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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Visualizing How the Structure of Large-Radius Jets Shapes Their Wakes

The ATLAS collaboration has introduced and implemented a strategy for selecting and analyzing large-radius jets composed of skinny $R=0.2$ subjets in heavy ion collisions at the LHC. We show how measurements of these jets teach us about the resolution length $L_{\rm res}$ of quark-gluon plasma (QGP) and can teach us how jet substructure shapes the wakes that jets excite in the QGP droplets through which they pass. We use Hybrid Model calculations to reproduce measurements of $R_{AA}$ for large-radius jets in PbPb collisions, and study their dependence on the angle between the two skinny subjets involved in the final reclustering step of an $R=1$ jet. We show how these observables can constrain the value of $L_{\rm res}$ and demonstrate that the ATLAS data rule out any picture in which an entire parton shower loses energy coherently as if it were a single entity. Determining the degree to which the QGP can resolve partons within a jet is central to the broader program of using jet quenching measurements to probe QGP. We make further use of this setup by analyzing the response of the medium to the passage of large-radius $R=2$ jets containing two skinny subjets in gamma-jet events. We introduce novel jet-shape observables that allow us to visualize the angular shape of the soft hadrons originating from the wakes that wide jets with two skinny subjets excite in a droplet of QGP, as a function of the angular separation between the subjets. We find that even when they are $\sim 0.8- 1$ radian apart, a single broad wake is produced. Only when the two subjets are even farther apart is the presence of two sub-wakes revealed. We show that the way in which jet structure shapes jet wakes can be visualized with similar clarity in experiments by using only those hadrons with low $p_T$. These observables thus offer a new and distinctive way of seeing jet wakes in heavy ion collision data.

FOS: Physical sciences↗
DOE OSTI2021

Indoor Occupant Counting by RF Backscattering

Building HVAC (heating, ventilation and air conditioning) consumes approximately 13% of all energy consumption in USA. Motion detectors, cameras and user programmable thermostats have been shown to be ineffective for HVAC controls to save energy, mostly due to the user concerns of comfort, reliability and privacy. A new HVAC control system based on real-time occupant counting that is fully automated, highly accurate, economically sensible and preserving privacy and aesthetics can thus bring forth a disruptive impact to this large energy sector. Our indoor occupant monitoring technology is based on the radio-frequency identification system (RFID), deployed in the room, not on the occupants. One reader with four antennas can be deployed on the ceiling or behind the ceiling panels for every thousand square feet in home, office and assisted living, with or without room partitions. The sticker-like passive tag, 10 cents each and maintenance-free, are profusely hidden on the wall or inside the furniture at arbitrary position, preserving privacy and aesthetics. The large number of tags can realize diverse observation points to accommodate arbitrary room layouts, which is impractical by other active units of camera, infrared, radar or lidar. With 20 tags, the system can reliably detect the number of occupants. For 100 tags, occupant posture and location can be known. The technology has been verified in the research labs and test buildings with very high accuracy. When the real-time occupant number can be accurately known without assuming devices on occupants or occupant motion, the building HVAC system can be automated to achieve building energy saving without sacrificing occupant comfort. According to our limited testing in a few types of building models and the simplified cost calculation, the RFID system has low overall cost in production, deployment, operation and maintenance. The signal processing algorithm based on machine learning requires very small number of training cases as most learning is transferrable for various layouts, and very low computational needs during operation, according to our testing in four different room sizes and layouts. In our preliminary estimate from HVAC saving alone, the RFID system can potentially pay for itself within 1.5 years, in addition to the other enhancement in building automation systems (BAS). Our commercialization strategy and business pitch deck focus on venturing this Cornell occupant monitoring technology into BAS and energy management markets. We have identified three broad BAS market segments of senior living, residential buildings, and office buildings. We have put together the minimum viable product characteristics for these identified segments, including analyses on total cost and competing technologies, as well as the fit and technical gaps for these market segments. We intend to bring the technology to market by licensing or partnering with existing BAS vendors. A list of potential collaborators and licensing partner candidates was assembled for different aspects of integrating our technology into a potential product that can be used with BAS.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2022

Combining biomarker and virus phylogenetic models improves HIV-1 epidemiological source identification

To identify and stop active HIV transmission chains new epidemiological techniques are needed. Here, we describe the development of a multi-biomarker augmentation to phylogenetic inference of the underlying transmission history in a local population. HIV biomarkers are measurable biological quantities that have some relationship to the amount of time someone has been infected with HIV. To train our model, we used five biomarkers based on real data from serological assays, HIV sequence data, and target cell counts in longitudinally followed, untreated patients with known infection times. The biomarkers were modeled with a mixed effects framework to allow for patient specific variation and general trends, and fit to patient data using Markov Chain Monte Carlo (MCMC) methods. Subsequently, the density of the unobserved infection time conditional on observed biomarkers were obtained by integrating out the random effects from the model fit. This probabilistic information about infection times was incorporated into the likelihood function for the transmission history and phylogenetic tree reconstruction, informed by the HIV sequence data. To critically test our methodology, we developed a coalescent-based simulation framework that generates phylogenies and biomarkers given a specific or general transmission history. Testing on many epidemiological scenarios showed that biomarker augmented phylogenetics can reach 90% accuracy under idealized situations. Under realistic within-host HIV-1 evolution, involving substantial within-host diversification and frequent transmission of multiple lineages, the average accuracy was at about 50% in transmission clusters involving 5–50 hosts. Realistic biomarker data added on average 16 percentage points over using the phylogeny alone. Using more biomarkers improved the performance. Shorter temporal spacing between transmission events and increased transmission heterogeneity reduced reconstruction accuracy, but larger clusters were not harder to get right. More sequence data per infected host also improved accuracy. We show that the method is robust to incomplete sampling and that adding biomarkers improves reconstructions of real HIV-1 transmission histories. The technology presented here could allow for better prevention programs by providing data for locally informed and tailored strategies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

A Simulated Evaluation of Powder Flowability Through a Partially Obstructed Consumable in Blown Powder Directed Energy Deposition Systems

