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

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At least 1,783 records · Page 99
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DOE OSTI2026

Adsorption Hysteresis Under Control: Tuning Host–Guest Interactions via a Genetic Algorithm

Mesoporous adsorbent materials offer a large volumetric capacity; however, cyclic adsorption/desorption processes in these systems often suffer from hysteresis and may require a significant pressure swing to access this capacity. To mitigate hysteresis, a proposed strategy is to include nucleation sites on the walls of the mesoporous material to facilitate droplet and bubble formation, lowering the free energy barriers to the respective phase transitions. It is unclear, however, what combination of adsorbate− adsorbent interactions and spatial patterning would be beneficial for a given application, considering that improvements to some sorption properties may come at the expense of other attributes. To understand these interconnected observables, we examine two model systems, planar-slit and cylindrical pores with tunable interaction sites, using GPU-accelerated transition matrix Monte Carlo simulations. The simulations provide a free energy map of the pressure−adsorption space in a matter of minutes, which we use to track adsorption isotherm characteristics as a function of adsorbent properties. We then leverage the rapid acquisition of simulation data to construct a genetic algorithm to iteratively modify interaction sites of the slit-pore wall to minimize the hysteresis of this system without sacrificing uptake. We find that the adsorption branch of the isotherm is easily modulated via the average host−guest interaction strength, but desorption is only adjustable if there is a suitable bubble nucleation site. Within the context of a slit-pore system, we identify relative interaction strengths and patch sizes required to gain control over both branches of the hysteresis loop.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2018

Cover Crops May Cause Winter Warming in Snow-Covered Regions

Cover crops, grown between cash crops when soil is fallow, are a management strategy that may help mitigate climate change. The biogeochemical effects of cover crops are well documented, as they provide numerous localized benefits to farmers. We test potential biogeophysical climate impacts of idealized cover crop scenarios by assuming that cover crops are planted offseason in all crop regions throughout North America. Our results suggest that planting cover crops increases wintertime temperature up to 3 °C in central North America by decreasing albedo in regions with variable snowpack. Cover crops with higher leaf area indices increase temperature more by decreasing broadband albedo, while decreasing cover crop height helped to mitigate the temperature increase as the shorter height was more frequently buried by snow. Thus, climate mitigation potential must consider the biogeophysical impacts of planting cover crops, and varietal selection can minimize winter warming.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2023

Projection of Future Fire Emissions Over the Contiguous US Using Explainable Artificial Intelligence and CMIP6 Models

Abstract Increasing temperature and water cycle changes due to warming climate may increase the frequency and intensity of wildfires. Fire emission projections are useful for informing strategies for adaptation and mitigation of fire impacts on societies and ecosystems. Here, we construct a neural network (NN) model explained by the Shapley Additive explanation to predict fire PM 2.5 emissions change and understand their drivers over the contiguous US (CONUS) in the mid‐21st century under a high greenhouse gas emissions scenario (SSP5‐8.5). Using future meteorology and leaf area index (LAI) simulated by eight global climate models from the Coupled Model Intercomparison Project Phase 6, future population density, and present‐day land use and land cover (LULC) as input to the NN model, the total fire PM 2.5 emissions over CONUS are projected to increase by 4%–75% (model spread). Among different regions, fire emissions in the western US are projected to increase more significantly in June‐July‐August than in other seasons and regions, with the median ratios of future to present‐day fire emissions ranging from 1.67 to 2.86. The increases in fire emissions are mainly driven by increasing normalized temperature (23%–29%) and decreasing soil moisture (2%–10%) in the future. When future LULC change is considered, the projected fire emissions further increase by 58%–83% over the western US compared to projections without LULC change because of future increases in vegetation fraction. The results highlight the important role of warmer temperature, decreasing soil moisture, and LULC change in increasing fire emissions in the future.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Intermediate soil acidification induces highest nitrous oxide emissions

