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Injection mechanisms in a III -nitride light-emitting diode as seen by self-emissive electron microscopy

Here, we report on the investigation of an electrically biased high efficiency green III-nitride light-emitting diode (LED) by electron emission microscopy (EEM) using a low-energy electron microscope (LEEM). The surface of the LED was activated to negative electron affinity via deposition of a submonolayer of Cs. With the illumination column of the LEEM turned off, upon electrical injection of the LED, we directly image the hot electrons generated by eeh Auger-Meitner nonradiative processes that diffuse through the top p-Ga N layer and emit out the surface of the biased LED. By determining the source of emitted electrons using complementary electron emission spectroscopy measurements, EEM allows us to effectively map the carrier density within the LED. Using EEM, we observed nonelectron emitting regions with a density of approximately 3 × 10 8 cm -2 , identified as V-shaped defects (V-defects). This is confirmed through the corresponding dark spots of panchromatic cathodoluminescence measurements of the same sample and by plan-view transmission electron microscopy. The absence of electron emission at the sidewall of the V-defects can be attributed to several factors, including reduced carrier density in the sidewall quantum wells due to carriers traveling fast through the semipolar sidewalls before being injected into the planar quantum wells, the reduced population of hot electrons surviving diffusion through the thicker p-GaN filling in the V-defect before emission onto vacuum, and a smaller Auger-Meitner coefficient for the low In content semipolar sidewall quantum wells. The stronger electron emission observed at the ridges of most V-defects compared to the planar quantum well regions indicates larger local injected carrier densities, confirming that V-defect sidewalls allow for strong lateral carrier injection when compared to the weaker vertical injection away from the V-defect as evidenced by the weaker electron emission intensity away from the V-defects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

FY2020 Energy Efficient Mobility Systems Annual Progress Report

EEMS Program activities during FY 2020 focused on analytical research and large-scale modeling and simulation to understand the impacts that new mobility technologies and services will have at the vehicle-, traveler-, and overall transportation system-level. This research included the development of a multi-fidelity, end-to-end transportation system models and tools to evaluate the complex interactions among the various actors within the mobility landscape, analysis of empirical data to characterize which solutions may provide the largest benefits, and development of new control systems and algorithms that use vehicle connectivity and automation to improve the performance and efficiency of individual vehicles as well as the overall traffic system. This document presents a brief overview of the EEMS Program and documents progress and results from projects within each of the EEMS activity areas. The Computational Modeling and Simulation key activity area summarizes work within the sub-areas of (1) the SMART (Systems and Modeling for Accelerated Research in Transportation) Mobility Lab Consortium, (2) Artificial Intelligence, High-Performance Computing, and Data Analytics, and (3) Core Simulation and Evaluation Tools. Additionally, the program’s advanced R&D projects are summarized within (4) the Connectivity and Automation Technology key activity area. Each of the individual progress reports provide a project overview and highlights of the technical results.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Exploring Decarbonization and Clean Energy Pathways for Disadvantaged Communities in California

California has a state-wide goal of carbon neutrality by 2045. Decarbonization for disadvantaged communities (DACs) poses extra challenges due to financial, informational, language, and other barriers. This paper presents the methodology, results, and analysis of energy efficiency measures (EEMs) to save energy, reduce CO 2 emission, and promote clean energy access at the district scale for two DACs in Fresno, California. The methods are broadly applicable to other neighborhoods across the U.S. 22 EEMs were identified and modelled for all residential buildings in the two DACs both individually and as packages. Results show that for energy and CO 2 reduction purposes, the top performing EEM package can decrease energy use and CO 2 emissions by an average of 60%. For electrification, heat pump water heaters are a viable solution, coupled with air source or mini-split heat pumps. Replacing gasoline vehicles with electric vehicles is another important measure in electrification and reducing GHG emissions.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Energy Efficient Mobility Systems (2022 Annual Progress Report)

