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1,176 records · Page 44

U.S. ESCO Industry Report: Industry Size and Recent Market Trends, 2022- 2024

The latest edition of the U.S. Energy Service Company (ESCO) Industry Report by Lawrence Berkeley National Laboratory (LBNL) finds that the U.S. ESCO industry continues to show strong growth. The report draws from ESCO industry reported revenue data for the 2022-2024 period, detailing the current size and characteristics of the U.S. ESCO industry. Following 20 years of ESCO industry reports, the 2024 report explores significant revenue trends across market segments, geographic regions, ESCO size, financing structures, and business activities. New analysis in this report outlines customer priorities and non-energy benefit drivers of Energy Savings Performance Contract projects, adjusted revenue analysis detailing the impacts of inflation on industry growth, and project challenges by market segment.

Chelminski, Kathryn

Effects of Composition and Oxidation States on the Structures of Chromium-Containing Sodium Silicate Glasses: Molecular Dynamics Simulations using Machine Learning Interatomic Potentials

Chromium represents a significant challenge for the vitrification of high-level nuclear waste into silicate and borosilicate glasses due to its low solubility and variable oxidation states, which can limit the waste loading due to promotion of crystallization or phase separation during processing. In this study, we modeled chromium containing silicate glasses using molecular dynamics simulations with three machine learning interatomic potentials (MLIPs), MACE, CHGNet, and PFP were employed, to gain insights on glass composition and oxidation states on the structures of these glasses. One of the goals is to evaluate their ability of these MLIPs to accurately represent the general structure of silicate glasses and chromium local environments as a function of chromium oxidation states. Density Functional Theory (DFT) based calculations and experimental data such as neutron structure factors were used to validate the structural models. It was found that the foundation models of all three MLIPs are able to reproduce general structural features of the sodium silicate glass structure consistent with experimental and DFT data, but only CHGNet and PFP can accurately capture the oxidation states and local environment of chromium: tetrahedral for Cr6+ and octahedral for Cr3+. Furthermore, we studied the effect of varying Cr3+/ Cr6+ (Cr3+/Crtotal) ratio and total chromium content using PFP. Our results show that Cr6+ enhances network polymerization by reducing non-bridging oxygens through Na? charge compensation required due to the formation of chromate (CrO42-) species, while Cr³? acts as a network modifier that disrupts connectivity. System size effects on the structural characteristics and chromium environments were also tested using the PFP potential. This work highlights the importance of careful validation on the precision, transferability, and potential of MLIPs for modeling glasses containing transition metal elements that can exist in multiple oxidation states. It is also encouraging to see the foundational models are all three MLFFs are able to reproduce the basic sodium silicate glass structures, while suggesting additional training or refining is needed to improve the description of more complex systems containing transition metals.

Puga, Christina L.

Advancing Wildfire Monitoring with TEMPO and ML tools: Hourly Smoke and Fire‑Front Mapping and Near‑Surface NO₂ Predictions

Wildfires impose substantial impacts on communities and regions downwind of wildfire smoke. We present a TEMPO‑enabled workflow that generates value‑added Level‑3 smoke‑plume masks and fire‑front maps for large wildfires, such as 2024 Park Fire, using the self‑supervised deep learning system SIT‑FUSE, along with near‑surface NO₂ predictions produced by a foundation model (Microsoft Aurora). We conclude by outlining a roadmap for expanding these capabilities to additional Western U.S. wildfire events and for delivering actionable tools to stakeholders. This open-source, reproducible workflow provides a scalable framework for cross-agency wildfire monitoring to overcome traditional limitations in smoke-cloud discrimination and air-quality forecasting by incorporating TEMPO data and beyond.

Xiaohua Pan

Technoeconomic Studies for the Rorex Creek Pumped Storage Hydro Project: An Evaluation of New Pumped Storage Hydro in the Tennessee Valley Authority System

This report evaluates the economic viability of the proposed 1,200 MW, 23,365 MWh Rorex Creek Pumped Storage Hydro (PSH) plant that would be located near Pisgah, Alabama. In addressing this question, this study has developed processes, models and data that better value PSH from a utility perspective, more specifically a vertically integrated utility, enabling optimal PSH design and deployment. This study is designed to enhance TVA’s toolset in making PSH investment decisions and contribute to the design of a more cost-effective, stable future grid. These techniques can then be applied to a broader range of assets and utilities.