Global potent greenhouse gas nitrous oxide (N 2 O) emissions from soil are accelerating, with increases in the proportion of reactive nitrogen emitted as N 2 O, i.e., N 2 O emission factor (EF). Yet, the primary controls and underlying mechanisms of EFs remain unresolved. Based on two independent but complementary global syntheses, and three field studies determining effects of acidity on N 2 O EFs and soil denitrifying microorganisms, we show that soil pH predominantly controls N 2 O EFs and emissions by affecting the denitrifier community composition. Analysis of 5438 paired data points of N 2 O emission fluxes revealed a hump-shaped relationship between soil pH and EFs, with the highest EFs occurring in moderately acidic soils that favored N 2 O-producing over N 2 O-consuming microorganisms, and induced high N 2 O emissions. Our results illustrate that soil pH has a unimodal relationship with soil denitrifiers and EFs, and the net N 2 O emission depends on both the N 2 O/(N 2 O + N 2 ) ratio and overall denitrification rate. These findings can inform strategies to predict and mitigate soil N 2 O emissions under future nitrogen input scenarios.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Structural basis for saxitoxin congener binding and neutralization by anuran saxiphilins

Dinoflagellates and cyanobacteria produce saxitoxin (STX) and ~50 congeners that disrupt bioelectrical signals by blocking voltage-gated sodium channels (NaVs). Consuming seafood carrying these toxins causes paralytic shellfish poisoning (PSP). Although NaVs and anuran STX binding proteins (saxiphilins, Sxphs) use convergent STX binding modes, the structural basis for STX congener recognition is unknown. Here, we show that American bullfrog (Rana catesbeiana) RcSxph and High Himalaya frog (Nanorana parkeri) NpSxph sequester STX congeners using a ‘lock and key’ mode shared with STX. Importantly, functional studies demonstrate that Sxph ‘toxin sponges’ reverse NaV block by multiple STX congeners and detect these toxins in a radioligand binding assay (RBA) used for environmental testing. Together, our study establishes how Sxphs sequester select neurotoxins and uncover STX congener-specific interactions distinct from NaVs. These findings expand understanding of toxin sponge action and provide a foundation for strategies to monitor and mitigate the harmful effects of STX congeners.

Zakrzewska, Sandra↗
DOE OSTI2023

Increased drought and extreme events over continental United States under high emissions scenario

The frequency, severity, and extent of climate extremes in future will have an impact on human well-being, ecosystems, and the effectiveness of emissions mitigation and carbon sequestration strategies. The specific objectives of this study were to downscale climate data for US weather stations and analyze future trends in meteorological drought and temperature extremes over continental United States (CONUS). We used data from 4161 weather stations across the CONUS to downscale future precipitation projections from three Earth System Models (ESMs) participating in the Coupled Model Intercomparison Project Phase Six (CMIP6), specifically for the high emission scenario SSP5 8.5. Comparing historic observations with climate model projections revealed a significant bias in total annual precipitation days and total precipitation amounts. The average number of annual precipitation days across CONUS was projected to be 205 ± 26, 184 ± 33, and 181 ± 25 days in the BCC, CanESM, and UKESM models, respectively, compared to 91 ± 24 days in the observed data. Analyzing the duration of drought periods in different ecoregions of CONUS showed an increase in the number of drought months in the future (2023–2052) compared to the historical period (1989–2018). The analysis of precipitation and temperature changes in various ecoregions of CONUS revealed an increased frequency of droughts in the future, along with longer durations of warm spells. Eastern temperate forests and the Great Plains, which encompass the majority of CONUS agricultural lands, are projected to experience higher drought counts in the future. Drought projections show an increasing trend in future drought occurrences due to rising temperatures and changes in precipitation patterns. Our high-resolution climate projections can inform policy makers about the hotspots and their anticipated future trajectories.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Operando video microscopy of Li plating and re-intercalation on graphite anodes during fast charging

Despite the demand for fast-charging lithium (Li)-ion batteries, high-energy-density batteries with thick graphite anodes are limited by Li plating when charging at >4C rates. In this work, plan-view operando video microscopy is applied on >3 mA h cm –2 calendared graphite electrodes to study the dynamic evolution of local state-of-charge (SoC) and Li plating during fast charging. This technique allows for visualization of the spatial heterogeneity in SoC across the electrode, nucleation and growth of Li filaments, Li re-intercalation into graphite, “dead Li” formation, and SoC equilibration. The operando microscopy analysis is complemented by ex situ imaging of through-plane gradients in SoC to gain a three-dimensional visualization of spatial heterogeneity. We demonstrate that (1) Li plating preferentially nucleates on the graphite particles that lithiate fastest during fast charging; (2) the onset of Li plating correlates with the local minimum of the graphite electrode potential; (3) galvanic corrosion currents are responsible for Li re-intercalation, dead Li formation, and SoC re-equilibration after fast charging; and (4) electrochemical signatures during OCV rest or discharge are associated with Li re-intercalation into graphite. Furthermore, this work provides insight into the Li–graphite interactions at the composite electrode level and can be used to inform strategies to diagnose and mitigate Li plating during fast charging.

