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DOE OSTI2020

Logic in Memory Emulator

Logic in Memory Emulator (LiME) is a hardware/software tool specially designed for memory system evaluation and experiment. Emerging memories display a wide range of bandwidths, latencies, and capacities, making it challenging for the computer architect to navigate the design space of potential memory configurations, and for the application developer to assess performance implications of using such memories. With the LiME framework, architectural ideas can be prototyped in great detail yet with sufficient performance to support realistic evaluation on long running applications. LiME consists of two fundamental components: 1) the hardware and OS infrastructure for the emulator, and 2) a suite of benchmark applications to assist in characterizing the performance of current and future computer architectures. Some of the applications have been collected from other open source projects. Uses: Logging, replay and analysis of an application's memory behavior Evaluate impact of emerging memory technology on application performance. Emulate complex memory interactions in whole applications orders of magnitude faster than software simulation. Emulate acceleration hardware co-located with the memory subsystem. Features: Capture and log external memory accesses to a separate off-chip memory device without affecting application execution. Memory traces include the address, length, timestamp, and optionally the data for each transaction. Captured trace data can be saved to an SD card for off-line analysis. Configure a wide range of memory latencies in sub-nanosecond increments that encompass highbandwidth and storage class memories. Specify regions of interest (ROI) in applications to reduce the amount of trace data captured for analysis. Currently supports execution on Xilinx Zynq SoC which integrates an ARM processor with FPGA logic on a single device. Applications can be run under Linux or in bare metal mode on the ARM cores.

Jain, AbhishekK↗

DOE OSTI2020

Direct Recycling of Spent NCM Cathodes through Ionothermal Lithiation

Ionic liquids (ILs) are a family of nonconventional molten salts that offer many advantages, such as negligible vapor pressures, negligible flammability, wide liquidus ranges, good thermal stability, and much synthesis flexibility. The unique solvation environment of these ILs provides new reaction or flux media for controlling formation of solid-state materials with a minimum perturbation of morphologies. A successful lithiation via ionothermal synthesis using a cost-effective Li halide as Li source and recyclable ILs as solvents is reported in this study for the direct recycling of LiNi 1/3 Co 1/3 Mn 1/3 O 2 (NCM 111) cathodes. In addition, the ionic liquids can be readily recycled and reused after ionothermal lithiation. The lithiation of spent cathodes can enable the direct recycling of spent cathode materials in lithium-ion batteries.

25 ENERGY STORAGE↗

DOE OSTI2020

Impact of installation faults in air conditioners and heat pumps in single-family homes on U.S. energy usage

To ensure that new residential air conditioners and heat pumps operate optimally, care must be taken during the initial system design and installation to avoid missteps that immediately degrade a system’s performance. Laboratory and simulation studies have quantified the impact that faults can have on capacity and efficiency. Field studies have demonstrated that installation-related faults are commonplace. However, the national impact of installation-related faults cannot be accurately estimated by only simulating a limited number of homes at several fault levels because of the variety of home characteristics and climates involved. In our analysis, we use an improved residential building stock simulation tool to predict the annual energy increase and additional utility costs resulting from two common installation faults: indoor airflow rate and refrigerant charge level. Our method considers the wide range of building characteristics and climate zones of the U.S. housing stock. We use existing field data to develop fault intensity probability distributions to inform our analysis. The study shows that these two faults result in approximately 20.7 TWh/y of additional energy use for central air conditioners and air-source heat pumps in U.S. single-family detached homes, which is a 9% increase over baseline (no-fault) usage, costing homeowners approximately $2.5 billion annually on utility bills. Air-source heat pumps are responsible for a disproportionate fraction of this energy use increase because of the larger number of operating hours compared to central air conditioners and the sensitivity of heating mode performance to the faults analyzed compared to cooling mode.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2025

Manganese in drinking-water reservoirs: a multi-disciplinary review of current issues, biogeochemical controls, and oxygenation-based management