Cohen, Stuart

RADAI: A Large-Scale Realistic Dataset for Radiation Detection Algorithm Development

Open, realistic datasets are essential for developing and benchmarking radiation detection algorithms, yet they remain scarce. The Radiological Anomaly Detection and Identification (RADAI) project was develop to create datasets that meet the training and testing needs for sophisticated radiation detection algorithms. The RADAI dataset is a large-scale synthetic resource that integrates high-fidelity Monte Carlo simulations with realistic urban scenarios to capture both background variability and source signatures. RADAI models construction-material NORM, people and vehicles, urban clutter, and dynamic environmental effects such as cosmic-ray and rain-induced transients, and they provide list-mode detector data with motion and response modeling suitable for algorithm training and evaluation. The RADAI project resulted in three publicly-released complementary datasets together with an online scoring portal for standardized performance assessment and an open software toolkit that supports data access, augmentation, model development, and evaluation. These resources enable reproducible comparisons across methods and promote rigorous studies at the scale required by contemporary machine learning. By grounding algorithm development in realistic, well-documented conditions, RADAI supports progress toward more robust detection, identification, and localization in complex urban environments.

Ghawaly, James M. [Division of Computer Science an

Enhanced Hydrogen Evolution Catalysis of Pentlandite due to the Increases in Coordination Number and Sulfur Vacancy during Cubic‐Hexagonal Phase Transition

Abstract The search for new phases is an important direction in materials science. The phase transition of sulfides results in significant changes in catalytic performance, such as MoS 2 and WS 2 . Cubic pentlandite [cPn, (Fe, Ni) 9 S 8 ] can be a functional material in batteries, solar cells, and catalytic fields. However, no report about the material properties of other phases of pentlandite exists. In this study, the unit‐cell parameters of a new phase of pentlandite, sulfur‐vacancy enriched hexagonal pentlandite (hPn), and the phase boundary between cPn and hPn are determined for the first time. Compared to cPn, the hPn shows a high coordination number, more sulfur vacancies, and high conductivity, which result in significantly higher hydrogen evolution performance of hPn than that of cPn and make the non‐nano rock catalyst hPn superior to other most known nanosulfide catalysts. The increase of sulfur vacancies during phase transition provides a new approach to designing functional materials.

Chemistry

A Reflection on the Evolution of Sodium/Metal Chloride (ZEBRA) Batteries and Lithium-Ion Cathode Materials (1975–2025): A Tribute to Johan Coetzer

This narrative summarizes, in retrospect, the enormous and quietly-conducted contribution of Dr Johan Coetzer, a South African scientist and entrepreneur, to the discovery, development and implementation of the high temperature sodium—metal chloride “ZEBRA” battery (Na/β-Al 2 O 3 , NaAlCl 4 /MCl 2 (M = Ni, Fe)). Here, this research activity was initiated in the mid 1970’s at the Council for Scientific and Industrial Research (CSIR) in South Africa and subsequently developed primarily in partnership with the Atomic Energy Research Establishment (AERE, Harwell, UK), Beta R&D (Derby, UK) and Daimler Benz (Germany), before being transferred to industry worldwide for electric vehicle and energy storage applications, albeit at a relatively low production rate. Coetzer’s wide-ranging, innovative and, at times, unconventional scientific approach also laid the foundation for the discovery and implementation of manganese-based spinel and layered metal oxide cathode materials for the Li-ion battery industry.

ZEBRA Battery

Revealing the evolution of order in materials microstructures using multi-modal computer vision

The development of high-performance materials for microelectronics, energy storage, and extreme environments depends on our ability to describe and direct property-defining microstructural order. Our present understanding is typically derived from laborious manual analysis of imaging and spectroscopy data, which is difficult to scale, challenging to reproduce, and lacks the ability to reveal latent associations needed for mechanistic models. Here, we demonstrate a multi-modal machine learning (ML) approach to describe order from electron microscopy analysis of the complex oxide La 1−x Sr x FeO 3 . We construct a hybrid pipeline based on fully and semi-supervised classification, allowing us to evaluate both the characteristics of each data modality and the value each modality adds to the ensemble. We observe distinct differences in the performance of uni- and multi-modal models, from which we draw general lessons in describing crystal order using computer vision.