25 ENERGY STORAGE↗
DOE OSTI2014

The influence of an ITER-like wall on disruptions at JET

In order to preserve the integrity of large tokamaks such as ITER, the number of disruptions has to be limited. JET has operated previously with a low frequency of disruptions (i.e., disruption rate) of 3.4% [P. C. de Vries et al., Nucl. Fusion 51, 053018 (2011)]. The start of operations with the new full-metal ITER-like wall at JET showed a marked rise in the disruption rate to 10%. A full survey was carried out to identify the root causes, the chain-of-events and classifying each disruption, similar to a previous analysis for carbon-wall operations. It showed the improvements made to avoid various disruption classes, but also indicated those disruption types responsible for the enhanced disruption rate. The latter can be mainly attributed to disruptions due to too high core radiation but also due to density control issues and error field locked modes. Detailed technical and physics understanding of disruption causes is essential for devising optimized strategies to avoid or mitigate these events.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Physics of runaway electrons in tokamaks

This review covers basic physics ingredients of the runaway phenomenon and the ongoing efforts (experimental and theoretical) aimed at runaway electron taming in the next generation tokamaks. We emphasize the prevailing physics themes of the last 20 years: the hot-tail mechanism of runaway production, runaway electron interaction with impurity ions, the role of synchrotron radiation in runaway kinetics, runaway electron transport in presence of magnetic fluctuations, micro-instabilities of runaway electrons in magnetized plasmas, and vertical stability of the plasma with runaway electrons. Here, the review also discusses the implications of the runaway phenomenon for ITER and the current strategy of runaway electron mitigation.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Scalable quantum simulations of scattering in scalar field theory on 120 qubits

Simulations of collisions of fundamental particles on a quantum computer are expected to have an exponential advantage over classical methods and promise to enhance searches for new physics. Furthermore, scattering in scalar field theory has been shown to be bounded-error quantum polynomial time (BQP) complete, making it a representative problem for which quantum computation is efficient. As a step toward large-scale quantum simulations of collision processes, scattering of wave packets in one-dimensional scalar field theory is simulated using 120 qubits of IBM’s Heron superconducting quantum computer ibm_fez. Variational circuits compressing vacuum preparation, wave packet initialization, and time evolution are determined using classical resources. By leveraging physical properties of states in the theory, such as symmetries and locality, the variational quantum algorithm constructs scalable circuits that can be used to simulate arbitrarily large system sizes. A new strategy is introduced to mitigate errors in quantum simulations, which enables the extraction of meaningful results from circuits with up to 4924 two-qubit gates and two-qubit gate depths of 103. The effect of interactions is clearly seen, and is found to be in agreement with classical matrix product state simulations. Finally, the developments that will be necessary to simulate high-energy inelastic collisions on a quantum computer are discussed.

quantum circuits↗
DOE OSTI2023

Emergency Asset Positioning for Resilient Transmission Grid Operation

In this paper we study a problem of hurricane emergency preparedness via placement of emergency storage assets prior to its strike. We present a two-stage stochastic model for choosing locations and quantities of emergency storage to help support the power grid through a hurricane event. The expectation of losses in our two-stage model is estimated using the sample average approximation. We construct damage scenarios for sample average approximation using WIND Toolkit meteorological data and fragility curves of various electric grid components. We demonstrate the efficacy of our two-stage planning model by simulating operations during Hurricane Dolly on the 2000-bus transmission test system. Our model, coupled with our scenario selection strategy, is effective at mitigating loss of load when compared to a model without emergency storage assets placed prior to an extreme event.

emergency preparedness↗
DOE OSTI2018

Wide-area Demand-side Control for Inter-area Oscillation Mitigation in Power Systems

Inter-area oscillations have severely limited maximum power transfer among different areas in large-scale interconnected power grid. If not quickly damped as soon as possible, they may cause system breakup and even lead to large cascading blackouts. To increase the damping of inter-area oscillations, both power system stabilizer~(PSS) and flexible AC transmission system~(FACTS) controller have been widely considered, which affect the real power flow indirectly. However, the effectiveness of these controllers is restricted to the neighborhood of a prescribed set of operating conditions. In this paper, wide-area demand-side control is developed to directly modulate the real power of end-user loads for oscillation mitigation. The proposed control strategy is implemented in a hierarchical manner. At the device layer, individual end-user loads independently turn ON or OFF in response to the broadcasted signals from the coordinator during the real time. At the supervisory layer, autonomous responses of end-user loads are coordinated to ensure the desired power modulation. The effectiveness of the proposed wide-area demand-side control in improving small-signal stability is illustrated by simulations on a large-scale test system.