Decreased water quality and increased treatment costs due to excess manganese (Mn) in drinking-water supplies are critical issues globally. To combat on-going and emerging taste and odour issues with Mn and other contaminants (e.g., algal toxins), many utilities are using engineered oxygenation or aeration (EOA) systems to improve water quality in lakes and reservoirs. Resultant shifts in key biogeochemical and physical processes are still poorly understood, often leading to inefficiently managed systems. Paired with knowledge gaps regarding environmental drivers of Mn and the complexity of Mn redox kinetics, Mn problems persist. This review presents the state of current research in areas critical to optimisation of EOA mitigation of Mn, with focus on i) Mn biogeochemical cycling within drinking-water reservoirs; ii) influences of local catchment geology, hydrology, and land use on Mn dynamics; and iii) Mn management using different EOA approaches. The importance of considering the combined implications of these factors for successful Mn management in reservoirs is highlighted by an evaluation of relevant field-based studies; a wide range in EOA performance is observed, from a 97 % decrease in soluble Mn up to a ∼400 % increase in total Mn. Despite the breadth of studies that consider Mn in water-supply systems, there are still several areas of research which warrant further investigation, including: the influence of natural sources and anthropogenic activities on Mn within a given catchment, Mn speciation and transport in stratified and destratified lakes and reservoirs, and optimal site-specific EOA strategies for Mn mitigation.

Aeration↗

DOE OSTI2021

InterCarb: A Community Effort to Improve Interlaboratory Standardization of the Carbonate Clumped Isotope Thermometer Using Carbonate Standards

Abstract Increased use and improved methodology of carbonate clumped isotope thermometry has greatly enhanced our ability to interrogate a suite of Earth‐system processes. However, interlaboratory discrepancies in quantifying carbonate clumped isotope (Δ 47 ) measurements persist, and their specific sources remain unclear. To address interlaboratory differences, we first provide consensus values from the clumped isotope community for four carbonate standards relative to heated and equilibrated gases with 1,819 individual analyses from 10 laboratories. Then we analyzed the four carbonate standards along with three additional standards, spanning a broad range of δ 47 and Δ 47 values, for a total of 5,329 analyses on 25 individual mass spectrometers from 22 different laboratories. Treating three of the materials as known standards and the other four as unknowns, we find that the use of carbonate reference materials is a robust method for standardization that yields interlaboratory discrepancies entirely consistent with intralaboratory analytical uncertainties. Carbonate reference materials, along with measurement and data processing practices described herein, provide the carbonate clumped isotope community with a robust approach to achieve interlaboratory agreement as we continue to use and improve this powerful geochemical tool. We propose that carbonate clumped isotope data normalized to the carbonate reference materials described in this publication should be reported as Δ 47 (I‐CDES) values for Intercarb‐Carbon Dioxide Equilibrium Scale.

58 GEOSCIENCES↗

DOE OSTI2024

A machine learning decision criterion for reducing scan time for hyperspectral neutron computed tomography systems

We present the first machine learning-based autonomous hyperspectral neutron computed tomography experiment performed at the Spallation Neutron Source. Hyperspectral neutron computed tomography allows the characterization of samples by enabling the reconstruction of crystallographic information and elemental/isotopic composition of objects relevant to materials science. High quality reconstructions using traditional algorithms such as the filtered back projection require a high signal-to-noise ratio across a wide wavelength range combined with a large number of projections. This results in scan times of several days to acquire hundreds of hyperspectral projections, during which end users have minimal feedback. To address these challenges, a golden ratio scanning protocol combined with model-based image reconstruction algorithms have been proposed. This novel approach enables high quality real-time reconstructions from streaming experimental data, thus providing feedback to users, while requiring fewer yet a fixed number of projections compared to the filtered back projection method. In this paper, we propose a novel machine learning criterion that can terminate a streaming neutron tomography scan once sufficient information is obtained based on the current set of measurements. Our decision criterion uses a quality score which combines a reference-free image quality metric computed using a pre-trained deep neural network with a metric that measures differences between consecutive reconstructions. The results show that our method can reduce the measurement time by approximately a factor of five compared to a baseline method based on filtered back projection for the samples we studied while automatically terminating the scans.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Low-temperature access to active iron and iron/nickel nitrides as potential electrocatalysts for the oxygen evolution reaction

Low-temperature, scalable routes to transition metal nitride (TMN) nanoparticles are desirable for a wide range of applications, yet their synthesis typically requires high temperatures (>350 °C) and reactive gas environments (e.g., NH 3 or H 2 /N 2 ). Here, we report a colloidal synthesis of mono- and bimetallic TMN nanoparticles using preformed metal carbonyl clusters as precursors and urea or diethylenetriamine (DETA) as nitrogen sources. This strategy enables access to size-controlled, phase-pure ε-Fe 3 N x and Fe y Ni 3−y N nanoparticles at temperatures below 300 °C, without the need for flowing reactive gas atmospheres. By systematically varying nitrogen precursor, reaction temperature, and cluster identity, we achieve tunable nitrogen stoichiometry (x) and phase selectivity between N-rich and N-poor TMNs. Structural and magnetic characterization confirms clean decomposition of the precursors and phase formation consistent with controlled nitridation at the nanoscale. Preliminary electrochemical measurements in alkaline media demonstrate that these materials exhibit oxygen evolution reaction (OER) overpotentials comparable to RuO 2 , highlighting their viability for future electrocatalytic applications.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2022

