are now being transferred to industry for the production phase. HOM dampers are manufactured and validated by JLAB. A summary of cold test results with and without HOM dampers is presented.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

Strong-field ionization of the triplet ground state of O 2

Using strong-field ionization as a probe, we observe highly nonperiodic evolution of the spin-rotation wave packet launched by a nonionizing femtosecond pulse in oxygen. The nonperiodicity is readily apparent only in rotationally cold molecules that are pumped with a weak alignment pulse. We show that this behavior is a consequence of the spin-rotation and the spin-spin couplings in the triplet ground state of the neutral molecule. A model that includes these couplings in the field-free Hamiltonian but in neither the alignment nor the ionization step explains most of the observed dynamics, suggesting that neither process depends explicitly on the electronic spin. We also show that the angle dependence of strong-field ionization can be retrieved from the delay-dependent signal even when coupling to spin complicates the rotational dynamics.

74 ATOMIC AND MOLECULAR PHYSICS↗

DOE OSTI2023

xSDK-batched Subcontract - Ginkgo Batched Iterative Solver Development (Final Report)

Iterative solvers are fundamentally different from direct solvers in terms of execution as they generally do not execute a pre-defined sequence of operations or steps, but adapt the number of iterations to the specific problem and the preset solution quality. Generally, the adaptation of the iteration count to the problem is realized by monitoring the solver convergence and stopping the iteration process once the monitored metric, e.g., the residual norm, hits a pre-defined threshold. When addressing a set of problems with different properties, it is necessary to monitor the threshold for each problem individually and break up the SIMD execution style to avoid excess iterations for “easier” problems. Ginkgo integrates a simple but customizable stopping criterion for the residual norm and generally uses a pre-defined (relative or absolute) residual norm as the stopping criterion. In order to avoid the overhead of launching a kernel at every iteration, the iteration convergence and iteration control is part of the solver kernel. Each thread maintains its own copy of the iteration count.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2022

CABLE Big Idea RDD&D Workshop (Workshop Summary Report)

The U.S. Department of Energy’s (DOE’s) Advanced Manufacturing Office (AMO) held the CABLE Big Idea RDD&D Workshop April 7–9, 2021. The virtual workshop brought together approximately 250 leading scientific and technical experts to gather information on the state of the art in conductivity-enhanced materials and their applications. These stakeholders included scientists, engineers, manufacturers, materials experts, utility companies, and other entities within the conductor material and electrical product manufacturing supply chains. The two main goals of the workshop were to 1) start building and strengthening a research ecosystem around conductivity-enhanced materials and 2) inform AMO’s future portfolio of research, development, demonstration, and deployment (RDD&D) investments and other program activities in the area of conductivity-enhanced materials. CABLE—or Conductivity-enhanced materials for Affordable, Breakthrough Leapfrog Electric and thermal applications—was was established as an Office of Energy Efficiency and Renewable Energy initiative as a result of a competitive internal process to identify and prioritize potentially high-impact research topics. Since then, conductivity-enhanced materials have been identified as an important element of the shift to an electrified and decarbonized industry sector, and CABLE remains a Big Idea. The CABLE effort is led by AMO and supported by eight other offices within DOE. The first major effort under CABLE was the development of several subtopics for DOE’s Small Business Innovation Research/Small Business Technology Transfer (SBIR/STTR) programs in 2020. Another major activity was the launch of the CABLE Conductor Manufacturing Prize in March 2021.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2024

The Evolution of Galaxies and Clusters at High Spatial Resolution with Advanced X-ray Imaging Satellite (AXIS)

Stellar and black hole feedback heat and disperse surrounding cold gas clouds, launching gas flows off circumnuclear and galactic disks, producing a dynamic interstellar medium. On large scales bordering the cosmic web, feedback drives enriched gas out of galaxies and groups, seeding the intergalactic medium with heavy elements. In this way, feedback shapes galaxy evolution by shutting down star formation and ultimately curtailing the growth of structure after the peak at redshift 2–3. To understand the complex interplay between gravity and feedback, we must resolve both the key physics within galaxies and map the impact of these processes over large scales, out into the cosmic web. The Advanced X-ray Imaging Satellite (AXIS) is a proposed X-ray probe mission for the 2030s with arcsecond spatial resolution, large effective area, and low background. AXIS will untangle the interactions of winds, radiation, jets, and supernovae with the surrounding interstellar medium across the wide range of mass scales and large volumes driving galaxy evolution and trace the establishment of feedback back to the main event at cosmic noon. This white paper is part of a series commissioned for the AXIS Probe mission concept; additional AXIS white papers can be found at the AXIS website.