Abstract In the interest of continued industrialization of metal additive manufacturing in modern production environments, cost is often referenced as a primary deterrent to new adopters. Conventional economic models for additive systems, processes, and supply chains often focus on specific process applications with little generalizability, or they neglect significant costs associated with production such as machine maintenance and consumable part replacement. Compounding the latter issue are substantial knowledge gaps in consumable part wear characterization for additive and other convergent manufacturing systems. In coaxial blown powder directed energy deposition systems, gas atomized metal powder is wasted during material deposition at a rate that is partly dependent on present wear phenomena in a consumable nozzle housed in the cladding head assembly. The price and lead time required to replace the nozzle incentivizes its reuse even when visibly worn. Often this initiates a process quality decline in the form of underbuilt geometry and internal defects due to losses in powder catchment efficiency. While depositing H13 steel using a hybrid manufacturing machine tool equipped with such a deposition system, a unique partial clog with a bridge-like structure formed at the consumable nozzle exit when supporting argon gas flows failed mid-process. To further understand coaxial multi-phase powder flow in the event of support gas failure, a computational fluid dynamics simulation is tailored to relevant process parameters, H13 powder material profile, and machine operator observations collected after the incident. The resulting differences in powder flow compared to control gas flow parameters is presented and discussed. The powder flowability and performance of the clogged nozzle is then assessed by using an optical profilometer to extract the profile of the clog and recreate the clog geometry within the simulation environment. In past work this simulation has been experimentally validated for a 316L steel powder material profile and used specifically for analyzing powder stream geometry and catchment efficiency. After the initial powder flow characterization, the clog is removed, and the nozzle is reprofiled. After removing the obstructing clog, the newly unobstructed nozzle geometry, the original off the shelf nozzle geometry, and additional nozzle profiles exploring different consumable refurbishment strategies are reevaluated in the simulation. Powder catchment efficiency for all variant nozzle geometries and relevant flow variables are compared and discussed, along with potential mitigation strategies for optimizing powder flowability with worn consumables. This work expands on the known morphology of blown powder obstructions and wear defects present in consumable coaxial nozzles while discussing pragmatic simulation driven responses to unanticipated subsystem failure in hybrid manufacturing machining platforms.

DeWitte, Lisa↗
DOE OSTI2023

Modeling Assessment of Residential Air-to-Water Heat Pumps Coupled with Cooling Thermal Storage

This study explored the performance and operating cost viability of air-to-water heat pumps (AWHPs) coupled with thermal energy storage (TES) in efficient new residential construction. AWHPs are an emerging technology in this country, but offer promise in terms of high efficiency, fully contained and factory charged outdoor refrigeration system, and hydronic delivery capabilities, which facilitates zoning, ducts in conditioned space, and TES integration for summer load-shifting. Although this AWHP+TES strategy is not yet mainstream, the authors feel that in ten years as decarbonization efforts proceed and TOU rates become more common, strategies such as this will be more accessible. Validated EnergyPlus simulation models were developed based on detailed monitoring data collected over several years at Pacific Gas and Electric's CVRH laboratory test homes located in Stockton, California. One of the CVRH test homes (1,962 ft 2 two-story) had been testing various AWHP systems and configurations over the past six years. The validated model was then updated with high efficiency IECC ZERH envelope and component requirements for climate zones 1-5, including ducts in conditioned space thermal distribution. Simulations were completed for the 1,962 ft 2 home in each climate zone for a minimum efficiency ASHP, an AWHP coupled with a fan coil, and an AWHP coupled with TES sized to eliminate summer on-peak compressor operation. To maintain consistency in reporting energy use estimates, all cases were run with a similar indoor thermostat control strategy to pre-cool the house below the nominal 76 degrees Fahrenheit set point prior to the on-peak period and float slightly above the set point during the peak period. The AWHP+TES configuration was controlled to alternately condition the indoor space or to charge the TES tanks prior to the beginning of the on-peak. Three composite TOU rates were developed based on existing TOU rates across the U.S. to provide differing economic scenarios to evaluate customer bill impacts throughout the summer. Two of the TOU rates had short three-hour peak periods, while the third rate had a longer seven-hour duration peak period. AWHP modeling projections were based on the observed field performance of the Chiltrix CX34 variable speed unit. Other products on the market or entering the market in the near term would likely perform differently.

25 ENERGY STORAGE↗
DOE OSTI2025

Harvest legacies and climate change interact to shape forest structure and biomass through time

Forest structural change driven by climate trends has been observed worldwide and is expected to increase in the future. Management of forest structure has been an important tool for mitigating the impacts of climate change but forest structure may shift independently of management goals as it interacts with climate change. Here, we investigated the long-term impacts of harvest-based management strategies on structure and resistance to climate-induced biomass loss using a process-based ecosystem model for a midwestern USA hardwood forest. We identified aboveground biomass loss events and compared the cumulative number of these events following a five-year period of active management under four management strategies and two climate change scenarios. Management legacy had the clearest impact on climate-driven biomass loss over the mid-term (∼25 years) with the shelterwood scenario experiencing no loss events during this period. However, by the end of the century legacy effects faded and climate change severity became the driver of differences as greater warming scenarios experienced twice the loss events, and end-of-century loss events were 3–10 times more frequent than mid-century events. We found that while structure was distinct among harvest scenarios through the mid-century, differences were negligible by the end-of-century; identical to when management correlated with loss event frequency. Here, we found that loss events were preceded by a drop in precipitation two years prior, while no specific forest structure preceded a loss event. However, the structures preceding a biomass loss event were distinct across different legacies, implying additional influences of past management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Reactive transport modeling of the Aquifer Thermal Energy Storage (ATES) system at Stockton University, New Jersey during seasonal operations