Broadband Wide-Angle VElocity Selector (BWAVES) neutron spectrometer designed for the SNS Second Target Station

A recently proposed wide-angle velocity selector (WAVES) device for choosing the velocity of detected neutrons after they have been scattered by the sample paves the way for inverted geometry neutron spectrometers with continuously adjustable final neutron wavelength. BWAVES broadband inverted geometry spectrometer proposed for the Second Target Station at the Spallation Neutron Source at Oak Ridge National Laboratory is designed using WAVES to simultaneously probe dynamic processes spanning 4.5 decades in time (energy transfer). This makes BWAVES a uniquely flexible instrument which can be viewed as either a quasielasitc neutron scattering (QENS) spectrometer with a practically unlimited (overlapping with the vibrational excitations) range of energy transfers, or a broadband inelastic vibrational neutron spectrometer with QENS capabilities, including a range of accessible momentum transfer (Q) and a sufficiently high energy resolution at the elastic line. The new capabilities offered by BWAVES will expand the application of neutron scattering in ways not possible with existing neutron spectrometers.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Analysis of hydrogen fueling, recycling, and confinement at Wendelstein 7-X via a single-reservoir particle balance

Abstract A single-reservoir particle balance for the main plasma species hydrogen has been established for W7-X. This has enabled the quantitative characterization of the particle sources in the standard island divertor configuration for the first time. Findings from attached scenarios with two different island sizes with a boronized wall and turbo molecular pumping are presented. Fueling efficiencies, particle flows and source locations were measured and used to infer the total particle confinement time τ p . Perturbative gas injection experiments served to measure the effective particle confinement time τ p * . Combining both confinement times provides access to the global recycling coefficient R ¯ . Hydrogen particle inventories have been addressed and the knowledge of particle sources and sinks reveals the core fueling distribution and provides insight into the capability of the magnetic islands to control exhaust features. Measurements of hydrogen fueling efficiencies were sensitive to the precise fueling location and measured between 12% and 31% with the recycling fueling at the strike line modeled at only 6%, due to much higher densities. 15% of the total 5.2 × 10 22 a/s recycling flow ionizes far away from the recycling surfaces in the main chamber. It was shown that 60% of recycled particles ionize above the horizontal and 18% above the vertical divertor target, while the remainder of the recycling flow ionizes above the baffle (7%). Combining these source terms with their individual fueling efficiencies resolves the core fueling distribution. Due to the higher fueling efficiency in the main chamber, up to 51% of the total 5.1 × 10 21 s −1 core fueling particles are entering the confined plasma from the main chamber. τ p values in the range of 260 ms were extracted for these discharges. Together with τ p , the global recycling coefficient R ¯ was resolved for every τ p * measurement and a typical value close to unity was obtained. An increase of the island size, resulted in no change of τ p , but doubled τ p * , indicating the feasibility of the control coils as an actuator to control exhaust features without affecting core confinement properties.

recycling↗

DOE OSTI2023

Variability in modelled reservoir greenhouse gas emissions: comparison of select US hydropower reservoirs against global estimates

Abstract Greenhouse gas (GHG) emissions from reservoirs have most often been evaluated on a global extent through areal scaling or linear-regression models. These models typically rely on a limited number of characteristics such as age, size, and average temperature to estimate per reservoir or areal flux. Such approaches may not be sufficient for describing conditions at all types of reservoirs. Emissions from hydropower reservoirs have received increasing attention as industry and policy makers seek to better understand the role of hydropower in sustainable energy solutions. In the United States (US), hydropower reservoirs span a wide range of climate regions and have diverse design and operational characteristics compared to those most heavily represented in model literature (i.e., large, tropical reservoirs). It is not clear whether estimates based on measurements and modeling of other subsets of reservoirs describe the diverse types of hydropower reservoirs in the US. We applied the Greenhouse Gas from Reservoirs (G‐res) emissions model to 28 hydropower reservoirs located in a variety of ecological, hydrological, and climate settings that represent the range of sizes and types of facilities within the US hydropower fleet. The dominant pathways for resulting GHG emissions estimates in the case-study reservoirs were diffusion of carbon dioxide, followed by methane ebullition. Among these case-study reservoirs, total post-impoundment areal flux of carbon ranges from 84 to 767 mgCm −2 d −1 , which is less variable than what has been reported through measurements at other US and global reservoirs. The net GHG reservoir footprint was less variable and towards the lower end of the range observed from modeling larger global reservoirs, with a range of 138 to 1,052 g CO 2 eq m −2 y −1 , while the global study reported a range of 115 to 145,472 g CO 2 eq m −2 y −1 . High variation in emissions normalized with respect to area and generation highlights the need to be cautious when using area or generation in predicting or communicating emissions footprints for reservoirs relative to those of other energy sources, especially given that many of the hydropower reservoirs in the US serve multiple purposes beyond power generation.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Structural and biochemical insights into NEIL2’s preference for abasic sites