DOE conducts research to understand how the changing mobility landscape will affect transportation energy consumption and identifies opportunities to create more efficient, affordable, reliable, accessible, equitable, and secure transportation options that enhance mobility for individuals and businesses. Within EERE, the EEMS Program is responsible for this research portfolio. This APR describes work that the EEMS Program conducted during FY 2022 in support of the EEMS Program goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy Efficient Mobility Systems (2023 Annual Progress Report)

This document summarizes the progress of VTO Energy Efficient Mobility Systems projects supported during the fiscal year 2023. DOE conducts research to understand how the changing mobility landscape will affect transportation energy consumption and identifies opportunities to create more efficient, affordable, reliable, accessible, equitable, and secure transportation options that enhance mobility for individuals and businesses. Within EERE, the EEMS Program is responsible for this research portfolio. This APR describes work that the EEMS Program conducted during FY 2023 in support of the EEMS Program goals.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Energy Savings Results from Small Commercial Building Retrofits in the US

Small commercial buildings, or those comprising less than 50,000 square feet of floor area, represent 94% of U.S commercial buildings by count and consume approximately 8% of the nation’s primary energy; as such, they represent a largely unexploited opportunity for energy savings. Small commercial buildings also represent a large economic market—the National Institute of Building Sciences (NIBS) estimated the small commercial retrofit market at USD 35.6 billion. Despite the prominence of small commercial buildings and the economic opportunity for energy retrofits, many energy efficiency programs focus on large commercial buildings, and create efficiency solutions that do not meet the needs of the small commercial market. This paper presents an analysis of 34 small commercial case study projects that implemented energy efficiency retrofits. This paper contributes to the existing building retrofit body of knowledge in the following ways: (1) it identifies the decision criteria used by small commercial building stakeholders that decided to complete an energy retrofit; (2) it identifies the most commonly implemented efficiency measures in small commercial buildings, and discusses why this is the case; and (3) it provides empirical evidence about the efficacy of installing single energy efficiency measures (EEMs) compared to packages of EEMs in small commercial buildings by reporting verified energy savings. To the authors’ knowledge, this paper is the first to catalog decision criteria and energy savings for the existing small commercial buildings market, and this research illustrates that small commercial building decision-makers seem most motivated to retrofit their spaces by energy cost savings and operational concerns. Furthermore, small commercial building decision-makers opted to implement single-system retrofits in fifteen (15) of the thirty-four cases studied. Finally, this research documents the improved savings, in the small commercial buildings market, associated with a more integrated package of EEMs compared to a single-system approach, achieving approximately 10% energy savings for a single-system approach and more than 20% energy savings for integrated approaches. These savings translate to CO2 savings of 1,324,000 kgCO2/year to 2,647,000 kgCO2/year, respectively, assuming small commercial buildings are retrofit at a rate of 0.95% of the stock annually.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Measuring Impact: Evaluating Thermal Zoning Simplification on Energy Efficiency Measures Analysis

Building Energy Modeling (BEM) is a versatile tool for designing, retrofitting, ensuring code compliance, obtaining certifications, qualifying for incentives, and enabling real-time building control. However, capturing all the details of building geometry for thermal zoning can be time-consuming, costly, and sometimes computationally challenging. As a result, modelers have been applying zoning simplification based on factors such as space functions and internal loads, as well as relying on their experience and judgment while adhering to zoning rules outlined in industry standards. Despite the prevalence of this common practice, a notable gap exists in the literature regarding studies quantifying the influence of simplified thermal zoning on the evaluation of Energy Efficiency Measures (EEMs). Recognizing this gap, this paper seeks to contribute to the field by enhancing the understanding of how the simplification of thermal zoning influences the evaluation of EEMs against a baseline design. The study utilized a medium office prototype model with a detailed floor plan featuring over 20 zones per floor covering diverse functional spaces with varying internal loads and occupancy schedules. A standard thermal zoning strategy outlined in ASHRAE Standard 90.1 Appendix G was employed as the simplified zoning method. This strategy condenses the zoning into a core zone and four perimeter zones per floor. It was compared with the detailed zoning approach, which involves one zone per space. Common Energy EEMs, such as enhanced envelope, high-efficiency appliances and equipment, and HVAC controls, were individually implemented and evaluated. The results indicate that the performance comparison between the two zoning methods varies depending on the type of measures considered. Basic measures, such as adding wall insulation, demonstrate similar energy impacts, while advanced HVAC control measures, such as static pressure reset, exhibit a more substantial difference that cannot be overlooked.

