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At least 1,333 records · Page 74

SU(2) non-Abelian gauge field theory in one dimension on digital quantum computers

A dynamical quantum simulation of SU(2) non-Abelian gauge field theory on a digital quantum computer is presented here. This was enabled on current quantum hardware by introducing a mapping of the field onto a register of qubits that utilizes local gauge symmetry while preserving local constraints on the fields, reducing the dimensionality of the calculation. Controlled plaquette operators and gauge-variant completions in the unphysical part of the Hilbert space were designed and used to implement time evolution. The new techniques developed in this work generalize to quantum simulations of higher dimensional gauge field theories.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Complex Structure of Molten FLiBe (2 Li F – Be F 2 ) Examined by Experimental Neutron Scattering, X-Ray Scattering, and Deep-Neural-Network Based Molecular Dynamics

The use of molten salts as coolants, fuels, and tritium breeding blankets in the next generation of fission and fusion nuclear reactors benefits from furthering the characterization of the molecular structure of molten halide salts, paving the way to predictive capability of the chemical and thermophysical properties of molten salts. Due to its neutronic, chemical, and thermochemical properties, 2 Li F - Be F 2 is a candidate molten salt for several fusion- and fission-reactor designs. We performed neutron and x-ray total-scattering measurements to determine the atomic structure of liquid 2 Li F - Be F 2 . We also performed and neural-network molecular-dynamics simulations to predict the structure obtained by neutron- and x-ray-diffraction experiments. The use of machine learning provides improvements to the efficiency in predicting the structure at a longer length scales than is achievable with simulations at significantly lower computational expense while retaining near accuracy. We found that the NNMD simulations accurately predicted the Be F 4 2 − oligomer formations seen in the experimental first-structure-factor peak. Our combination of high-resolution measurements with large-scale molecular dynamics provided an avenue to explore and experimentally verify the intermediate-range ordering beyond the first-nearest neighbor that has posed too many experimental and computational challenges in previous works. With a deeper understanding of the salt structure and ion ordering, the evolution of salt chemistry over the lifetime of a reactor can be better predicted, which is crucial to the licensing and operation of advanced fission and fusion reactors that employ molten salts. To this end, this work will serve as a reference for future studies of salt structure and macroscopic properties with and without the addition of solutes. Published by the American Physical Society 2024

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Computational Elucidation of Mechanical Degradation in NMC Cathodes: Impact on Cell Performance

Next-generation lithium ion batteries are expected to demonstrate superior energy and power density with longer cycle life for successful electrification of the automobile, aviation, and marine industries. Adoption of lithium metal anodes with solid electrolytes can help to achieve that goal given that the dendrite-related issues are solved eventually. Another possibility is to use Ni-rich high-capacity NMC cathode materials with liquid and/or solid electrolytes, which presently experiences rapid capacity fade while charged to higher voltages. Several mechanical and chemical degradation mechanisms are active within these NMC-based cathode particles. Recent experimental research activities attempted to correlate the mechanical damage with the capacity fade experienced by Ni-rich LiNi x Mn y Co z O 2 (x+y+z = 1) (NMC) cathodes. Here, a computational framework is developed in this study capable of quantifying the evolution of inter primary particle and cathode/electrolyte interfacial fracture experienced by the poly- and single-crystalline NMC cathodes during charge/discharge operation. Influences of mechanical degradation on the overall cell capacity, while operating with liquid and/or solid electrolytes, are successfully characterized. Decreasing the size of the cathode primary particles, or the size of the single-crystalline cathodes, can mitigate the overall mechanical degradation, and subsequent capacity fade, experienced by NMC cathodes. The developed theoretical methodology can help the engineers and scientists to better understand the mechanical degradation mechanism prevalent in Ni-rich NMC cathodes and build superior lithium ion-based energy storage devices for the application in next-generation devices.