Hydrogeochemical processes associated with Aquifer Thermal Energy Storage (ATES) operations can often impact the system performance owing to mineral precipitation either at the wellbore or in the aquifer owing to changes in temperature and fluid disequilibria. Although failure of ATES systems due to mineral precipitation ("fouling") is common, predictive reactive-transport models have rarely been applied to plan their design and operation. Here, the objective of this study is to develop a reactive-transport model by coupling thermal, hydrological, and chemical (THC) processes to evaluate effects of introduced atmospheric oxygen on water chemistry, mineral precipitation/dissolution, porosity, and permeability changes associated with an ATES system at Stockton University (New Jersey, USA). The THC model builds on a Thermal-Hydrological-Mechanical (THM) model of the site that evaluated system failure owing to possible fracturing in the caprock or around the wellbore. The causes of the system failure are not known – potential causes include hydraulic fracturing owing to elevated pump pressures that took place, a flow pathway created by one of the boreholes, or a pre-existing natural hydrologic connection between the upper unconfined aquifer and the ATES aquifer, any of which could have led to oxygenated water entering the reservoir and causing the observed Fe-oxide fouling on well screens. The THC model is used to evaluate some of the hypotheses and observations regarding system failure owing to geochemical processes. The reactive-transport code TOUGHREACT V4 was used to model the THC processes during seasonal heating and cooling operations at the Stockton ATES site over 6 years of operation. In the THC simulations, the primary effects on geochemistry were observed when the injection water is saturated with atmospheric oxygen. Simulations show greater precipitation of goethite near the cold wells as compared to the warm wells. Although volume fractions of Fe-hydroxides were relatively small, the model was aimed at processes in the aquifer at the scale of meters and larger rather than at the scale of mm or cm (i.e., a well screen). Kaolinite is the dominant precipitating phase, also around the cold wells. Illite dissolves near the cold wells and precipitates near the warm wells. There is a net decrease in the porosity near the cold wells and increase near the warm wells, although a slight amount of thermal contraction near the cold wells and expansion near the warm wells is responsible for a significant proportion of the porosity change. Owing to the coarse discretization of the numerical grid near the wells (compared to the screen thickness) the magnitude of permeability changes at the wellbore are likely underestimated. The reactive transport model in this study can be used for characterization of aquifers, optimizing the operational parameters (temperature, pressure, pH etc.), and planning of mitigation strategies for ATES systems.

15 GEOTHERMAL ENERGY↗
DOE OSTI2020

Evaluating the Effectiveness of an Ultrasonic Acoustic Deterrent in Reducing Bat Fatalities at Wind Energy Facilities

