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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 469 records · Page 26

ARES v1.x - Performance Portable Tool to Simulate Supernovae based on Parthenon Framework

Historically, codes for simulating supernovae (such as Arepo, FLASH or LEAFS) have been at the forefront of scientific high-performance computing to the immense computational resources required for full 3D simulations. However, given the shift towards heterogenous HPC architectures, many current-generation codes are at the risk of losing their competitiveness as they are only designed to run on homogeneous CPU-only systems. There exist several efforts to enable these codes for GPU’s, however, these efforts only consider specific architectures or vendors (e.g., implement only CUDA or HIP), limiting themselves to a small range of exascale computing systems. Frameworks such as Kokkos aim to provide a framework which is agnostic of the targeted architecture, enabling the development of performant and portable code. In the Ares code, we develop a performance portable tool to simulate supernovae based on the Parthenon Framework, which in turn uses Kokkos in the background. Here, the Parthenon Framework provides an interface to the underlying mesh-refinement routines, which form the backbone of our code. In addition, we incorporate the already existing Singularity-EOS toolkit to provide us with various equations of state, primarily the Helmholtz equation of state. We also include the JINA Reaclib as a basis for our nuclear network solver. Finally, we implement a gravity solver to complete the required physics. This setup will provide us with a minimal code base to simulate supernova in a similar style to the tried-and-tested Arepo code, but in a futureproof performance portable framework.

Lim, Hyun↗

Metrics for evaluating tropical cyclones in climate data

This manuscript describes a software suite that can be used for objective evaluation of tropical cyclones (TCs) in gridded climate data. Using cyclone trajectories derived from 6-hourly data, a comprehensive set of metrics is defined to systematically compare and contrast products to one another. In addition to annual TC climatologies, attention is paid to spatial and temporal patterns of storm occurrence and intensity. Assessment can be performed either on the global scale or regional domains. Simple to visualize ‘scorecards’ allow for rapid credibility assessment. We showcase three key findings enabled by this suite. First, we compare the representation of TCs in seven current-generation global reanalyses and conclude that higher resolution models and those with TC-specific assimilation contain more accurate storm climatologies. Second, using a free-running Earth system model (ESM) we find that full basin refinement is required in variable-resolution configurations to adequately simulate North Atlantic TC frequency. Furthermore, upstream refinement over northern Africa offers little benefit in simulating storm occurrence but spatial genesis patterns are improved. Finally, we show that TCs simulated by ESMs can be highly sensitive to individual parameterizations in climate models, with North Atlantic TC metrics varying greatly depending on version of the Morrison-Gettelman microphysics package.

54 ENVIRONMENTAL SCIENCES↗

Assessing Tropical Cyclones’ Contribution to Precipitation over the Eastern United States and Sensitivity to the Variable-Resolution Domain Extent

Tropical cyclones (TCs) can subject an area to heavy precipitation for many hours, or even days, worsening the risk of flooding, which creates dangerous conditions for residents of the U.S. East and Gulf Coasts. To study the representation of TC-related precipitation over the eastern United States in current-generation global climate models, a novel analysis methodology is developed to track TCs and extract their associated precipitation using an estimate of their dynamical outer size. This methodology is applied to three variable-resolution (VR) configurations of the Community Atmosphere Model, version 5 (CAM5), with high-resolution domains over the North Atlantic and one low-resolution conventional configuration, as well as to a combination of reanalysis and observational precipitation data. Metrics and diagnostics such as TC counts, intensities, outer storm sizes, and annual mean total and extreme precipitation are compared between the CAM5 simulations and reanalysis/observations. The high-resolution VR configurations outperform the global low-resolution configuration for all variables in the North Atlantic. Realistic TC intensities are produced by the VR configurations. The total North Atlantic TC counts are lower than observations but better than reanalysis.

54 ENVIRONMENTAL SCIENCES↗

A Machine Learning Correction Model of the Winter Clear-Sky Temperature Bias over the Arctic Sea Ice in Atmospheric Reanalyses