47 OTHER INSTRUMENTATION↗

DOE OSTI2022

Future Circular Lepton Collider FCC-ee: Overview and Status

The worldwide High Energy Physics community widely agrees that the next collider should be a Higgs factory. Acknowledging this priority, in 2021 CERN has launched the international Future Circular Collider (FCC) Feasibility Study (FS). The FCC Integrated Project foresees, in a first stage, a high-luminosity high-energy electron-positron collider, serving as Higgs, top and electroweak factory, and, in a second stage, an energy frontier hadron collider, with a centre-of-mass energy of at least 100 TeV. In this paper, we address a few key elements of the FCC-ee accelerator design, its performance reach, and underlying technologies, as requested by the Snowmass process. The Conceptual Design Report for the FCC, published in 2019, serves as our primary reference. We also summarize a few recent changes and improvements.

43 PARTICLE ACCELERATORS↗

DOE OSTI2024

Coupled Experimental/Computational Investigation of the Dynamics of Interacting Magnetized Plasmas

The interaction, or interpenetration, of magnetized plasmas of different density and/or pressure occurs in a wide variety of natural and man-made systems. Such systems include extragalactic jets propagating into the intergalactic medium, solar coronal mass ejections into background solar wind, compact toroid (CT) fueling of magnetic fusion plasmas, and jets of capsule shell impurities into DT fusion fuel, which can lead to enhanced impurity mix in inertial fusion implosions. These plasmas may take the form of jets, with open, helical magnetic structure, or plasma “bubbles” with closed magnetic fields (B-fields), such as spheromaks or CT’s. Such structures, both open and closed B-field cases, can transport heat, particles and magnetic flux or magnetic helicity into background plasma regions. For example, the origin of extragalactic magnetic fields may be due, at least in part, to transport by astrophysical jets. The goal of this proposed work was to elucidate the detailed plasma and magnetic field dynamics of high-density plasma jets (open B-field) and bubbles (closed B-field) propagating into lower density background magnetized plasma through controlled laboratory experiments and closely coupled nonlinear MHD modeling. These experiments were conducted in the HelCat (Helicon-Cathode) linear plasma device at the University of New Mexico (UNM). Plasma jets and bubbles were launched via an existing compact coaxial plasma gun, mounted on the HelCat device. This gun produced plasmas tens of cm in scale and lasting tens of microseconds, thereby allowing detailed multipoint, space- and time-resolved measurements to be made routinely. The experiments were directly modeled using the extended magnetohydrodynamic (XMHD) PERSEUS code, developed at Cornell University [23,24]. Both experimental and numerical modeling work are ongoing. The main results to date are reported here. Additional supplemental funding for one year (8/1/2019 – 7/31/2020) supported numerical investigation of photoionization processes important in many low temperature plasmas, including the HelCat device. Initial results of this modeling work is also reported.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2023

Spin–vibronic coherence drives singlet–triplet conversion

Design-specific control over the transitions between excited electronic states with different spin multiplicities is of the utmost importance in molecular and materials chemistry. Previous studies have indicated that the combination of spin-orbit and vibronic effects, collectively termed the spin-vibronic effect, can accelerate quantum-mechanically forbidden transitions at non-adiabatic crossings. However, it has been difficult to identify precise experimental manifestations of the spin-vibronic mechanism. Here we present coherence spectroscopy experiments that reveal the interplay between the spin, electronic and vibrational degrees of freedom that drive efficient singlet-triplet conversion in four structurally related dinuclear Pt(II) metal-metal-to-ligand charge-transfer (MMLCT) complexes. Photoexcitation activates the formation of a Pt-Pt bond, launching a stretching vibrational wavepacket. The molecular-structure-dependent decoherence and recoherence dynamics of this wavepacket resolve the spin-vibronic mechanism. Further, we find that vectorial motion along the Pt-Pt stretching coordinates tunes the singlet and intermediate-state energy gap irreversibly towards the conical intersection and subsequently drives formation of the lowest stable triplet state in a ratcheting fashion. This work demonstrates the viability of using vibronic coherences as probes to clarify the interplay among spin, electronic and nuclear dynamics in spin-conversion processes, and this could inspire new modular designs to tailor the properties of excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Ecosystem Science with NISAR: Final Preparations in The Pre-Launch Period

The NISAR mission which in its most recent round of launch preparations was set to launch in the spring of 2024, and now delayed until later in the fall or early spring of 2025, will serve as an unprecedented resource for the Remote Sensing of Ecosystems Science community. The two frequency, L- and S-band will full-polarimetric capability over a 250 km wide swath using the SweepSAR technique [1] will collect reliable set of observations (60 per year; 30 each for ascending and descending passes) on a continuing basis that will allow for the modeling and observation of time-varying processes that are prevalent in the living environment broadly described as Ecosystems. Among the prime science goals of the NISAR Ecosystems disciplines are in the characterization of agriculture, disturbance, biomass, forest structure and water dynamics seen in the world’s rivers, coasts, and permafrost regions. In this paper we provide an overview of the Ecosystem science that will be enabled by the NISAR mission and give a status of the basic algorithms that are being used to provide a basic set of tools to the community to make use of the data that NISAR will provide.

Siqueira, Paul↗