This project was designed to use thermal video cameras and fatality monitoring to evaluate the effectiveness of an ultrasonic acoustic deterrent (UAD) on bat activity and mortality, respectively. Our goals were to redesign the UAD device and installation infrastructure, determine the placement on wind turbines to optimize safety, compatibility and functionality, and to compare the mortality among the following conditions: Control (deterrents off and turbines feathered up to the manufacturer’s cut-in speed of 3.5 m/s), Deterrent (deterrents on and turbines feathered up to the manufacturer’s cut-in speed of 3.5 m/s), Curtailment (deterrents off and turbines feathered up to 5/ m/s), and combination (deterrents on and turbines feathered up to 5 m/s). The project was divided into a Feasibility Study and Comparative Study. The objectives for the Feasibility Study were to develop an installation strategy, redesign a previous iteration of a UAD to improve performance and weatherization, and test the effectiveness of the deterrents on bat activity. The Feasibility Study was intended to work out potential issues using a relatively small number of devices prior to manufacturing and installing numerous devices for a larger-scale comparative study. The division of the project into these separate studies was based on previous experience and the challenges of assessing the capabilities of an untested UAD. During the initial development and manufacturing of the UAD, NRG Systems decided to use a piezoelectric transducer rather than an electrostatic transducer, which was used by a previous device (i.e. Deaton UAD). NRG Systems conducted lab testing (i.e., IP67 or Ingress Protection) to ensure no water or dust ingress. In addition, shock/drop trials and variations in temperature exposure were conducted as part of the reliability testing. NRG Systems also developed a communications system to allow for continuous performance monitoring of the UADs. For the Feasibility Study, we installed 6 UADs on each of 2 Gamesa G90 2-MW wind turbines (Turbine 14 and 8) at the South Chestnut Wind Energy Facility, Pennsylvania and monitored activity under control and treatment (i.e. Deterrent) conditions using thermal video monitoring. There are two major sources of variation in bat activity (beyond the anticipated treatment effect): 1) environment around the turbines might inherently favor more activity at one than the other; 2) weather conditions on any given night or within season difference (e.g., migration later during the study period) might favor more activity on some nights than on other nights. Because we could only monitor two turbines on any night, we sought to control the potential influences of these two sources by alternating the turbine on which deterrents were activated each night. If there were no loss of data due to technical failures, this design would result in an equal number of deterrent and control nights at each turbine through the monitoring period, balancing the effects of both sources of variation. We compared the time bats spent and the number of events that occurred in overlapping cameras FOV as an indicator of risk, since 80% of the overlapping FOV of the cameras was in the RSA. Equipment failures, majority due to lightning, resulted in only 17 nights with useable data, with unbalanced treatment assignment within turbines and uneven distribution of treatment assignment throughout the observational period. This resulted in a confounding of treatment assignment and seasonal change. Deterrent treatment was measured at Turbine 14 on only 2 of the first 8 usable nights (spanning the period from 8/18-9/17), whereas 6 times on Turbine 8. From 9/18-927, deterrent was on at Turbine 14 on 6 of the remaining 10 nights, and 4 on Turbine 8. We recorded a total of 1,057 bats and observed a reduction in number of events and duration of events at the UAD-activated turbine when it was Turbine 14. When Turbine 8 had the UAD activated, we observed no difference in number or duration of events. Variation between turbines is not unusual and can cause issues when study designs have no true replication, i.e., multiple turbines per treatment. Within-turbine differences suggested a trend for reduced activity when UADs were activated, particularly for Turbine 14. These results may be caused by the overall higher bat activity at Turbine 8 and confounding of treatment assignment and seasonal trends. We mapped 58 bat events in 3-dimensional space (3D), 30 and 28 events during control and treatment conditions, respectively. We observed bats crossing the rotor plane under both control and treatment conditions and observed a total of 40 confirmed or near-collisions (i.e., target close to blade but no visual confirmation of a strike) out of a total of 1,491 medium and high confidence bat observations (880 control, 611 at treatment). Twice as many collisions/possible collisions were observed during control conditions. Given the challenges with the equipment and potential confounding of the data (i.e., different activity levels at the two wind turbines), we were unable to determine whether this initial turbine placement and orientation was optimal. Given no new information on how best to install the devices, we elected to use the same placement and orientation for the comparative study. For the Comparative Study, the objectives were to investigate the relative mortality rates among 4 treatments. We searched the area within 90 m of each turbine daily to recover the highest number of fresh fatalities possible. We were unable to detect a clear reduction in mortality from deterrents alone for any individual species. Surprisingly, mortality rate of the eastern red bat (Lasiurus borealis) was estimated to be 1.3–4.2 times as much when turbines were operating normally and UADs were on than when UADs were off. Reduction in mortality of all bat species combined due to curtailment of turbines was estimated to be between 0%–38%. This effect was nullified when, in addition to curtailment, UADs were on, with 95% confidence interval ranging from a 45% reduction to a 36% increase in mortality. This was likely due to the large proportion of eastern red bats in the total carcass population. Mortality of all low-frequency echolocating bats combined (i.e. hoary bat [L. cinereus], big brown bat [Eptesicus fuscus], silver-haired bat [Lasionycteris noctivagans]) relative to control was lower when curtailed (95% CI: 0%–74%), but the addition of UADs had no detectable effect (95%CI: 13%–79%). The combined treatment reduced mortality in silver-haired bats relative to control by 11%–99%, compared to curtailment (81% reduction–67% increase) or deterrent (82% reduction–67% increase) alone. Because silver-haired bats comprised a large proportion of low-frequency calling bats found during this study, a similar effect was seen for that group. The higher mortality observed for eastern red bats at UAD compared to control could have been caused by several factors, such as the effective range of the UAD, particularly at higher frequencies, behavior, positioning of the devices on the nacelle, or a combination of these. We used 3D thermal videography to compare control and UAD bat behavior from two turbines using a total of 203 3D bat-tracks across 34 nights. We recorded a similar number of bat-tracks between treatment groups, with 51% and 49% for control and UAD, respectively. Due to potential differences in bat behavior around spinning vs stationary turbine blades, we examined UAD effectiveness separately for non-operating turbines (feathered below cut-in speed of 3.5 m/s) and operating (normal operation above wind speed of 3.5 m/s). We found a higher proportion of bat-tracks at operating turbines (82%) compared to non-operating turbines (18%), although this does not account for overall time turbines were operating versus not. At non-operating turbines the UAD appears to be effective at reducing the amount of time, flight length, and number of passes through the rotor plane, compared to control. In addition, we found bats approached turbines similarly between control and treatment turbines, with 61% of control and 63% of UAD bat-tracks originating leeward of the hub. In contrast, at operating turbines, we saw little change in bat behavior in response to UADs. For example, we found an increase in the average duration of bat-tracks between non-operating and operating turbines for UAD but at control turbines we found average duration decreased once turbines became operational. Both control and UAD had a high proportion of bat-tracks that crossed the rotor plane (i.e., collision risk) originate from the windward side when turbines were operational 65% to 92%, respectively. Given that the UAD devices closest to the blades were orientated parallel to the blades, its possible bats were not exposed to the signal until they were close to the turbine blades, as suggested by the slightly higher mean duration within 5 meters of the blades for UAD turbines. Future research should consider concentrating UAD intensity on the areas of risk (i.e. blades) with enough buffer to allow bats to react to the sound before entering the rotor-swept area (RSA). In addition, investigating the potential of installing UAD units windward of the turbine blades (e.g. a hub-mounted UAD), particularly since even under control conditions, a relatively high proportion (65%) of crosses through the blade plane originated windward. 3D thermal videography provided valuable information on future testing strategies (e.g. device placement, UAD orientation) to improve UAD effectiveness when bats are at risk (i.e., operating wind turbines). Across the entire project we experienced issues with the operation and communication with the UADs. Most of the issues occurred during the Feasibility Study and were resolved prior to the Comparability Study. Additional challenges surfaced during the Comparability Study but were remedied immediately and are thought to have little impact on the results. We had logistical constraints at the project that limited our ability use traditional methods in our camera calibration. Several calibrations showed inaccurate scales, which may have been related to inadequate spatial coverage of “points” in the camera calibration volume. Because we were using actual video recordings of bats at a wind turbine, the behavior of bats could have concentrated “points” in specific areas of the turbine (i.e. leeward of nacelle), and limited “points” in other areas, resulting in camera calibration issues. We have plans to address these inconsistencies and improving the software and related methodologies by early 2020.

17 WIND ENERGY↗
DOE OSTI2025

A Data-Agnostic, Continuous Machine Learning Framework for Application in High Energy Physics and Beyond: Phase 1 Final Scientific/Technical Report

This Phase 1 effort has focused on the development of continual learning frameworks for use in machine learning, specifically in the applied context of High Energy Physics (HEP). Machine learning (ML) is a transformative technology by which computers, typically through the use of neural networks, are able to perform tasks with proficiency that rivals or surpasses that of human users. Model Degradation & Catastrophic Forgetting are two undesired phenomena which can occur in ML where the performance of a model degrades when either deployed on novel data streams, or trained on novel data which are sufficiently different than the data the models were initially trained on. A natural example where these sorts of effects can be observed is in the performance of detectors in harsh environments, where the detector signature may change over the lifetime of the detector as it ages and deteriorates — precisely what occurs in the experiments conducted in HEP. Real world HEP data is therefore an excellent test-ground and use-case for Continual Learning paradigms, which are techniques used in ML to counteract these problems. Ensemble learning is one such technique, where multiple smaller models are trained on subsets of the overall data and are ensembled together during inference. The intuition behind this technique is that, although there are shifts in the distributions which govern the incoming data streams, these shifts are not expected to be homogeneous or global. If a sufficient diversity in solutions within the various sub-models has been achieved, then at least one sub-model is expected to retain its performance within the overall ensemble. One further strength of this approach is that the architectures of the various models do not need to be identical, and in fact even different modalities of data can naturally be combined in this way. This work focused on applying ensemble learning techniques to derive results using two main datasets, anomaly detection in HEP data & time-series forecasting in semiconductor manufacturing data. Semiconductor manufacturing involves data with surprising similarity to that of HEP (e.g. wafer maps look very similar to digi-occupancy maps) and Cerium Lab’s prominence within the semiconductor industry makes semiconductor manufacturing a natural opportunity for commercialization of this work. Our efforts have led to two strong results. The first is that we evaluated the proposed ensembling techniques using previously proposed machine learning architectures for use in anomaly detection, namely AutoEncoder based models and their derivatives. We also developed new architectures which have not been evaluated in this context before. In fact, this work marks the first use of Vision Transformers for anomaly detection in HEP. Second, we demonstrated that ensemble learning significantly improves model performance in scenarios prone to degradation, validating its effectiveness across both HEP and semiconductor datasets. These results further support ensemble learning as a powerful strategy for mitigating catastrophic forgetting and maintaining robust performance in evolving data environments.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Multi-state Catalysts Modulated by Mechanical Force (Final Report)