Xie, Jiarong↗

NLR Core Modeling & Decision Support Capabilities: FASTSim, RouteE, T3CO & OpenPATH

This project is part of the program area to develop and improve core capabilities for the Energy-Efficient Mobility Systems (EEMS) program that enable research, development and deployment of advanced mobility solutions and enhance the EEMS Program's ability to address system-level transportation challenges. Advancements to the Future Automotive Systems Technology Simulator (FASTSim), Route Energy Prediction Model (RouteE), Transportation Technology Total Cost of Ownership (T3CO) and Open Platform for Agile Trip Heuristics (OpenPATH) core capabilities under this project supports the overall EEMS Program goals to effectively evaluate energy and mobility impacts of future transportation technologies and services, and to identify the most promising pathways to reduce transportation costs and environmental harms, and to improve mobility access. This presentation was prepared for the 2026 Annual Merit Review of this project.

33 ADVANCED PROPULSION SYSTEMS↗

Advance Local Mobility Through Energy Efficient Mobility Systems Technologies

Everyone deserves reliable, affordable, and safe transportation to connect people to jobs, healthcare, education, and recreation. Our transportation systems are interconnected, multimodal networks working together to move people and goods. These systems are dynamic and are being reshaped by factors such as population trends, new technologies, shifting labor models, economic forces, and changing climate. Energy efficient mobility systems (EEMS) technologies can help transportation planners ensure changes in our transportation systems are equitable and sustainable by improving energy efficiency, travel time, and affordability, as well as overall access to mobility. Transportation planners and decision makers can use the following EEMS tools and strategies to advance local mobility.

ADVANCED PROPULSION SYSTEMS↗

Development of an ultraprecise glue-free bimorph deformable mirror with a length of 460 mm

Lead zirconate titanate (PZT) bimorph mirrors are essential for performing multiple functions, such as beam shaping, wavefront correction, and dynamic focusing with adjustable beam sizes. They typically consist of a mirror substrate with PZT electrodes bonded to the substrate using a thin epoxy film. However, glue-bonded PZT mirrors exhibit low reproducibility in measurement results. One source of this variability is water absorption by the substrate’s epoxy adhesive during wet fabrication processes, such as elastic emission machining (EEM), which leads to swelling and deformation. Additionally, longer deformable bimorph mirrors require larger PZT electrodes, further complicating their design and fabrication, particularly during bonding and ultraprecise metrology. To address these challenges, silver nanoparticles were employed to bond PZT elements to the silicon (Si) mirror, eliminating the need for epoxy glue. Here, in this study, we developed an inorganic-glue-free PZT bimorph mirror with a length of 460 mm and 28 channels. The glue-free bonding method successfully ensured the high reproducibility of measurements after water immersion. This approach resulted in a shape error of only 0.41 nm root mean square after the figure correction process using an ultraprecise EEM process. Scanning acoustic tomography and basic response function tests confirmed the success of the bonding process, showing no critical voids. Furthermore, the shape changes induced by applying voltages to the PZT electrodes closely matched predictions obtained from simulations. These results demonstrate the reliability and precision of the proposed glue-free bonding technique, paving the way for improved performance of new PZT bimorph mirrors.