25 ENERGY STORAGE↗

Organ and Tissue-specific Sucrose Transporters. Important Hubs in Gene and Metabolite Networks Regulating Carbon Use in Wood-forming Tissues of Populus

The overall project objective was to probe the relationship between sucrose transporters and plant productivity in the biomass for biofuels woody perennial, Populus. At the time the proposal was written, sucrose transporters had already been investigated in many plant model systems, primarily with respect to the export of photosynthate sucrose from source leaves, and the uptake of sucrose in storage organs and seeds. Preliminary findings by the PI found that in Populus, sucrose transporter genes (SUTs) were well expressed in wood-forming tissues that comprise the feedstock for biofuels production. Because sucrose comprises by far the predominant form in which photosynthate is delivered from source organs to sink organs like roots and wood-forming tissues, SUTs control a gate that nominally at least could impact the allocation or partitioning of sucrose for potentially competing end uses like growth (stem biomass) and storage. In addition, water use might be conditioned by the way in which sucrose is distributed throughout the plant, and/or by the way in which sucrose is partitioned intracellularly. Several dozen transgenic lines were produced in year 1 of the project to perturb the expression ratio of multiple plasma membrane (PM) SUTs (intercellular trafficking), versus the single tonoplast membrane (TM) sucrose transporter that effectively regulates intracellular trafficking of sucrose. It was possible to obtain transgenic lines with dual SUT gene knockdown using the 35S promoter, but not the wood-specific TUA1 promoter. By the end of project year 2, a decision was made to work with the 35S plants while archiving the TUA1 plants. The PhD candidate charged with producing the transgenic lines abandoned the project during its second year, substantially contributing to the decision to operate with just the 35S lines. That student’s interests ranged more toward evolutionary topics, and a report on SUT gene evolution was published (Peng et al 2014).

59 BASIC BIOLOGICAL SCIENCES↗

Analysis Report for Exascale Storage Requirements for Scientific Data.

Over the next 10 years, the Department of Energy will be transitioning from Petascale to Exascale Computing resulting in data storage, networking, and infrastructure requirements to increase by three orders of magnitude. The technologies and best practices used today are the result of a relatively slow evolution of ancestral technologies developed in the 1950s and 1960s. These include magnetic tape, magnetic disk, networking, databases, file systems, and operating systems. These technologies will continue to evolve over the next 10 to 15 years on a reasonably predictable path. Experience with the challenges involved in transitioning these fundamental technologies from Terascale to Petascale computing systems has raised questions about how these will scale another 3 or 4 orders of magnitude to meet the requirements imposed by Exascale computing systems. This report is focused on the most concerning scaling issues with data storage systems as they relate to High Performance Computing- and presents options for a path forward. Given the ability to store exponentially increasing amounts of data, far more advanced concepts and use of metadata will be critical to managing data in Exascale computing systems.

97 MATHEMATICS AND COMPUTING↗

Cesium Ion Exchange with Crystalline Silicotitanate Literature Review

Crystalline silicotinante (CST) is planned for use as the ion exchange media to accomplish the cesium (Cs) decontamination of low-activity waste (LAW) in the current evolution of the Direct Feed Low-Activity Waste flowsheet. CST has yet to be deployed in a production-scale operating waste treatment facility on the Hanford Site. However, CST was used nearly 20 years ago to successfully treat approximately 270,000 gallons of supernatant waste in modular columns at Oak Ridge National Laboratory. As part of the technical maturation of the media for use at Hanford, an assessment of the state-of-the-art was performed by reviewing work in the technical literature. The review considered work from the U.S. Department of Energy (DOE) complex (i.e., national laboratories and government documents), the CST manufacturer, and the open technical literature nationally and internationally. The review focused on information most relevant to the caustic, high-sodium chemical environment typical of Hanford LAW. The topic areas explored in this literature review document include the following: CST structural and physical properties; Isotherm and batch contact data; Mass transport: intraparticle, interparticle, dispersion in the column; Column performance at multiple scales; Hydraulic performance; The effect of process conditions; Gas generation and retention behavior; Post-processing options for spent CST media The reviewed literature demonstrates that CST is well-suited for Cs decontamination of Hanford LAW. However, after consideration of the available literature data in these subject areas, some uncertainties regarding the application of CST for the treatment of Hanford LAW are identified and summarized. These uncertainties are areas where additional information may permit better prediction of CST performance or provide margin to facility operations and safety basis analyses.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Characteristics of Ultralow Aspect Ratio Toroidal Plasmas and Non-Solenoidal Startup and Edge Stability Studies at Near-Unity Aspect Ratio (Final Report)