36 MATERIALS SCIENCE

Distributed Mafic Rock Resources for Carbon Mineralization in Arizona

Ex-situ carbon mineralization is a process by which CO2 is reacted with alkaline silicate minerals and rocks to produce stable carbonate materials, which can be used for other industrial processes. Arizona, U.S.A., hosts abundant surficial mafic rocks in three young volcanic fields, Geronimo-San Bernardino, San Francisco, and Springerville, and other distributed locations throughout the state. We created a Mafic Rock Resource Inventory (MRRI) that categorizes geochemical, physical, and textural characteristics of a diverse suite of surficial mafic rock samples and provide a benchmark reaction dataset parameterizing the temperature, pressure, and pH conditions best suited ex-situ mineralization in different rock types. MRRI data is publicly available online via a map-viewer. We establish two reaction condition sets, varied in temperature, pressure, and pH, where crystal-rich and glassy rocks reach maximum reaction extent and different carbonate phases are formed. Systematic ex-situ mineralization experiments on 21 diverse rock types show trends in geochemical, mineralogical, and reactivity behavior and establish maximum effective capture capacity. From this, scoria cones in three Arizona volcanic fields have a ~62 Gt effective CO₂ storage capacity with one of the fields having a ~42 Gt storage capacity in lava flows. Reactivity results have applications to alkaline mafic rock resources exposed globally, including producing additional effective storage capacity estimates and scaled commercialization of mafic rock ex-situ mineralization, should reaction extents be improved through advances in mineralization techniques. MRRI data were used to create a Direct Air Capture to Mineralization (DACM) systems model, technoeconomic analysis, and life-cycle assessment. These documents are presented as three appendices.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI

Entanglement Structure of Non-Gaussian States and How to Measure It

Rapidly growing capabilities of quantum simulators to probe quantum many-body phenomena require new methods to characterize increasingly complex states. Here, we present a protocol that constrains quantum states using experimentally measured correlation functions. This method enables measurement of a quantum state’s entanglement structure, opening a new route to study entanglement-related phenomena. Our approach extends Gaussian state parameterizations by systematically incorporating higher-order correlations. We show the protocol’s usefulness in conjunction with current and forthcoming experimental capabilities, focusing on weakly interacting fermions as a proof of concept. Here, the lowest nontrivial expansion quantitatively predicts early time thermalization dynamics, including signaling the onset of quantum chaos indicated by the entanglement Hamiltonian.

Fermi gases

Structure–Property Linkage in Alloys Using Graph Neural Network and Explainable Artificial Intelligence

Deep learning tools have recently shown significant potential for accelerating the prediction of microstructure–property linkage in materials. While deep neural networks like convolution neural networks (CNNs) can extract physics information from 3D microstructure images, they often require a large network architecture and substantial training time. In this research, we trained a graph neural network (GNN) using phase field generated microstructures of Ni-Al alloys to predict the evolution of mechanical properties. We found that a single GNN is capable of accurately predicting the strengthening of Ni-Al alloys with microstructures of varying sizes and dimensions, which cannot otherwise be done with a CNN. Additionally, GNN requires significantly less GPU utilization than CNN and offers more interpretable explanation of predictions using saliency analysis as features are manually defined in the graph. We also utilize explainable artificial intelligence tool Bayesian Inference to determine the coefficients in the power law equation that governs coarsening of precipitates. Overall, our work demonstrates the ability of the GNN to accurately and efficiently extract relevant information from material microstructures without having restrictions on microstructure size or dimension and offers an interpretable explanation.

Chemistry

Impact of Limited Degree of Freedom Drag Coefficients on a Floating Offshore Wind Turbine Simulation

The worldwide effort to design and commission floating offshore wind turbines (FOWT) is motivating the need for reliable numerical models that adequately represent their physical behavior under realistic sea states. However, properly representing the hydrodynamic quadratic damping for FOWT remains uncertain, because of its dependency on the choice of drag coefficients (dimensionless or not). It is hypothesized that the limited degree of freedom (DoF) drag coefficient formulation that uses only translational drag coefficients causes mischaracterization of the rotational DoF drag, leading to underestimation of FOWT global loads, such as tower base fore-aft shear. To address these hydrodynamic modeling uncertainties, different quadratic drag models implemented in the open-source mid-fidelity simulation tool, OpenFAST, were investigated and compared with the experimental data from the Offshore Code Comparison Collaboration, Continued, with Correlation (OC5) project. The tower base fore-aft shear and up-wave mooring line tension were compared under an irregular wave loading condition to demonstrate the effects of the different damping models. Two types of hydrodynamic quadratic drag formulations were considered: (1) member-based dimensionless drag coefficients applied only at the translational DoF (namely limited-DoF drag model) and (2) quadratic drag matrix model (in dimensional form). Based on the results, the former consistently underestimated the 95th percentile peak loads and spectral responses when compared to the OC5 experimental data. In contrast, the drag matrix models reduced errors in estimates of the tower base shear peak load by 7–10% compared to the limited-DoF drag model. The underestimation in the tower base fore-aft shear was thus inferred be related to mischaracterization of the rotational pitch drag and the heave motion/drag by the limited-DoF model.