Atmospheric reanalyses are widely used to estimate the past atmospheric near-surface state over sea ice. They provide boundary conditions for sea ice and ocean numerical simulations and relevant information for studying polar variability and anthropogenic climate change. Previous research revealed the existence of large near-surface temperature biases (mostly warm) over the Arctic sea ice in the current generation of atmospheric reanalyses, which is linked to a poor representation of the snow over the sea ice and the stably stratified boundary layer in the forecast models used to produce the reanalyses. These errors can compromise the employment of reanalysis products in support of polar research. Here, we train a fully connected neural network that learns from remote sensing infrared temperature observations to correct the existing generation of uncoupled atmospheric reanalyses (ERA5, JRA-55) based on a set of sea ice and atmospheric predictors, which are themselves reanalysis products. The advantages of the proposed correction scheme over previous calibration attempts are the consideration of the synoptic weather and cloud state, compatibility of the predictors with the mechanism responsible for the bias, and a self-emerging seasonality and multidecadal trend consistent with the declining sea ice state in the Arctic. The correction leads on average to a 27% temperature bias reduction for ERA5 and 7% for JRA-55 if compared to independent in situ observations from the MOSAiC campaign (respectively, 32% and 10% under clear-sky conditions). These improvements can be beneficial for forced sea ice and ocean simulations, which rely on reanalyses surface fields as boundary conditions.

54 ENVIRONMENTAL SCIENCES↗

On-chip terahertz emission from Floquet-Bloch states [Invited]

Floquet engineering uses time-periodic electromagnetic fields to modify the electronic properties of quantum materials via the creation of Floquet-Bloch states. These photon-dressed states inherit features from both the material and the driving field, enabling the exploration and control of quantum phenomena in light-matter hybrid systems. In non-centrosymmetric materials, shift currents can arise from the quantum geometric properties of electronic wavefunctions. However, shift currents from Floquet-Bloch states remain experimentally unexplored. Here, we employ an on-chip optoelectronic circuit to detect intrinsic terahertz emission from Floquet-Bloch states in T d -WTe 2 under intense optical driving. We observe strong edge-localized terahertz emission that scales linearly with the driving field, consistent with the theoretical prediction for shift currents generated by Floquet-Bloch states. The results advance our understanding of strongly driven quantum materials and provide insights for developing efficient, bias-free terahertz sources for future optoelectronic technologies.

Li, Xinyu [Max Planck Institute for the Structure ↗

Spinning metasurface stack for spectro-polarimetric thermal imaging

Spectro-polarimetric imaging in the long-wave infrared (LWIR) region plays a crucial role in applications from night vision and machine perception to trace gas sensing and thermography. However, the current generation of spectro-polarimetric LWIR imagers suffers from limitations in size, spectral resolution, and field of view (FOV). While meta-optics-based strategies for spectro-polarimetric imaging have been explored in the visible spectrum, their potential for thermal imaging remains largely unexplored. In this work, we introduce an approach for spectro-polarimetric decomposition by combining large-area stacked meta-optical devices with advanced computational imaging algorithms. The co-design of a stack of spinning dispersive metasurfaces along with compressive sensing and dictionary learning algorithms allows simultaneous spectral and polarimetric resolution without the need for bulky filter wheels or interferometers. Our spinning-metasurface-based spectro-polarimetric stack is compact (<10×10×10cm) and robust, and it offers a wide field of view (20.5°). We show that the spectral resolving power of our system substantially enhances performance in machine learning tasks such as material classification, a challenge for conventional panchromatic thermal cameras. Our approach represents a significant advance in the field of thermal imaging for a wide range of applications including heat-assisted detection and ranging (HADAR).

Optics↗

Multimodal and In-Situ Chemical Imaging of Critical Surfaces and Interfaces in Li Batteries

Interfaces play a critical role in the properties and lifetime of current generation and advanced batteries. However, detailed characterization of the critical interfaces during battery operation which can enable performance improvements and improved design has been a significant challenge requiring innovative technique development and creative experiments. This paper describes ways that information from a range of microscopy, spectroscopy, and spectrometry tools can be used to address important challenges associated with energy storage science and technology, in particular the development of advanced batteries for consumer use, transportation, , and renewable storage. Expanding the types of measurements that can be made on operational model batteries has significantly expanded the type and quality of information that can be obtained. This paper first shows examples of approaches being used to collect in situ transmission electron microscopy (TEM), secondary ion mass spectrometry (SIMS) and x-ray photoelectron spectroscopy data. The final section of the paper briefly shows two examples: the use of in situ XPS to examine SEI layers and a variety of methods including scanning TEM, atom probe tomography, scanning transmission x-ray microscopy (STXM), and x-ray adsorption near edge spectroscopy to understanding improve the performance of layered lithium transition metal oxide (LTMO) cathodes .