This grant supported a long-term research and development program to explore the physics and technology of spherical tokamak (ST) plasma behavior at near-unity aspect ratio ( A ). The PEGASUS Toroidal Experiment is a university-scale ( R ) ~ 0.40 m, α ~ .35 m, I p ≤ 0.3 MA, B T ≤ 0.15 T) experiment that accesses A → 1, to provide large values of the normalized plasma current, I N = I p /α B T , or equivalently the toroidal field utilization factor I p / I TF . The research activities focused on: 1) developing the technique of Local Helicity Injection (LHI) as a viable means of initiating and growing an ST plasma without the use of a central solenoid; 2) exploring the equilibrium and stability properties of spherical tokamak plasmas at extremely low aspect ratio; and 3) obtaining new insights in the properties of the enhanced confinement H-mode regime at A ~ 1. The initial (Phase I) facility employed a unique high-stress central solenoid Ohmic for current drive and heating with simple magnet current waveforms. A subsequent major upgrade (Phase II) offered more flexible control of the plasma evolution along with a powerful LHI system for plasma initiation, heating and sustainment. The LHI technique consists of injection of high-density current streams into vacuum toroidal and vertical magnetic fields. These streams become unstable and support magnetic reconnection to allow the system to relax into a tokamak-like magnetic configuration. This program focused on: 1) development of electron current sources that provide sufficiently high injection currents in the challenging edge plasma region; 2) validation of theoretical limits to achievable I p arising from magnetic helicity and energy conservation plus absolute limits arising from relaxation to a minimal energy states; 3) tests of a power balance model to describe the evolution of the plasma current I p (t); and 4) study of magnetic fluctuations and their role in the I p evolution. This culminated in the production of toroidal currents of I p ≥ 0.2 MA with only ~8 kA of injected current. Operation with Ohmic induction alone in Phase I created plasmas with soft limits on the achievable I p and field utilization ( I p / I TF ~ 1) due to the onset of large low-order (2/1 or 3/2) internal resonant tearing modes. With the expanded capabilities in Phase II operation, methods employed to mitigate those modes and achieve I p / I TF > 1 were: 1) I TF ramp-downs; 2) non-solenoidal startup via LHI; and 3) extremely low I TF Ohmic operations assisted by LHI current injector pre-ionization. Extensive use of LHI-driven startup and drive for non-solenoidal operation produced favorable current profiles to stably operate tokamak plasmas with unprecedentedly high I N = I p / aB T ~ 15 and I p / I TF > 2. With strong reconnection-driven anomalous ion heating, this in turn provided access to tokamak plasmas with B t up to 100%, a world record 2 times higher than that previously achieved in advanced or spherical tokamaks. This high B t regime had a large fraction (~50%) of the plasma volume in a region of an absolute minimum- B configuration. The MHD stability limit in this regime was the ideal external kink mode without a stabilizing wall. These results provided the first demonstration of access to tokamak plasmas with very high B t , high i N , high elongation κ, and low internal inductance ℓ i , and as such served as a proof-ofprinciple for access to this long-sought ST regime. The naturally low B T needed for stability at A ≤ 1.2 reduces the L-H mode power threshold, P LH , so that H-mode plasmas were achieved with Ohmic heating alone. The power threshold for the transition to the H-mode regime was found to be 10× the accepted values from the ITER international scaling, confirming initial trends indicated by experiments on MAST and NSTX, and suggesting that the physics behind this transition is not yet fully understood. The density dependence of the transition and the observed insensitivity to whether the plasma is bounded by a limiter or magnetic divertor are consistent with the recent FM 3 model. Multiple unstable toroidal magnetic modes were measured during ELM (Edge Localized Mode) crashes, with generally lower toroidal mode numbers than seen at higher A , which was attributed to the larger peeling mode instability drive at low A . First-ever edge current profile measurements through an ELM crash showed current-carrying filaments were generated, as seen in ELM simulations and in electromagnetic blob transport theory.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Local limits of detection for anthropogenic aerosol-cloud interactions

Ship tracks are quasi-linear cloud patterns produced from the interaction of ship emissions with low boundary layer clouds. They are visible throughout the diurnal cycle in satellite images from space-borne assets like the Advanced Baseline Imagers (ABI) aboard the National Oceanic and Atmospheric Administration Geostationary Operational Environmental Satellites (GOES-R). However, complex atmospheric dynamics often make it difficult to identify and characterize the formation and evolution of tracks. Ship tracks have the potential to increase a cloud's albedo and reduce the impact of global warming. Thus, it is important to study these patterns to better understand the complex atmospheric interactions between aerosols and clouds to improve our climate models, and examine the efficacy of climate interventions, such as marine cloud brightening. Over the course of this 3-year project, we have developed novel data-driven techniques that advance our ability to assess the effects of ship emissions on marine environments and the risks of future marine cloud brightening efforts. The three main innovative technical contributions we will document here are a method to track aerosol injections using optical flow, a stochastic simulation model for track formations and an automated detection algorithm for efficient identification of ship tracks in large datasets.