17 WIND ENERGY

Subscale Hardware-In-The-Loop Results for Hybrid Electric Turbofan Controls Use Cases

NASA is investigating hybrid electric turbine engine systems for commercial transport aircraft due to the potentially significant improvements hybrid electric technology offers in performance, fuel consumption, and operational and design flexibility. Recently, the technology has been tested at full scale in partnership with industry and advanced to Technology Readiness Level 4. This presentation will focus on a recent subscale hardware-in-the-loop test of an open source turbofan engine model developed by NASA. The Advanced Geared Turbofan 30,000 lbf – electrified (AGTF30-e) engine is used as a reference model to demonstrate control system design and use cases for an example mild hybrid electric system with no large-scale energy storage. This model is run in real-time in NASA’s Hybrid Propulsion Emulation Rig (HyPER) and is used to drive an emulation of the turbomachinery system using subscale electric machines. This dynamic scaled shaft emulation interacts with a subscale (<100 kW) hybrid system consisting of electric machines, motor controllers, and a programmable electronic load. Specific use cases demonstrated include the use of Turbine Electrified Energy Management to improve operation during transients, megawatt-scale power extraction from the AGTF30-e, and power transfer between engine spools. Results related to the effectiveness of hybrid systems are qualitatively compared to results from industry testing.

Hybrid

Material Properties and Modeling of Room Temperature Vulcanizing Silicone

Room Temperature Vulcanizing silicone (RTV) is a high-temperature adhesive that has successfully been used as a gap-filler between Thermal Protection System (TPS) tiles for heatshields on numerous missions. It is also used to bond instrumentation plugs such as temperature and pressure sensors into the heatshields. While RTV has been traditionally assumed to be a non-porous and non-ablating material, numerous experiments have shown that RTV pyrolyzes and becomes highly porous as it is heated. Heating RTV has also shown swelling, or intumescence, which can pose unique problems that lead to roughness induced boundary-layer transition, surface oxide formation and contamination of heat shield sensors. Therefore, it is crucial to understand and model the intumescence phenomenon of RTV. As data for RTV material properties is limited, the first step in modeling RTV is to collect material properties such as pyrolysis mass-loss, microstructure change, virgin and char porosity, etc. which was performed in our initial study. Additionally, thermomechanical properties such as Young’s modulus and Poisson ratio are required for modeling the intumescence of RTV, which were taken from literature and the coefficient of thermal expansion was collected using in-situ heating and Micro Computed Tomography (µ-CT) in previous studies. Finally, numerous other properties such as pyrolysis gas properties, virgin and char thermal conductivity and specific heat were compiled from previous experiments and literature into a material database that can be used for simulations. In Porous Material Analysis Toolbox based on OpenFOAM (PATO) [4], structural mechanics coupled with material response was used for simulating the intumescence of RTV as it is heated. However, since the permeability of the material is very low, the pyrolysis gas creates an internal pressure build-up as the material is being heated, significantly contributing to the deformation of the material. To correctly characterize this phenomenon, additional physics models were implemented into PATO's stress analysis solver, and results were compared with RTV dilatometry test data as a preliminary verification case. Future work will include experiments of RTV at the Plasmatron X facility and the in-situ heating cell with µ-CT, and improvement of simulation tools to more accurately model RTV intumescence.

PATO

The Study of Dopant Segregation Behavior During the Growth of GaAs in Microgravity

An investigation into the segregation behavior of selenium doped gallium arsenide during directional solidification in the microgravity environment was conducted using the Crystal Growth Furnace (CGF) aboard the first United States Microgravity Laboratory (USML-1). The two crystals grown were 1.5 cm in diameter and 16.5 cm in length with an initial melt length of 14 cm. Two translation periods were executed, the first at 2.5 microns/s and after a specified time, which was different between the two experiments, the translation rate was doubled to 5.0 microns/s. The translation was then stopped and the remaining sample melt was solidified using a gradient freeze technique in the first sample and a rapid solidification in the second experiment. Measurement of the selenium dopant distribution, using quantitative infrared transmission imaging, indicates that the first sample initially achieved diffusion controlled growth as desired. However, after about 1 cm of growth, the segregation behavior was driven from a diffusion controlled growth regime to a complete mixing regime. Measurements in the second flight sample indicated that the growth was always in a complete mixing regime. In both experiments, voids in the center line of the crystal, indicative of bubble entrapment, were found to correlate with the position in the crystal when the translation rates were doubled.