interface analysis, batteries in situ method, batt↗

Preparation of 1,3-Dihydroxyphenazine

The ability to effectively store energy produced by intermittent renewable sources is a critical challenge for chemists and materials scientists. Redox flow batteries (RFB), which generate current by the flow of electrons between dissolved redox active compounds in separate solutions, are envisioned as a method to store renewable energy at the electrical grid scale. The best known examples of RFBs are driven by redox active metal or main group complexes. Within the past decade, redox active organic molecules have begun to be used in the construction of RFBs with high cell potential and cycle stability, at economical price points. Of particular interest are substituted dihydroxy phenazines, a class of heterocycles, that have recently been used as an anolyte for aqueous organic RFBs. Recent work indicates that different regioisomers of dihydroxyphenazine show dramatically different solubility and stability under electrochemical cycling conditions. Of particular interest was 1,3-dihydroxyphenazine (1,3-DHP), which showed greater than 1.5 M solubility in 2M KOH and excellent electrochemical stability. Current methods of producing 1,3-DHP, however, are low yielding and cumbersome. In the article proposal that follows, we offer an improved method of producing 1,3-DHP at high purity and moderate yield. The method detailed below was used by the Materials Engineering Research Facility (MERF) at Argonne National Lab to deliver more than 1.5 kg of this compound for use in the construction of aqueous organic RFBs.

Dzwiniel, Trevor [Argonne National Laboratory (ANL↗

Automated Vehicle Feasibility Study

This study collected automated vehicle (AV) performance data on public roadways in Athens, Ohio. The route for the study contained a combination of roads with different functional classifications, conditions, annual average daily traffic, and ownership responsibilities for maintenance and repair. Preparation for the public road deployment was done in a controlled environment at Transportation Research Center’s SMARTCenter, a dedicated AV test facility in East Liberty, Ohio. Researchers analyzed data and extracted insights relevant for both AV developers and infrastructure owners and operators. The study found that rural environments offer a unique set of roadway features such as hills and curves, which can challenge the driving behavior of an AV. Rural regions can also contain a large number of low-traffic gravel roads that lack pavement markings, which appear to be a crucial infrastructure element for operation of current generation AVs. Similarly, the presence of well-maintained lane lines along curves can influence the AV’s roadway departure tendencies. The study found that curvature-related behavior of an AV is also influenced by driving speed on the roadway segment. Such findings were consistent regardless of the time of day along the route or season of data collection. However, commentary about AV performance in active adverse weather cannot be made, as this is still an area of active research.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Vancouver 2: Improving Programmability of Contemporary Heterogeneous Architectures, Final Report

The University of Oregon (UO) was a partner in the Vancouver 2 project together with Oak Ridge National Laboratory (ORNL), the University of Illinois-Urbana/Champaign (UIUC), and the Geor- gia Institute of Technology (GT). UO’s objective in the project was to advance the performance technology for evolving heterogenous computing systems, especially for exascale platforms. During the project period, our efforts focused on the advances taking place in manycore and accelera- tor processors, specifically those found in GPU and MIC devices. In addition to the design and development of novel performance measurement and analysis techniques, UO demonstrated these capabilities on real HPC applications and current generation heterogeneous machines. The following final report summarizes our accomplishments during the Vancouver 2 project, highlighting research work in the recent year (Year 3).

97 MATHEMATICS AND COMPUTING↗

STTR Phase I: Low-Cost, High-Accuracy, Whole-Building Carbon Dioxide Monitoring for Demand Control Ventilation

This STTR Phase I project assessed the feasibility of a new CO 2 sensing system optimized for low-cost, high-accuracy, whole-building monitoring for use in demand control ventilation. The focus was on the development of a wireless networking platform and associated firmware to provide signal conditioning and conversion, fault- and disruptiontolerant networking, and multi-hop routing at building scales to avoid wiring costs. Early exploration of a bridge (or “gateway”) to direct digital control services was also explored. Results of the project contributed to an improved understanding of a new electrochemical sensor for monitoring indoor CO 2 concentrations, as well as the electronics and networking infrastructure required to deploy those sensors at building scales. New knowledge was acquired concerning the sensor’s accuracy, environmental response, and failure modes, and the acquisition electronics required to achieve accuracy over a wide range of CO 2 concentrations. The project demonstrated that the new sensor offers repeatable correspondence with commercial optical sensors, with supporting electronics that offer gain accuracy within 0.5%, and acquisition accuracy within 1.5% across three orders of magnitude variation in generated current. Considering production, installation, and maintenance costs, the technology presents a foundation for achieving whole-building CO 2 sensing at a price point below $0.066 / sq-ft – meeting economic feasibility criteria established by the Department of Energy. The technology developed under this award addresses obstacles on the critical path to enabling whole-building CO 2 sensing and demand control ventilation in commercial retrofits, small commercial buildings, residential complexes, and other highpotential structures that have been slow to adopt these technologies. It presents an opportunity to significantly reduce energy use throughout the United States.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Improved Ion Resistance for III-V Photocathodes in High Current Guns

GaAs negative electron affinity photocathodes have been used in many applications as efficient electron emitters due to their high quantum efficiency. Cs and NF3 are widely used to activate GaAs, especially for polarized electron sources used in accelerators. However, GaAs photocathodes are sensitive to contaminants so they need to be operated in the very best vacuum environment. This limits the use of GaAs photocathodes in the current generation of accelerators employing rf guns, which generally have a more severe environment than dc guns. Mulhollan found that by adding Li to the Cs+NF 3 activation process, the immunity of GaAs photocathode from contaminants can be enhanced, but the role of Li was not well understood. In addition, Li and F interaction has been of general interest in many applications, such as the role LiF plays in the improved electron transfer from cathodes to organic light emitting diodes.