Cellular DNA is subject to damage from a multitude of sources and repair or bypass of sites of damage utilize an array of context or cell cycle dependent systems. The recognition and removal of oxidatively damaged bases is the task of DNA glycosylases from the base excision repair pathway utilizing two structural families that excise base lesions in a wide range of DNA contexts including duplex, single-stranded and bubble structures arising during transcription. The mammalian NEIL2 glycosylase of the Fpg/Nei family excises lesions from each of these DNA contexts favoring the latter two with a preference for oxidized cytosine products and abasic sites. We have determined the first liganded crystal structure of mammalian NEIL2 in complex with an abasic site analog containing DNA duplex at 2.08 Å resolution. Comparison to the unliganded structure revealed a large interdomain conformational shift upon binding the DNA substrate accompanied by local conformational changes in the C-terminal domain zinc finger and N-terminal domain void-filling loop necessary to position the enzyme on the DNA. The detailed biochemical analysis of NEIL2 with an array of oxidized base lesions indicates a significant preference for its lyase activity likely to be paramount when interpreting the biological consequences of variants.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

First experimental report of nonlinear collimator in the SuperKEKB

SuperKEKB collimator system protects the superconducting final focusing magnets (QC1 and QC2) from quenching caused by beam halo particles. For effective shielding, the minimum aperture of vertical collimators is set smaller than the physical aperture of QC1. However, such collimators become dominant sources of beam coupling impedance, which can limit the maximum beam current due to impedance-driven instabilities. To address this issue, a nonlinear collimator (NLC) was introduced in February 2024. NLC is designed to reduce both beam backgrounds and collimator impedance, thereby suppressing beam instabilities caused by short-range wakefields. In this paper, we describe the results on impedance effects, beam background reduction, and beam lifetime when the nonlinear collimation system is turned on and off. These results validate the NLC concept and offer a promising approach for future high-luminosity colliders.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2024

CO2 Transport Planning Database

The CO2 Transport Planning Database v3.0 is a geospatial resource, containing over 70 gigabytes of data representing critical considerations for the spatial routing of pipelines and transport of CO2, from source to sink. Considerations include state-specific legislation, land use requirements, existing infrastructure, and hazard prevention areas. Built to support strategic domestic energy transport planning and development, more than 60 layers of this database have been weighted (Weight fields) according to current legislation and pipeline construction recommendations. Weighted values range from zero to one, where zero represents potentially more acceptable areas for transport based on the various considerations, and a value of one represents areas that should be avoided. This geospatial database provides a baseline for the Smart CO2 Transport Planning Tool.

Boundaries↗

DOE OSTI2025

A Systems Framework to Enhance the Potential of Camelina as Oilseed Crop (Final Report)

To alleviate the dependency of the United States on fossil fuels, particularly from foreign sources, the transition to biofuel crops has long been proposed as a crucial part of the long-term solution. Camelina sativa has emerged as one of the most promising oilseed crops for domestic biofuel and bioproduct production due to its low agronomic input requirements, natural resilience to a wide range of biotic and abiotic stresses, and the successful testing and approval of its oil-based blends for use in liquid transportation fuels.

09 BIOMASS FUELS↗

DOE OSTI2024

Digital Miniature Cathode Ray Magnetometer

In this study, we introduce the concept and construction of an innovative Digital Miniature Cathode Ray Magnetometer designed for the precise detection of magnetic fields. This device addresses several limitations inherent to magnetic probes such as D.C. offset, nonlinearity, temperature drift, sensor aging, and the need for frequent recalibration, while capable of operating in a wide range of magnetic fields. The core principle of this device involves the utilization of a charged particle beam as the sensitivity medium. The system leverages the interaction of an electron beam with a scintillator material, which then emits visible light that is captured by an imager. The emitted scintillation light is captured by a CMOS sensor. This sensor not only records the scintillation light but also accurately determines the position of the electron beam, providing invaluable spatial information crucial for magnetic field mapping. The key innovation lies in the combination of electron beam projection, CMOS imager scintillation-based detection, and digital image signal processing. By employing this synergy, the magnetometer achieves remarkable accuracy, sensitivity and dynamic range. The precise position registration enabled by the CMOS sensor further enhances the device’s utility in capturing complex magnetic field patterns, allowing for 2D field mapping. In this work, the optimization of the probe’s performance is tailored for applications related to the characterization of insertion devices in light sources, including undulators.