Ichii, Yoshio [SLAC National Accelerator Laborator↗

Advanced Computing, Data Science, and Artificial Intelligence Research Opportunities for Energy-Focused Transportation Science

The Energy Efficient Mobility Systems (EEMS) technology landscape is complex and rapidly evolving, which provides both tremendous opportunities and formidable challenges. Significant alterations to the mobility landscape are underway due to the advent of vehicle and infrastructure connectivity, autonomous driving, and rapid passenger- and freight-vehicle electrification. Advanced computing will play an increasingly important role in enabling the EEMS program to understand and identify the most important levers to improve the energy productivity of future integrated mobility systems. It is also driving new approaches to mobility and the research to unlock an affordable, efficient, safe, and accessible transportation future. Driving much of this change is the collection, analysis, and strategic use of massive amounts of diverse, complex data from infrastructure and vehicles with on-board sensors and data storage and transmission capabilities. Diverse and representative data are key to implementing approaches to maximize mobility energy productivity. While high-fidelity modeling of integrated transportation networks has strengthened our understanding of dynamic movement and behavior patterns, existing tools must be expanded beyond their current focus. This work necessitates data infrastructure investments (e.g., secure-streaming data platforms driven by ubiquitous sensors and video analytics) as well as investments in critical capabilities for large-scale automated analysis and organization using modern machine learning, statistics, and artificial intelligence. Other chief needs include agile, large-scale storage that can be quickly searched and queried for relevant data to support validation and model development, data-sharing agreements, and formatting standards for key data types. The future of public transit must be explored in greater detail, research must inform design, and opportunities must be identified for improving the mobility productivity of public transit in both urban and rural America.

33 ADVANCED PROPULSION SYSTEMS↗

Characterization of Long-Term Service Coal Combustion Power Plant Extreme Environment Materials

The objective of this DOE-sponsored project was to develop a comprehensive database of mechanical properties, alloy microstructures, and to a lesser extent, the oxidation/corrosion behaviors of coal-fired power plant components, such as boiler tubing, steam headers, and steam piping, which had been in service for at least 100,000 operating hours (preferably more than 200,000 operating hours) under the operating conditions of high temperatures and high mechanical stresses where creep, fatigue, steam-side oxidation, and fireside corrosion were life-limiting factors. The components included in this database consisted of ferritic steels, creep strength enhanced ferritic (CSEF) steels, and 300-series H-grade stainless steels, as well as dissimilar metal welds (DMWs) among these types of materials. As a result of extensive metallurgical characterization and mechanical testing performed in this project, a comprehensive database on mechanical properties and detailed quantitative microstructural information was successfully developed for several long-term serviced EEM components. Such a database can be used by material research communities to develop, calibrate, refine, and validate mechanical behaviors, models, and other assessment tools for accurate prediction of remaining life of major components under similar EEM operating conditions.

20 FOSSIL-FUELED POWER PLANTS↗

Surface Water Disinfection Byproducts and Organic Matter Characterization Data Associated with: “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream”

This dataset is associated with the publication “Disinfection byproducts formed during drinking water treatment reveal an export control point for dissolved organic matter in a subalpine headwater stream” published in Water Research X (Leonard et al. 2022; https://doi.org/10.1016/j.wroa.2022.100144). The associated study analyzed temporal trends from the Town of Crested Butte water treatment facility and synoptic sampling at Coal Creek in Crested Butte, Colorado, US. This work demonstrates how drinking water quality archives combined with synoptic sampling and targeted analyses can be used to identify and understand export control points for dissolved organic matter. This dataset is comprised of one main data folder containing (1) file-level metadata; (2) data dictionary; (3) metadata and international geo-sample number (IGSN) mapping file; (4) dissolved organic carbon (DOC), ultraviolet absorbance at 254 nanometers (UV254), total nitrogen (TN), and specific ultraviolet absorbance (SUVA) data; (5) disinfection bioproduct formation potential (DBP-FP) data; (6) readme; (7) methods codes; (8) water collection protocol; (9) folder of high resolution characterization of organic matter via 12 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory); and (10) folder of excitation emissions matrix (EEM) spectra. The FTICR folder contains a file of DOC (measured as non-purgeable organic carbon; NPOC) used for FTICR sample preparation. The FTICR folder also contains three subfolders: one subfolder containing the raw .xml data files, one containing the processed data, and the other containing instructions for using Formularity (https://omics.pnl.gov/software/formularity) and an R script to process the data based on the user's specific needs. All files are .csv, .pdf, .dat, .R, .ref, or .xml