Lian, Jianming↗
DOE OSTI2014

WE-G-17A-03: MRIgRT: Quantification of Organ Motion

Purpose: To develop an MRI-based methodology and tools required for the quantification of organ motion on a dedicated MRI-guided radiotherapy system. A three-room facility, consisting of a TrueBeam 6X linac vault, a 1.5T MR suite and a brachytherapy interventional room, is currently under commissioning at our institution. The MR scanner can move and image in either room for diagnostic and treatment guidance purposes. Methods: A multi-imaging modality (MR, kV) phantom, featuring programmable 3D simple and complex motion trajectories, was used for the validation of several image sorting algorithms. The testing was performed on MRI (e.g. TrueFISP, TurboFLASH), 4D CT and 4D CBCT. The image sorting techniques were based on a) direct image pixel manipulation into columns or rows, b) single and aggregated pixel data tracking and c) using computer vision techniques for global pixel analysis. Subsequently, the motion phantom and sorting algorithms were utilized for commissioning of MR fast imaging techniques for 2D-cine and 4D data rendering. MR imaging protocols were optimized (e.g. readout gradient strength vs. SNR) to minimize the presence of susceptibility-induced distortions, which were reported through phantom experiments and numerical simulations. The system-related distortions were also quantified (dedicated field phantom) and treated as systematic shifts where relevant. Results: Image sorting algorithms were validated for specific MR-based applications such as quantification of organ motion, local data sampling, and 4D MRI for pre-RT delivery with accuracy better than the raw image pixel size (e.g. 1 mm). MR fast imaging sequences were commissioning and imaging strategies were developed to mitigate spatial artifacts with minimal penalty on the image spatial and temporal sampling. Workflows (e.g. liver) were optimized to include the new motion quantification tools for RT planning and daily patient setup verification. Conclusion: Comprehensive methods were developed and validated for the quantification of organ motion with applications in MRI-guided RT.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2016

SU-G-JeP1-15: Sliding Window Prior Data Assisted Compressed Sensing for MRI Lung Tumor Tracking

Purpose: Prior Data Assisted Compressed Sensing (PDACS) is a partial k-space acquisition and reconstruction method for mobile tumour (i.e. lung) tracking using on-line MRI in radiotherapy. PDACS partially relies on prior data acquired at the beginning of dynamic scans, and is therefore susceptible to artifacts in longer duration scan due to slow drifts in MR signal. A novel sliding window strategy is presented to mitigate this effect. Methods: MRI acceleration is simulated by retrospective removal of data from the fully sampled sets. Six lung cancer patients were scanned (clinical 3T MRI) using a balanced steady state free precession (bSSFP) sequence for 3 minutes at approximately 4 frames per second, for a total of 650 dynamics. PDACS acceleration is achieved by undersampling of k-space in a single pseudo-random pattern. Reconstruction iteratively minimizes the total variations while constraining the images to satisfy both the currently acquired data and the prior data in missing k-space. Our novel sliding window technique (SW-PDACS), uses a series of distinct pseudo-random under-sampling patterns of partial k-space – with the prior data drawn from a sliding window of the most recent data available. Under-sampled data, simulating 2 – 5x acceleration are reconstructed using PDACS and SW-PDACS. Three quantitative metrics: artifact power, centroid error and Dice’s coefficient are computed for comparison. Results: Quantitively metric values from all 6 patients are averaged in 3 bins, each containing approximately one minute of dynamic data. For the first minute bin, PDACS and SW-PDACS give comparable results. Progressive decline in image quality metrics in bins 2 and 3 are observed for PDACS. No decline in image quality is observed for SW-PDACS. Conclusion: The novel approach presented (SW-PDACS) is a more robust for accelerating longer duration (>1 minute) dynamic MRI scans for tracking lung tumour motion using on-line MRI in radiotherapy. B.G. Fallone is a co-founder and CEO of MagnetTx Oncology Solutions (under discussions to license Alberta bi-planar linac MR for commercialization).