The development of more efficient catalytic processes and new approaches to control catalytic activity and selectivity are central to the realization of more selective, atom economic, and energy efficient routes to value added chemicals and polymers. The reactivity and selectivity of a transition metal catalyst is intimately related to the ligand-sphere geometry and, in many cases, the ideal ligand geometry for one step of a catalytic cycle is poorly matched to the ideal ligand geometry for another, resulting in sub-optimal efficiency. Macroscopic mechanical forces are both large, potentially much larger than interatomic forces, and are directional and localized to an extent that differentiates them from other forms of energy input such as heat or light. As such, mechanical force represents a heretofore untapped approach to modulate catalyst geometry, with the potential to reversibly modulate catalyst geometry on the timescale of catalytic turnover or monomer enchainment. This project has addressed the fundamental challenges in material-to-molecule strain coupling associated with the development of a new class of mechanically responsive catalysts (mechanocatalysts) in which active organotransition metal catalysts are strategically embedded in a flexible polymer network such that application of external mechanical force (stretching or deformation) leads to modulation of catalyst geometry, and hence reactivity and selectivity. Our efforts during the tenure of this grant were directed toward the elucidation of force-reactivity relationships of elementary transformations that occur within the first coordination sphere of a transition metal complex employing stiff stilbene photoswitches tethered to a flexible bidentate phosphine ligand derived from MeOBiphep as molecular force probes which provide a range of compressive and extension forces to the coupled transition metal complex depending on the geometry of the stiff stilbene and length of the tethering chains. During the tenure of this grant, we have quantified the rate of C(sp 2 )-C(sp 2 ) reductive elimination from platinum(II) diaryl complexes containing bis(phosphine) force probe ligands as a function of mechanical force; compressive forces decreased the rate of reductive elimination whereas extension forces increased the rate relative to the strain-free MeOBiphep complex with a 3.4-fold change in rate over a ~290 pN range of restoring forces. In a similar manner, we have quantified the rate of oxidative addition of bromobenzene to low-ligated palladium(0) complexes containing force probe ligands as a function of mechanical force; compressive forces increase the rate of oxidative addition, whereas tensile forces decrease the rate with a ~6 fold change in rate across ~340 pN of force applied to the complexes. In both cases, experimental and computational analyses argue strongly against any significant force-induced perturbation of ground state geometry within the first coordination sphere of the reactant complexes. Rather, the force/rate behavior observed for these transformations across these ranges of forces is attributed to the coupling of force to the nuclear motion comprising the reaction coordinates for reductive elimination and oxidative addition. These results together inform the development of catalysts whose activity can be tuned by an external force that is adjusted within a catalytic cycle and suggest opportunities to experimentally map geometry changes associated with reactions in transition metal complexes and potential strategies for force-modulated catalysis.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2026

Rigor and Reproducibility in Electrocatalysis: Best Practices for Operando Studies

Operando measurements have rapidly expanded the scope of electrocatalysis by enabling direct observation of catalytic interfaces under working conditions and by linking structural, compositional, and spectroscopic observables to activity and selectivity. However, the growth of operando methods has outpaced the adoption of broadly shared experimental standards, creating persistent challenges in reproducibility, interpretation, and comparison across laboratories and platforms. This perspective synthesizes discussions from the 2025 National Science Foundation Workshop on Rigor and Reproducibility in Electrocatalysis and outlines a practical framework for the rigorous use of operando measurements in electrocatalysis. We highlight three recurring needs: careful implementation of complex methods to avoid overinterpretation; recognition that (subtle) differences in reactor architecture, hydrodynamics, and electrical boundary conditions can alter apparent kinetics and selectivity; and transparent reporting standards that enable meaningful cross-comparison without constraining measurement-specific cell innovation. Focusing on widely used techniques (including X-ray and vibrational spectroscopies, mass spectrometry, and electron microscopy), we discuss technique-specific pitfalls, cross-validation strategies, and recurring platform-agnostic considerations such as mass transport, current distribution, temporal-resolution mismatches, and catalyst evolution. This Perspective aims to strengthen the mechanistic inference and improve the reproducibility, comparability, and predictive value of operando electrocatalysis research.

X-ray absorption spectroscopy↗
DOE OSTI2025

Where to cool off: a geospatial framework for placement of cooling centers

Indoor cooling is essential to reduce heat stress and increase passive survivability during heatwaves. Although air conditioning (AC) is recommended for maintaining indoor thermal comfort, low- and medium-income households in the U.S. often do not own an AC and/or limit AC usage to reduce energy consumption and associated costs, thereby risking their health and safety. With the frequency and intensity of heatwaves increasing, cooling centers are considered an appropriate alternative to indoor cooling and a possible mitigation strategy to prevent adverse health impacts of heat exposure. However, these centers are limited in numbers and not always accessible. This requires (i) developing a geospatial framework using physical and social factors for optimal siting of cooling centers to meet future needs and (ii) ranking of existing and potential cooling centers (schools, libraries, religious institutions) based on their accessibility among vulnerable populations and proximity to healthcare facilities. We developed and deployed a geospatial framework based on the Multi-criteria Decision Analysis approach in five U.S. cities (Los Angeles (LA), Phoenix, Austin, Atlanta, Miami) to evaluate the effectiveness of the framework in ranking cooling centers based on accessibility and population coverage. The results revealed that (i) access to cooling centers varies across cities and 32.2–50.7% of centers are within walking distance of the most vulnerable populations, (ii) vulnerable populations exposed to Urban Heat Island (UHI) effects are more likely to experience energy burden, and (iii) about 21.2–49.4% of population with high energy burden have access to these centers. Considering that more cooling centers are needed to assist energy burdened households alleviate heat exposure impacts, the framework developed herein could be adapted to incorporate other factors (e.g. health impacts, policies) to assess site suitability of existing shelters, identify potential sites for new cooling centers, and geo-target communities where energy efficient emerging technologies could be deployed to reduce heat stress.