43 PARTICLE ACCELERATORS↗

System Studies for Global Nuclear Assurance & Security: 3S Risk Analysis for Small Modular Reactors (Volume I)—Technical Evaluation of Safety Safeguards & Security

Coupling interests in small modular reactors (SMR) as efficient and effective method to meet increasing energy demands with a growing aversion to cost and schedule overruns traditionally associated with the current fleet of commercial nuclear power plants (NPP), SMRs are attractive because they offer a significant relative cost reduction to current-generation nuclear reactors—increasing their appeal around the globe. Sandia's Global Nuclear Assurance and Security (GNAS) research perspective reframes the discussion around the "complex risk" of SMRs to address interdependencies between safety, safeguards, and security. This systems study provides technically rigorous analysis of the safety, safeguards, and security risks of SMR technologies. The aim of this research is three-fold. The first aim is to provide analytical evidence to support safety, safeguards, and security claims related to SMRs (Study Report Volume I). Second, this study aims to introduce a systems-theoretic approach for exploring interdependencies between the technical evaluations (Study Report Volume II). The third aim is to demonstrate Sandia's capability for timely, rigorous, and technical analysis to support emerging complex GNAS mission objectives.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Array Effects in Large Wind Farms: Cooperative Research and Development Final Report, CRADA Number CRD-15-590

The effects of wind turbine wakes within operating wind farms has a substantial impact on the overall energy production from the farm. The current generation of models drastically underpredicts the impact of these wakes offshore leading to non-conservative estimates of energy capture and financial losses to wind farm operators and developers. To improve these models, detailed research of operating wind farms is necessary. Cornell University is a world leader of wind farm wakes effects and would like to partner with NREL to help improve wind farm modeling (by gathering additional wind farm data), develop better models and increase collaboration with European researchers working in the same area.

17 WIND ENERGY↗

Robust RF Photocathodes (Phase II Final Report)

This program addressed requirements for photocathodes with high quantum efficiency (QE) and long lifetimes. Currently, photocathodes with QEs above 1% exhibit lifetimes measured in a few hours. This is unacceptable for commercial devices using photocathodes as the electron source. This includes accelerators for industrial, medical, defense, and educational applications as well as emerging applications, such as time resolved electron microscopy. Calabazas Creek Research, Inc. (CCR) and the University of Maryland (UMD) attempted to develop reservoir photocathodes that dramatically increased lifetime and increased the ability to recover from contaminating events, such as loss of system vacuum. The Phase I program demonstrated the viability of the reservoir approach for higher QE cathodes. The Phase II program focused on design, fabrication, and delivery. This included increasing understanding of photocathode physics, investigating design options, addressing performance issues, and developing fabrication and packaging techniques leading to commercial products. The initial task identified specific photocathode materials that provide high QE and are compatible with the reservoir approach. The goal was that these photocathodes be manufacturable in a production environment, understanding that the “environment” is highly specialized. The photocathode geometry was modified to address several photogun performance issues related primarily to emittance. A goal was to reduce or eliminate thermal emittance issues arising from the reservoir heater. The program developed fabrication, handling, and transport techniques and facilities to allow commercial photocathode production for certain materials. Not only was complex chemistry involved, but practical issues of transporting and installing the cathodes into user systems were addressed. A critical goal was demonstration of reservoir photocathodes in operating RF guns, where performance could be directly measured. Success depended on clear demonstration that the cathodes could be produced, delivered, installed, and provide the required performance. The principal effort in this program was to develop reservoir cesium antimonide photocathodes. Cesium antimonide cathodes provide a work function in excess of the 1% goal, while the current generation exhibits lifetimes measured in hours. The reservoir in CCRs’ controlled porosity reservoir (CPR) cathodes provides a mechanism for replacing cesium evaporating from the surface by transporting replacement cesium from the reservoir. This is accomplished by gently heating the reservoir to induce cesium diffusion through micron-scale pores in the reservoir cap and photocathode emitter. Experiments at the UMD determined that cesium diffused from the reservoir would only react with antimony on the surface if the temperature exceeded 300C. At this temperature, however, the surface cesium evaporated faster than it could be replenished from the reservoir. Consequently, the QE decreased each time recessiation was attempted. This appears to be a fundamental problem with this approach. The sections below provide information on accomplishments for each task in the program. Once the issue with cesium antimonide cathodes was identified, CCR refocused the program to begin investigation of graphene coated photocathodes in collaboration with SLAC National Accelerator Laboratory (SLAC). The photocathode test chamber developed in the program was transferred to SLAC for use in the graphene research. This is described below in a task added to the program.