60 APPLIED LIFE SCIENCES↗
DOE OSTI2019

A layered defense against plant pathogens

Diseases affecting crops take a toll on agricultural yields worldwide. Strategies to eradicate or mitigate these pathogens include breeding resistant genotypes, crop rotation, and chemical or biological treatments. A phenomenon called “suppressive soils” has attracted considerable interest because such soils can reduce disease incidence despite pathogen presence, a susceptible host, and favorable conditions for infection. If the secrets of suppressive soils could be unlocked, it might be possible to confer suppressiveness to other soils without the risks and losses associated with repeated cropping on disease-affected fields. Suppressive soils have long been suspected to be mediated by microbiota, particularly because suppressiveness is lost upon sterilization and can be transferred from one soil to another through mixing. Finally, on page 606 of this issue, Carrión et al. (1) demonstrate that they can confer disease suppressiveness when specific bacteria are added as a consortium to a conducive soil.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Performance and Durability of Heavy-Duty Fuel Cell Systems with an Advanced Ordered Intermetallic ORR Alloy Catalyst and Novel Support

Ordered PtCo intermetallic (OIM) catalyst (L1 0 -PtCo/C) is a promising candidate as the oxygen reduction reaction (ORR) catalyst in hybrid fuel cell systems (FCS) for class-8 heavy duty (HD) trucks. Compared to a baseline annealed Pt on high surface area carbon (a-Pt/HSC) catalyst, its mass activity (MA) is 71% higher initially and 144% higher after 90,000 potential cycles in an accelerated stress test (AST). Analysis of the AST data indicates that the ORR kinetic constants do not change with aging and the degradation in the OIM catalyst activity is linearly proportional to the loss in the electrochemically active surface area (ECSA). Several operational strategies are investigated to mitigate catalyst degradation and achieve 25,000-h electrode lifetime and 2.5 kW g −1 Pt utilization on a HD truck duty cycle including load sharing with the hybrid battery, regulating the radiator fan power to maintain the coolant temperature close to 60 °C, clipping the maximum cell voltage below 850 mV, limiting the ECSA loss to 55%, and oversizing the active area of the membrane electrode assemblies by 20%. Drive cycle simulations indicate that the lifetime average voltage degradation rate is about 1.8 μV h −1 and the integrated stack and FCS drive cycle efficiencies decrease by 3.5 to 3.9%.

25 ENERGY STORAGE↗
DOE OSTI2019

Advancing Lithium- and Manganese-Rich Cathodes through a Combined Electrolyte Additive/Surface Treatment Strategy

Lithium- and manganese-rich (LMR) materials provide cost and environmental advantages to other competing cathodes based on nickel or cobalt chemistries. Within the LMR family, layered-layered-spinel (LLS) cathodes have unique properties, detailed herein, that address several of the challenges faced in large-scale implementation of LMR cathodes. This paper details how a LLS//graphite system was considerably improved by combining optimization strategies. First, a cathode surface-treatment process was optimized. Interestingly, cathodes surface-treated at a low temperature (similar to 100 degrees C) exhibited the best results. The optimized LLS cathode was tested vs. graphite using small amounts of lithium difluoro(oxalate)borate electrolyte additive. The combined approach improved various aspects of the electrochemical performance (e.g., impedance, cycle life, and coulombic efficiency) more than each strategy used alone by mitigating Mn dissolution from the cathode and the ensuing deposition on the anode. The report describes a unique method to improve the performance of practically relevant LMR//graphite cells.

25 ENERGY STORAGE↗
DOE OSTI2014

Collective input/output under memory constraints

Compared with current high-performance computing (HPC) systems, exascale systems are expected to have much less memory per node, which can significantly reduce necessary collective input/output (I/O) performance. In this study, we introduce a memory-conscious collective I/O strategy that takes into account memory capacity and bandwidth constraints. The new strategy restricts aggregation data traffic within disjointed subgroups, coordinates I/O accesses in intranode and internode layers, and determines I/O aggregators at run time considering memory consumption among processes. We have prototyped the design and evaluated it with commonly used benchmarks to verify its potential. The evaluation results demonstrate that this strategy holds promise in mitigating the memory pressure, alleviating the contention for memory bandwidth, and improving the I/O performance for projected extreme-scale systems. Given the importance of supporting increasingly data-intensive workloads and projected memory constraints on increasingly larger scale HPC systems, this new memory-conscious collective I/O can have a significant positive impact on scientific discovery productivity.

collective input/output↗