58 GEOSCIENCES↗
DOE OSTI2025

Investigation of Solid Particle Reactors for Nonoxidative Dehydrogenation of Ethane: Toward Solar Thermal Ethylene Production

Concentrating solar power plants can generate renewable heat at temperatures well above those of most industrial processes. Ceramic particles irradiated with concentrated sunlight can store high-quality sensible heat and transfer this to power generation systems. These concepts and materials hold great potential to also enable thermal processes in the chemical industry, but effective strategies for transferring heat from thermal energy storage media into chemical reactors are still under development. This present work evaluated the thermal and chemical compatibility of various solid particle media (including quartz, bauxite, and alumina particles) integrated directly into tube reactors and the subsequent effects on reactor performance for the nonoxidative dehydrogenation of ethane reaction. Empty tube reactors without loaded particles (representing conventional ethane cracking coils) showed significant heat transfer limitations as the tube diameter was scaled. The incorporation of media into the reactor significantly aided heat transfer to the gaseous ethane reactant and increased its conversion by as much as 10% at similar space velocities. Despite direct contact with hydrocarbon gases, alumina and quartz media showed negligible coke formation. Even during reaction in 100% ethane feed gas at 825 °C, the average selectivity of the coke product was only 0.57% when using the quartz media. These materials further demonstrated excellent thermal stability during subsequent reoxidation in air at 800 °C, which simulated the reheating of particles in a circulating particle solar receiver. Conversely, high rates of coke formation, with a product selectivity of 27.5%, were observed on sintered bauxite particles during the reaction, likely promoted by transition metal constituents. These particles fractured upon reoxidation due to exotherms generated from coke combustion. In conclusion, while the use of cofed steam could mitigate attrition of redox-active particles, the ability of inert metal oxide particles to efficiently transfer heat to concentrated ethane reactant gas while suppressing side reactions or degradation suggests that these media could effectively couple solar thermal plants to reactors for next-generation production of ethylene and other critical chemicals.

Hydrocarbons↗
DOE OSTI2026

Variability of MHD instabilities in benign termination of high-current runaway electron beams in the JET and DIII-D tokamaks

Benign termination, in which magnetohydrodynamic (MHD) instabilities deconfine runaway electrons (REs) following hydrogenic injections, is a promising strategy for mitigating dangerous RE loads after disruptions. Recent experiments on the Joint European Torus (JET) have explored this scenario at higher pre-disruptive plasma currents than are achievable on other devices, revealing challenges in obtaining benign terminations at I p ≥2.5 MA. This work analyzes the evolution of these high-current RE beams and their terminating MHD events using fast magnetic sensor measurements and EFIT equilibrium reconstructions for approximately 40 JET and 20 DIII-D tokamak discharges. On JET, unsuccessful non-benign terminations occur at low edge safety factor (q edge ≈ 2), and are preceded by intermittent, non-terminating MHD events at higher rational qedge. Trends in the internal inductance I i indicate more peaked RE current profiles in the high-I p non-benign population, which may hinder successful recombination through re-ionization of the companion plasma. In contrast, benign terminations on JET typically occur at higher q edge ≥3 and exhibit less peaked RE current profiles. DIII-D displays a broader range of terminating edge safety factors, again correlated with the measured values. Across both tokamaks, the RE current peaking is therefore found to determine which MHD instability boundary is encountered, a result confirmed by linear resistive MHD modeling with the CASTOR3D code. Measured growth rates are similar for benign and non-benign cases, indicating that ideal MHD timescales at low density after hydrogenic injection do not alone explain efficient RE deconfinement. Instead, non-benign cases are most readily characterized by their comparably lower overall MHD perturbation amplitudes δB. These observations suggest that the interplay between ideal and resistive dynamics governs the termination process, with implications for extrapolating benign RE termination to high-I p reactor scenarios.