Turqueti, Marcos↗

DOE OSTI2022

Possibility to Identify the Contributions from Collapsars, Supernovae, and Neutron Star Mergers from the Evolution of the r-process Mass Abundance Distribution

We study the evolution of rapid neutron-capture process (r-process) isotopes in the galaxy. We analyze relative contributions from core-collapse supernovae (CCSNe), neutron star mergers, and collapsars under a range of astrophysical conditions and nuclear input data. Here we show that, although the r-process in each of these sites can lead to a similar (universal) elemental distribution, the detailed isotopic abundances can differ from one site to another. These differences may allow for the identification of which sources contributed to the early evolution of r-process material in the galaxy. Our simulations suggest that the early evolution was dominated by CCSNe and collapsar r-process nucleosynthesis. This conclusion may be testable if the next generation of observatories can deduce isotopic r-process abundances.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

IceCube Search for Neutrinos Coincident with Compact Binary Mergers from LIGO-Virgo’s First Gravitational-wave Transient Catalog

Using the IceCube Neutrino Observatory, we search for high-energy neutrino emission coincident with compact binary mergers observed by the LIGO and Virgo gravitational-wave (GW) detectors during their first and second observing runs. In this paper, we present results from two searches targeting emission coincident with the sky localization of each GW event within a 1000 s time window centered around the reported merger time. One search uses a model-independent unbinned maximum-likelihood analysis, which uses neutrino data from IceCube to search for pointlike neutrino sources consistent with the sky localization of GW events. The other uses the Low-Latency Algorithm for Multi-messenger Astrophysics, which incorporates astrophysical priors through a Bayesian framework and includes LIGO-Virgo detector characteristics to determine the association between the GW source and the neutrinos. No significant neutrino coincidence is seen by either search during the first two observing runs of the LIGO-Virgo detectors. We set upper limits on the time-integrated neutrino emission within the 1000 s window for each of the 11 GW events. These limits range from 0.02 to 0.7 GeV cm -2 . We also set limits on the total isotropic equivalent energy, E iso , emitted in high-energy neutrinos by each GW event. These limits range from 1.7 × 10 51 to 1.8 × 10 55 erg. We conclude with an outlook for LIGO-Virgo observing run O3, during which both analyses are running in real time.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2022

Effect of modeled time horizon on quantifying the need for long-duration storage

Long-Duration Energy Storage (LDES) has gained interest due to its key role in attaining a decarbonized, low-cost, and stable grid driven by variable renewable electricity (VRE). Currently, there is a wide range of LDES technologies being developed to provide electricity with 8+ hours of consecutive discharge. However, current capacity expansion models used in long-term planning processes rarely consider low cost LDES as a candidate technology. If they do, the storage balancing horizon (SBH) of the model usually only considers non-consecutive 1-day periods that do not capture the potential of LDES to shift energy across multiple days or even seasons. Addressing these limitations in existing models, this work explores the ways in which the optimal energy storage changes when increasing the number of consecutive days in the SBH and how these changes will impact planners who are determining the future roles of energy storage. Our analysis uses SWITCH, an open-source capacity expansion model with a high spatial resolution for the entire Western Electricity Coordinating Council (WECC) in a zero-carbon scenario in 2050. We find that the number of consecutive days in the SBH changes both the total selected power and energy capacity of LDES when storage energy and power capacity overnight costs are $\$$13 USD/kWh (or less) and $113 USD/kW, respectively. We also find that the amount of required energy in storage to drive a future VRE-driven WECC grid ranges from 2.5 TWh to 16.0 TWh depending on the length of the SBH. The optimal storage duration (energy to power ratio) we obtain ranges from 10 h to 620 h among all the scenarios. Furthermore, depending on the storage cost assumption, we observe different charge/discharge patterns when varying the length of the SBH. Given our results, we anticipate that as more LDES technologies become commercially available, it will be critical to increase the length of the SBH to fully capture the benefits of LDES assets in long-term planning processes of high VRE-driven grids.

42 ENGINEERING↗