54 ENVIRONMENTAL SCIENCES↗

Existing Methods for Grid Strength Assessment and Role of Hydropower in Future Grids

The power system is undergoing rapid evolution with increasing penetration of inverter-based resources (IBRs), large loads, microgrids, and power electronic devices. Ensuring reliable and stable operation of the modern power grid is a multi-faceted challenge that requires detailed understanding of this complex system. Dynamic stability is a major concern in maintaining the security of power grids as the generation mixes and large loads transitions to include high shares of power electronic devices. The operation of IBRs in regions with low system strength and higher grid impedances has been found to be the main reason behind many of the power system instabilities that manifest themselves in various types of oscillations and interactions that, if not properly addressed and damped, can jeopardize the reliable operation of the power system. Weak grid conditions compound such stability problems, particularly when many IBRs operate in proximity to and connect to weak power grids. Therefore, it is important to assess grid strength for planning, integration and operation of IBRs for a given power system. In this report, we aim to understand and classify existing methodologies for grid strength assessment, along with their limitations and future needs. Further, we aim to utilize the huge untapped potential in utilizing hydro energy resources in addressing some of the pertinent challenges of grid strength and reliable operation of modern power systems. Hydropower, historically valued for its flexibility and dispatchability, now faces new constraints due to reduced share of synchronous machines in the generation mix and seasonal variability of available water resources. Yet, these same plants present untapped potential beyond energy generation - notably, as providers of critical grid services. This report explores how hydropower plants, particularly through operation as synchronous condensers, can play a pivotal role in strengthening the grid amid evolving system dynamics.

13 HYDRO ENERGY↗

A new metrics framework for quantifying and intercomparing atmospheric rivers in observations, reanalyses, and climate models

We present a new atmospheric river (AR) analysis and benchmarking tool, namely Atmospheric River Metrics Package (ARMP). It includes a suite of new AR metrics that are designed for quick analysis of AR characteristics via statistics in gridded climate datasets such as model output and reanalysis. This package can be used for climate model evaluation in comparison with reanalysis and observational products. Integrated metrics such as mean bias and spatial pattern correlation are efficient for diagnosing systematic AR biases in climate models. For example, the package identifies the fact that, in CMIP5 and CMIP6 (Coupled Model Intercomparison Project Phases 5 and 6) models, AR tracks in the South Atlantic are positioned farther poleward compared to ERA5 reanalysis, while in the South Pacific, tracks are generally biased towards the Equator. For the landfalling AR peak season, we find that most climate models simulate a completely opposite seasonal cycle over western Africa. This tool can also be used for identifying and characterizing structural differences among different AR detectors (ARDTs). For example, ARs detected with the Mundhenk algorithm exhibit systematically larger size, width, and length compared to the TempestExtremes (TE) method. The AR metrics developed from this work can be routinely applied for model benchmarking and during the development cycle to trace performance evolution across model versions or generations and set objective targets for the improvement of models. They can also be used by operational centers to perform near-real-time climate and extreme event impact assessments as part of their forecast cycle.

58 GEOSCIENCES↗

Development of Emergency Intravehicular Spacesuit (EIS) assembly

A program was undertaken to develop and test two prototype pressure suits to operate at pressures up to 413 mm Hg (8.0 PSIG). The units were designated Emergency Intravehicular Spacesuits (EIS). Performance requirements, design evolution, testing performed, problems encountered, and final EIS configuration are reported.

Source record↗

Diagrammatic analysis of the density operator for nonlinear optical calculations Pulsed and CW responses

In the present paper a diagrammatic analysis of the density operator for the evaluation of nonlinear optical quantities is considered. The present approach extends earlier diagrammatic analysis by treating the time evolution of both the wave function and its complex conjugate. Time-ordered graphs result, each of which corresponds to a term in the density matrix. Examples involving the third-order susceptibility are discussed for both monochromatic and pulse excitation. In particular coherent rotational transient birefringence is discussed. The diagrams provide a convenient means by which nonlinear optical processes can be precisely defined and the susceptibility readily evaluated.