MHD instabilities↗
DOE OSTI2020

Herbaceous Feedstock 2019 State of Technology Report

The U.S. Department of Energy (DOE) promotes the production of advanced liquid transportation fuels from lignocellulosic biomass by funding fundamental and applied research that advances the State of Technology (SOT). As part of its involvement with this mission, Idaho National Laboratory (INL) completes an annual SOT report for biomass feedstock logistics. This report summarizes supply system impacts of Bioenergy Technologies Office (BETO)-funded research and development efforts at INL and elsewhere (such as the High-Tonnage Feedstock Logistics projects (Webb et al. 2013a, Webb et al. 2013b, Webb et al. 2013c, Webb and Sokhansanj 2014, Sokhansanj et al. 2014)) that lead to improvements in feedstock supply systems. These include improvements to and observed performance of innovative harvest and collection methods, storage technologies, transportation and handling approaches, and advanced preprocessing technologies. Biomass quality and variability, and the interface between feedstock quality and conversion performance are key drivers in addition to delivered feedstock cost. In this report, we estimate the benefits of R&D improvements to individual supply system unit operations and present the status of feedstock logistics technology development for converting biomass into biofuels. These analyses are supported by experimental data where possible and help to align the SOT relative to the cost goals defined in the Multi-Year Program Plan. The 2019 Herbaceous SOT incorporates several technology changes in feedstock preprocessing and introduces opportunities from the integrated landscape management (ILM) strategy and increased grower participation to reduce biomass access costs, while maintaining or improving grower profitability. During FY18 uneven flow from the horizontal bale grinder was identified as a significant issue limiting preprocessing system throughput. Based on FSL-funded research at INL, the 2019 Herbaceous SOT replaces the horizontal bale grinder used in the first stage size reduction with a bale processor. The improved uniformity of biomass flow entering the PDU eliminated slugging flow from the first stage size reduction and improved the throughput of downstream operations. In order to achieve moisture reduction through frictional heating during grinding (which allowed elimination of the costly rotary drum dryer in previous SOTs), the second stage grinder was changed from a rotary shear, which does not remove moisture, back to a hammer mill. Finally, the 2019 Herbaceous SOT introduces modified three-pass and two-pass corn stover supply curves derived from the BT16 resource assessment, based on FY19 modeling results (WBS 4.2.1.20) quantifying economic benefits of ILM in the supply area, together with modeling results (WBS 1.2.1.5) identifying ILM strategies to increase grower participation. The 2019 Herbaceous SOT report documents the current modeled cost of an herbaceous feedstock supply system from harvest to the pretreatment reactor throat for hydrocarbon fuel production via biochemical conversion, based on equipment and processes now available or potentially available in the near term. The modeled cost also considers both the required quality and the availability of the biomass resources. The 2019 Herbaceous SOT predicts a modeled delivered feedstock cost of $81.37 /dry ton (2016$); this is a $2.30/dry ton (2016$) decrease from the 2018 Herbaceous SOT. Technology improvements that contributed to this modeled cost reduction include reduced cost for the new preprocessing design and quantification of the opportunities of the integrated landscape management (ILM) strategy and an increased grower participation rate to reduce the grower payment portion of biomass access costs, while maintaining or improving grower profitability. A greenhouse gas emissions (GHG) assessment was completed by Argonne National Laboratory using the 2019 Greenhouse Gases, Regulated Emissions, and Energy use in Transportation model, estimating an increase of 14.89 kg CO2e/ton from the 2018 SOT (69.27 kg CO2e/ton in 2018 to 84.16 kg CO2e/ton in 2019). The increase of energy consumption during preprocessing along with higher transportation distance to access low cost biomass from further distance contributed to the increase of GHG emissions in the 2019 Herbaceous SOT. The reason for the increased transportation distances was the cost tradeoff of going farther from the biorefinery to access the cheaper ILM-derived counties (the cheaper price outweighed the cost of increased supply radius).

09 BIOMASS FUELS↗
DOE OSTI2020

Double-Shell Tank Primary Bottom Visual Inspection Results - 20025

A pressing need for the Double-Shell Tank Integrity Program at Hanford is of the ability to inspect the bottom of the tanks. Though the DSTs' annulus spaces (the space between the internal and external tank walls) have been inspected visually since 1992 and with Ultrasonic Testing (UT) since 1996, inspections of the tank bottoms have been able to be conducted due to limitations of available technology, omitting about 40 percent of the tank surface below the maximum fill level from routine inspection. Visual inspections of the tank annulus have been conducted up to five times in some DSTs and portions of the annulus space for all of the DSTs has been inspected twice with UT. This region includes the walls of the primary tank and secondary liner along with accessible portions of the secondary liner bottom. Due to this lack of technology, the degradation of the primary tank bottom in Tank AY-102 was undetected until the tank leaked into its annulus space, confirmed in 2012. Since that time, WRPS has been working with the nondestructive examination community and the Pacific Northwest National Laboratory, to evaluate potential technologies to conduct these challenging remote inspections. Recent work has included the development, testing, and deployment of several remote visual inspection technologies to observe the condition of the primary tank bottom of the DSTs by leveraging air distribution slots in the refractory pad on which it rests. Robotic solutions to conduct this inspection were developed with a detailed understanding of the physical configuration and operational logistics. Understanding and subsequent communication of these details to vendors within the robotics and nondestructive examination community was a critical component to the successful production of these new tools. Throughout the FY16-FY18 years, vendors from nondestructive examination community were solicited for ideas to meet the tank bottom inspection challenge. Two tank bottom visual inspection solutions were then pursued to meet that challenge. Both tools were successfully deployed at Tank AP-107, and provided valuable visuals, never before obtained from the under tank environment of a double-shell tank. While there are minor opportunities for improvement identified with each system, general outcomes were overwhelmingly positive. Both systems were successfully able to navigate the refractory air slot pattern from the outer edge to the tank center and record video footage. The micro-crawler provided high quality and very stable footage through the air slot pattern, but took longer to deploy into the slots and traverse through them than the alternative system. The push-pull tethered camera was able to navigate all seven of its target air slots in a matter of a few hours, which included deployment, movement between slot entrances, and complete removal of the system from the annulus environment. Through these air slots, new information was gained about the tank bottom and refractory pad condition of tank AP-107, AP-106, AP-108, and AN-102. While some debris was noted in the air slots, including sand, chipped refractory, and construction materials, the refractory was found to be structurally stable and adequately supporting the primary tank bottom through the full diameter of the tank. Primary tank bottom steel exterior was found to be in good condition, free of ongoing or aggressive corrosion conditions. Looking toward the future, robotic access to and visual inspection of refractory air slots and the primary tank bottom steel has now proven viable. Incorporating periodic air slot inspections as a regular practice within the Double-Shell Tank Integrity Program is the next step, allowing trending of any changes in condition. As ultrasonic testing infrastructure was leveraged to complete the initial system deployments described in this report, it makes sense to adopt that same strategy for ongoing periodic examinations and deploy these primary tank bottom inspection tools alongside ultrasonic testing operations. Development of visual inspection tools to evaluate the primary tank bottom region of the double-shell tanks was planned as the first stage of inspection. Continued development of volumetric sensors and incorporation of these inspection tools into Hanford's ongoing Double-Shell Tank Integrity Program are the next steps, seeking to continuously expand understanding of asset integrity and remaining useful life. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Digital Twin Model for Advanced Manufacture of a Rotating Detonation Engine Injector