D H Matthiesen

Fast and Non‐equilibrium Uptake of Hydrogen by Pd Icosahedral Nanocrystals

Abstract We report for the first time that Pd nanocrystals can absorb H via a “single‐phase pathway” when particles with a proper combination of shape and size are used. Specifically, when Pd icosahedral nanocrystals of 7‐ and 12‐nm in size are exposed to H atoms, the H‐saturated twin boundaries can divide each particle into 20 smaller single‐crystal units in which the formation of phase boundaries is no longer favored. As such, absorption of H atoms is dominated by the single‐phase pathway and one can readily obtain PdH x with anyx in the range of 0–0.7. When switched to Pd octahedral nanocrystals, the single‐phase pathway is only observed for particles of 7 nm in size. We also establish that the H‐absorption kinetics will be accelerated if there is a tensile strain in the nanocrystals due to the increase in lattice spacing. Besides the unique H‐absorption behaviors, the PdH x (x=0–0.7) icosahedral nanocrystals show remarkable thermal and catalytic stability toward the formic acid oxidation due tothe decrease in chemical potential for H atoms in a Pd lattice under tensile strain.

Chemistry

Effect of directed energy deposition process parameter on build quality of tantalum

Tantalum is a refractory metal used in a variety of harsh environment applications. Additive manufacturing of tantalum is limited based on its high melting point and affinity for oxygen. Directed Energy Deposition is an additive manufacturing technique with rapid deposition time and compositional flexibility within builds. Additively manufactured tantalum is susceptible to a variety of material and process-based defects. Various lack-of-fusion defects were identified resulting from excessive powder feed rates or insufficient laser power. Oxygen impurities in some samples caused cracking and increased material hardness. Precipitates were identified in the highly oxidized samples which were printed immediately after the build chamber was opened. High-density, low-defect parts were successfully produced. The effects of scan speed, laser power, and powder feed rate on density and defects were analyzed. A processing window was identified for producing high-quality parts which requires adequately high laser power and lower powder feed rate.

DED

First N 2 Profile for Venus’ Deep Lower Atmosphere

We present the first N 2 profile for Venus’ deep lower atmosphere (<15 km) and a constrained isotopic composition for cloud N 2 [1]. This work directly addresses unresolved questions for Venus using legacy observations. Prior to this work, there were no reported measurements for N 2 abundances at <15 km and the isotopic composition remained unconstrained [2]. The N 2 parameters are critical to understanding the evolution and thermal properties of the atmosphere [3-7]. Our N 2 results were obtained by re-analysis of data acquired in 1978 by the Pioneer Venus Large Probe Neutral Mass Spectrometer (LNMS) [8]. The archived mass spectra from 64.2 to 0.2 km were treated using the analytical procedures specifically developed for the LNMS [9-11]. Judicious peak fitting permitted disambiguation of (A) N 2 + and CO + at 28 u and (B) 14 N 15 N+, 13 CO + , and C 2 H 5 + at 29 u. Quality controls included comparing the (A) LNMS CO + /CO 2 + ratios to the NIST database and literature and (B) fitted counts for CO + to the expected counts of CO + calculated from C 18 O + and 13 CO + using the LNMS 16 O/ 18 O and 12 C/ 13 C ratios (obtained from CO 2 ). Our results show that N 2 is uniformly mixed across the deep lower atmosphere between ~0.2 and 15 km (2.49 ± 0.10 v%). In contrast, N 2 is non-uniformly mixed across the sub-cloud atmosphere and clouds (~15–59 km), where N 2 abundances increase by ~ 2-fold between ~15 km (2.45 ± 0.32 v%) and ~59-51 km (5.21 ± 0.18 v%). Using the cloud data, we also obtained a constrained 15 N/ 14 N ratio (2.93×10 -3 ± 0.13×10 -3 ) and δ 15 N value (-204 ± 35‰). Thus, the LNMS results [1] suggest that (A) the atmosphere is unstable at <15 km, (B) N 2 is not well-mixed >15 km, and (C) the cloud δ 15 N falls between Earth and the solar wind [12, 13]. Comparisons of the N 2 abundances and isotopic compositions for nitrogen, carbon, and oxygen to other Venus measurements will be discussed.

deep lower atmosphere