54 ENVIRONMENTAL SCIENCES↗

Manuscript Workflows from and Processed Organic Matter Composition of Experimentally Burned Open Air and Muffle Furnace Vegetation Chars across Differing Burn Severity and Feedstock Types from Pacific Northwest, USA (v3)

This dataset includes processed organic matter chemistry data from an experimental study designed to compare how the chemical composition of organic matter changes across different burn conditions and vegetation materials representative of major land cover types of the Pacific Northwest, USA. Chars were created in a closed muffle furnace or on an open burn table from four different feedstock species representing vegetation commonly impacted by fire regimes across the Pacific Northwest, USA. Source data and associated metadata (including methods and geospatial information) can be found at https://data.ess-dive.lbl.gov/datasets/doi:10.15485/1894135 (Grieger et al. 2022). This dataset provides processing scripts and processed data for both solid and dissolved phase organic matter characterization data from experimentally generated chars. These processed data can be used to compare how different burn conditions may influence resultant organic matter chemistry and help further our understanding of potential biogeochemical impacts on river corridors post-fire. The processed data were subsequently analyzed; and the results and ecological implications of the findings were published in peer-reviewed manuscripts. The scripts and workflows used to develop the manuscripts are also included in this data package.This data package was originally published June 2024. It was updated September 2024 (new and modified files) and in January 2025 (modified files). See the change history section in the readme for more details.This dataset is comprised of one data package readme, one data dictionary (dd), one file level metadata (flmd), and folders containing (A) processed data; (B) general processing scripts; and (C) additional folders with specific manuscript analysis scripts and processed data. Step-by-step instructions to assist the user in recreating the workflow used to generate the results in the manuscripts is also provided. The processed data folder includes (1) a folder of processed Parallel Factor Analysis (PARAFAC) and spectra indices outputs from excitation emissions matrix (EEM) fluorescence and absorbance data; (2) a folder of processed solid state carbon-13 (13-C NMR) integrals; (3) folder of high resolution characterization of organic matter via 21 Tesla Fourier transform ion cyclotron resonance mass spectrometry (FTICR-MS) generated through the Environmental Molecular Sciences Laboratory (EMSL; https://www.pnnl.gov/environmental-molecular-sciences-laboratory) processed data outputs from Formultitude (https://github.com/PNNL-Comp-Mass-Spec/Formultitude), blank corrections and data aggregation, and calculated molecular indices. All files are .pdf, .csv, .html, .Rmd, .R, or .RData.

54 ENVIRONMENTAL SCIENCES↗

Organic matter distribution in the icy environments of Taylor Valley, Antarctica

Glaciers can accumulate and release organic matter affecting the structure and function of associated terrestrial and aquatic ecosystems. Here we analyzed 18 ice cores collected from six locations in Taylor Valley (McMurdo Dry Valleys), Antarctica to determine the spatial abundance and quality of organic matter, and the spatial distribution of bacterial density and community structure from the terminus of the Taylor Glacier to the coast (McMurdo Sound). Our results showed that dissolved and particulate organic carbon (DOC and POC) concentrations in the ice core samples increased from the Taylor Glacier to McMurdo Sound, a pattern also shown by bacterial cell density. Fluorescence Excitation Emission Matrices Spectroscopy (EEMs) and multivariate parallel factor (PARAFAC) modeling identified one humic-like (C1) and one protein-like (C2) component in ice cores whose fluorescent intensities all increased from the Polar Plateau to the coast. The fluorescence index showed that the bioavailability of dissolved organic matter (DOM) also decreased from the Polar Plateau to the coast. Partial least squares path modeling analysis revealed that bacterial abundance was the main positive biotic factor influencing both the quantity and quality of organic matter. Marine aerosol influenced the spatial distribution of DOC more than katabatic winds in the ice cores. Certain bacterial taxa showed significant correlations with DOC and POC concentrations. Collectively, our results show the tight connectivity among organic matter spatial distribution, bacterial abundance and meteorology in the McMurdo Dry Valley ecosystem.