Yee, T. K.↗

Evolution and status of CFD techniques for scramjet applications

Computational Fluid Dynamics (CFD) methods are presently applied to the design and analysis of scramjet propulsion systems for missiles and aircraft operating at speeds in excess of Mach 5, in forms ranging from simple inviscid codes for parametric studies of inlet geometries to Navier-Stokes codes incorporating chemistry models which address complex scramjet combustion phenomena. Attention is given to the development history of CFD for the hypersonic regime, as well as to scramjet flowfield modeling in inlets, combustors and nozzles, and prospective development trends.

White, M. E.↗

The human quest in space; Proceedings of the Twenty-fourth Goddard Memorial Symposium, Greenbelt, MD, Mar. 20, 21, 1986

Papers are presented on the Space Station, materials processing in space, the status of space remote sensing, the evolution of space infrastructure, and the NASA Teacher Program. Topics discussed include visionary technologies, the effect of intelligent machines on space operations, future information technology, and the role of nuclear power in future space missions. Consideration is given to the role of humans in space exploration; medical problems associated with long-duration space flights; lunar and Martian settlements, and Biosphere II (the closed ecology project).

Burdett, Gerald L.↗

Glacial dynamics (glaciology)

Recent results are reviewed from studies of ice dynamics that relate to the objectives of the West Antarctic Ice Sheet initiative. The large amount of knowledge gained is emphasized. The best evidence shows that the ice sheet in West Antarctic is the most rapidly changing ice sheet on earth today. Its rate of change is much faster than most glaciologists had expected and it is changing in a manner much more complex than foreseen. It appears that the changes have two broad causes: a delayed but ongoing response to the termination of the last glaciation about 10,000 years ago; and automatic, internally caused flow adjustments. It is not fully known why the response to the last global termination is so delayed, nor is the operation of internal instabilities understood, and certainly the position has not yet been attained to predict the future course of the evolution of the ice sheet.

Whillans, Ian↗

Why are blue zhamanshinites blue? Liquid immiscibility in an impact melt

A study of the cause of the coloration of blue zhamanshinites, which are glassy impact melt rocks from the Zhamanshin crater in the USSR are reported. It is found that the blue color results from Rayleigh scattering from spherical, 100 nm-diameter inclusions of a separate Ca-Fe-Mg-P-rich silicate glass. These observations can best be explained by the operation of liquid immiscibility in the zhamanshinite melt, and suggest that liquid immiscibility may have a more general role in impactite evolution.

Zolensky, Michael E.↗

Latent and sensible heat flux estimated from ERS-1 data

Two issues regarding surface latent and sensible heat flux are addressed: its value in low wind speed conditions over the tropical oceans,and its determination solely from satellite observations. The investigation is performed with an oceanic mixed layer model operated in an 'inverse' mode. The 'normal' model is forced with the surface heat and radiative fluxes and produces the SST evolution, whereas the 'inverse' model produces the latent sensible heat flux given the SST and surface radiative flux as input. The results indicate that at low wind speeds there exists a minimum latent sensible heat flux of about 80 to 100 W/sq m. Sensitivity studies show that the latent sensible heat flux is very sensitive to random errors in the forcing SST time series. The implications of this strong sensitivity in regards to the use of satellite measurements to supply the forcing SST are discussed.

Iacobellis, S. F.↗

Cesium and Rubidium Frequency Standards Status and Performance on the GPS Program

This paper is an update of the on-orbit operational performance of the frequency standards on the last Block 1 Navstar satellite (GPS-10), the complete Block 2 Navstar satellites (GPS-13 to 21) and the Block 2A Navstar (GPS-22 to 40) satellites. Since the status of the GPS constellation is now at full operational capability (FOC), a minimum of twenty-four satellites are in position with all the necessary tests successfully completed. The evolution of frequency standards on board the GPS vehicles will be presented with corresponding results. Various methods and techniques will be presented to show on-orbit life time, down time, state of health telemetry, on-orbit trending and characterization of all the frequency standards. Other topics such as reliability, stability, clock quirks and idiosyncrasies of each vehicle will be covered.

VanMelle, M. J.↗