A digital twin material model (DTMM) of an additive manufacturing (AM) process was created to advance the state of the art in rotating detonation engine (RDE) injector design. Current RDE injectors are designed with large pressure drops, enabling a stable and repeatable combustion process. However, this comes at the cost of system efficiency. For the technology to transition to commercial fossil-based power generation, it is important to develop injectors with reduced flow losses. Low-loss injectors are difficult to design and manufacture with conventional manufacturing techniques. AM enables new design options, but the AM manufacturing process must be thoroughly understood to result in a robust design. A DTMM provides the necessary insight by defining the cause-effect relationships between process parameters, microstructure features, and properties. Therefore, a DTMM to support the design and manufacturing process was developed and applied to the design of a new additively manufactured low-loss injector. The injector combustion behavior was characterized through hot-fire tests, and mechanical performance was compared to the DTMM predictions. The two project goals were the successful development of the DTMM and the demonstration of an improved RDE injector design. The RDE injector design and DTMM developments occurred on parallel but dependent paths. The injector was designed to reduce pressure drop by increasing the cross-sectional flow area ratio between the injector air passages and the combustor annulus. This resulted in less structural material, raising the concern that thin members would be susceptible to high-cycle fatigue (HCF) under the periodic loading inherent to an RDE. It was most important for the DTMM to predict behavior in these features; therefore, the injector design concept guided the material thicknesses used in fatigue tests. The DTMM development started by manufacturing a series of coupons over the range of possible AM process variations. A design-of-experiment approach was used to select which process variable combinations gave the most efficient coverage relevant to the injector design space. The microstructure in each of these coupons was characterized, and then computational methods were used to create a numerical model of the correlation between process variables and microstructure. Next, a set of HCF samples were tested to calibrate existing models that map microstructure to HCF performance. Together, these two links formed the DTMM that calculates HCF behavior from AM process variables. Two injector prototypes were additively manufactured. The first injector design strategy aggressively pursued low-loss performance by substantially increasing the oxidizer flow area. The combination of manufacturing lead times and the fatigue testing schedule meant that the DTMM was not available when building this first prototype. Therefore, its process parameters were chosen based on a manual review of the available coupon data. This prototype was built successfully and evaluated in 58 combustion tests. Sustained detonation was achieved with remarkably reduced pressure loss, and some tests even displayed pressure loss characteristics similar to conventional gas turbine combustors. This achieved the project goal of improving RDE injector design. The second injector was manufactured according to the optimized parameters predicted by the DTMM. The flow area modifications of this injector were less aggressive than the first injector since demonstrating low pressure loss was not an objective of the second hot-fire test series. Rather, the test objective was to cause high cycle fatigue failure in the part due to periodic loading from the rotating detonation wave. The observed number of cycles to failure was to be compared to the number predicted by the DTMM and thereby assess the utility of the DTMM in component design. However, the required level of vibration was not obtained during combustion. Therefore, high cycle fatigue was not experienced in the hot-fire tests of the second injector. Fatigue data was obtained by further testing the second injector in a conventional HCF test apparatus. The injector demonstrated HCF strength above the DTMM prediction. In fact, it did not fail and testing was only discontinued due to reaching the end of the period of performance. This points to some success in the project’s primary goal of successfully developing and applying the DTMM to a component design. Implementing the DTMM recommendations for optimal processing parameters led to a part with acceptable properties. The DTMM was also shown to be an efficient correlator of data and to provide insight into the relationship between process settings, microstructure, and property performance. However, the failure of the DTMM prediction to match the experimental result of the injector fatigue test also points to the need to include significantly more data in the model development. In this project, coupons made with identical processing parameters exhibited drastically different properties from each other and from the injector part, which clearly influences the accuracy of a model that predicts performance based on parameters. Uncertainties in the build process must be quantified to develop more robust models. A denser and broader matrix of coupon process and geometry variations, several repeated builds of every point, more in-situ build process measurements, and direct observation of tensile and HCF sample microstructure (as opposed to separate microstructure specimens) are recommendations to improve future AM modeling efforts.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2020

Analysis of Hydrology and Interim Measure Performance in the Chromium Plume at Los Alamos National Laboratory - 20498

Hexavalent chromium, Cr(VI), is present in the regional aquifer beneath Los Alamos National Laboratory (LANL) at concentrations greater than the New Mexico groundwater standard (50 ppb). The source of the Cr is blowdown from a power plant where potassium dichromate was used as a corrosion inhibitor from 1956 to 1972. Blowdown comingled with effluent from another source and migrated approximately 3 miles down a canyon, primarily as surface flow, until reaching an alluvial infiltration zone. The infiltrating water moved vertically through a thick (approximately 900 ft), complex stratigraphic sequence of unsaturated tuffs, basalt, and unconsolidated alluvial deposits. Horizontal transport also took place within spatially limited perched groundwater horizons in the vadose zone (VZ). Breakthrough at the regional aquifer water table is thought to have occurred in multiple hydraulic windows or 'drip points' located approximately 3 miles from the initial release site at the power plant. The regional aquifer is highly heterogeneous and anisotropic, and displays unconfined behavior in an upper zone and confined behavior at depth. The Cr(VI) contamination has so far remained confined to the upper approximately 25 m of the aquifer. The ambient hydraulic gradient in the regional aquifer is toward the east/southeast, but the water table is extremely flat in the Cr plume area compared to surrounding areas. There is some local variability in flow direction, potentially related to effects of seasonal pumping from nearby Los Alamos county water-supply wells, which draw from the regional aquifer several hundred feet below the water table. An interim measure (IM) is currently operating at the site to achieve hydraulic control of plume migration using a series of extraction wells, ion-exchange treatment, and injection along the downgradient portion of the plume. The migration of Cr contamination in the aquifer has been previously evaluated using a calibrated probabilistic numerical model, which has also been used to design the spatial configuration of extraction and injection wells for the IM, and to identify locations for monitoring wells. The model is built using the Finite Element Heat and Mass (FEHM) transfer code, and the Model Analysis and Decision Support (MADS) software is used for analyses. To date, the portion of the IM system that has operated in a continuous manner has been very effective at hydraulic control. Modifications to the flow field associated with the influence of IM pumping and injection are evaluated here, with modeling constraints to be provided by recent observations of tracers injected into both monitoring wells and IM injection wells, as well as opportunistic observations of geochemical signatures of treated ion-exchange effluent injected into IM injection wells. The tracer and geochemical data provide insights into modified flow directions within the Cr plume area that cannot be otherwise obtained. Results of the modeling work are being used to inform adaptive management of IM operations and will be a valuable tool for development and refinement of long-term remediation strategies. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