43 PARTICLE ACCELERATORS↗

Advanced Microscopy and Spectroscopy for Probing and Optimizing Electrode-Electrolyte Interphases in High Energy Lithium Batteries (Final Scientific/Technical Report)

The earliest developed LiCoO 2 layered oxide cathode material sparked the development of other layered cathode materials, dominating the positive electrode materials for lithium ion batteries. Within the practical operating conditions of today, the current generation layered oxide materials do not meet the future energy storage demands of 350 Wh kg -1 at cell level. Li-rich layered oxide (LRLO) materials have the potential to meet the high energy demands. Unlike the classical layered oxides, LRLO materials exhibit capacities that go beyond conventional topotactic mechanistic theoretical values. Despite its high capacities, this material has several challenges (voltage fading, structural instability, sluggish kinetics, cathode electrolyte interphase instability, etc.) that must be overcome in order to reach commercialization. In the past five years, our research group has made great progress on developing advanced characterization techniques coupled with atomic scale modeling to properly characterize the dynamic phenomena that govern the performance limitations of LRLO materials. Furthermore, our efforts have guided the material synthesis and surface modification to improve capacity retention. By carefully controlling the oxygen activities through the creation of uniform oxygen vacancies, we were able to avoid structural decomposition in LRLO. Our materials deliver a discharge capacity as high as 306 mAh g -1 with an initial coulombic efficiency of 90.6%. Furthermore, they do not exhibit obvious capacity decay with a reversible capacity over 300 mAh g -1 after 100 cycles at 0.1 C-rate. Our approach demonstrates the critical needs for advanced diagnosis and characterization. It is through the in-depth understanding of these high voltage cathode materials at atomistic and molecular level and their dynamic changes during the operation of batteries; we can successfully formulate strategies to further optimize this class of cathode materials, especially for the voltage instabilities. The diagnostic tools developed here can also be leveraged to study anode materials such as Li metal anode. The challenge of probing Li metal is the low dose tolerance (high beam sensitivity) of Li metal. We will have to apply cryogenic method (low-temperature) and low-dose electron microscopy and specialized camera to enable the characterization of the lithium metal.

25 ENERGY STORAGE↗

High Penetration Power Electronics Grid: Modeling and Simulation Gap Analysis

Increased penetration of power electronics in the grid is happening through development of high-power drives (like in Type 3 or 4 wind turbines, industrial drives, etc.), high-voltage direct current (HVdc) systems, flexible alternating current transmission systems (FACTS), energy storage systems (ESSs), inverter-based renewables like solar and wind, electric vehicle chargers, and other technologies. Ongoing research and development in new power electronic technologies including, but not limited to, solid-state power substations (SSPS), extreme fast charging (XFC), solid-state transformers, and multi-port power electronics that integrate multiple sources/loads will further increase penetration levels. To ensure stakeholders can integrate high penetration of power electronic technologies safely and reliably requires tools and methods to assess and evaluate their impact on the grid. Objectives: This report surveys, assesses, and analyzes commercially available and open-source tools that can support the assessment and evaluation of power electronics in future grids with high penetration levels. The study includes aspects that range from power flow analysis to dynamics evaluation (including hardware-in-the-loop – HIL testing) for such systems. The challenges and gaps associated with the current generation of toolsets available to assess the technical impact of introducing high penetration of power electronics are reported. The method is summarized in Figure ES-1.

24 POWER TRANSMISSION AND DISTRIBUTION↗

High Temperature Gas Sensor for Coal Combustion System

Robust gas sensors that offer real-time feedback about combustion in coal-fired power plants promise greater energy efficiency with fewer harmful emissions while also improving the bottom line for power generators. Currently, no technology meets this objective. Therefore, the objectives of this project are to develop an accurate, robust, reliable, high temperature sensor offering near real-time feedback to plant operators using a novel catalytic/non-catalytic sensor design to detect target gases available for oxidization. Such a sensor would inform power plant operators how to adjust the amount of fuel and air for an optimal performance.

01 COAL, LIGNITE, AND PEAT↗