54 ENVIRONMENTAL SCIENCES↗

Radiolytically reworked Archean organic matter in a habitable deep ancient high-temperature brine

Abstract Investigations of abiotic and biotic contributions to dissolved organic carbon (DOC) are required to constrain microbial habitability in continental subsurface fluids. Here we investigate a large (101–283 mg C/L) DOC pool in an ancient (>1Ga), high temperature (45–55 °C), low biomass (10 2 −10 4 cells/mL), and deep (3.2 km) brine from an uranium-enriched South African gold mine. Excitation-emission matrices (EEMs), negative electrospray ionization (–ESI) 21 tesla Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS), and amino acid analyses suggest the brine DOC is primarily radiolytically oxidized kerogen-rich shales or reefs, methane and ethane, with trace amounts of C 3 –C 6 hydrocarbons and organic sulfides. δ 2 H and δ 13 C of C 1 –C 3 hydrocarbons are consistent with abiotic origins. These findings suggest water-rock processes control redox and C cycling, helping support a meagre, slow biosphere over geologic time. A radiolytic-driven, habitable brine may signal similar settings are good targets in the search for life beyond Earth.

Science & Technology - Other Topics↗

SMART Mobility. Urban Science Capstone Report

The U.S. Department of Energy’s Systems and Modeling for Accelerated Research in Transportation (SMART) Mobility Consortium is a multiyear, multi-laboratory collaborative, managed by the Energy Efficient Mobility Systems Program of the Office of Energy Efficiency and Renewable Energy, Vehicle Technologies Office, dedicated to further understanding the energy implications and opportunities of advanced mobility technologies and services. The Urban Science (US) Pillar focuses on maximum-mobility and minimum-energy opportunities associated with emerging transportation and transportation-related technologies specifically within the urban context. Such technologies, often referred to as automated, connected, efficient (or electrified), and shared (ACES), have the potential to greatly improve mobility and related quality of life in urban areas. Although all the SMART Mobility research pillars share some commonalities, Urban Science strives to model, analyze, and gain insights from the perspective of human settlements (the “city”) as a living organism. This is especially critical as the United States is one of the most urbanized countries, and as more and more of the global population migrates to urban areas.1 The urban mobility system consists of a complex network that reaches well beyond roads and vehicles and includes significant investments in public transit, private mobility services (such as taxis and transportation network companies, or TNCs), significant parking reserves, and curb management practices, not to mention the abundance of emerging on-demand micromobility services for the movement of people and goods such as e-bikes and scooters, which make the urban space a dynamic laboratory for mobility. Urban spaces also concentrate employment, markets, services, and attractions, which are the destinations for most trips. The concentration of human activities and ensuing density also creates the need and emphasis for space efficiency in urban environments, which is often less of a constraint in suburban or rural contexts. This mixture of transportation and mobility infrastructure and practice, combined with global urbanization trends, make urban spaces a critical focus of research for developing energy-efficient mobility systems (EEMS).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Getting Beyond Widgets: Performance of Efficient Indoor Air Quality System Retrofit Packages for Schools A report on the modeled energy, greenhouse gas, and cost savings of several multi-measure retrofit packages for energy efficiency and indoor air quality in primary schools

School facilities are often underfunded with aging and poorly maintained HVAC and lighting systems. Most existing school buildings stand to benefit significantly from retrofits in terms of energy, cost, and emissions savings. Ventilation and indoor air quality (IAQ), which are important aspects of a healthy and productive learning environment, can also be enhanced by some energy efficiency measures (EEMs). Packaging energy efficiency and IAQ systems retrofits may represent a golden opportunity to improve performance in this critical building sector.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