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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 1,153 records · Page 64
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Real time operation of high-capacity electric vehicle ridesharing fleets

We study the feasibility of using electric vehicles in online, high-capacity ridepooling systems. Prior work has shown that online algorithms perform well for centrally-controlled, high-capacity ridepool systems. First, we propose a mixed integer linear program to expand past algorithms on ridepooling to electric vehicle fleets with the objective of scheduling vehicle charging to maintain sufficient fleet sizes at various times of day. Then we show a faster, scalable algorithm with similar performance that is practical for full-scale systems. Furthermore, our contributions reinforce the importance of having knowledge and estimates of future demand even when operating in the online setting.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2024

Heuristic solutions to the single depot electric vehicle scheduling problem with next day operability constraints

This study focuses on the single depot electric vehicle scheduling problem (SDEVSP) within the broader context of the vehicle scheduling problem (VSP). By developing an effective scheduling model using mixed-integer linear programming, we generate bus blocks that accommodate electric vehicles (EVs), ensuring successful completion of each block while considering recharging requirements between blocks and during off-hours. Next day operability constraints are also incorporated, allowing for seamless repetition of blocks on subsequent days. The SDEVSP is known to be computationally complex, deriving optimal solutions unattainable for large-scale problems within reasonable timeframes. To address this, we propose a two-step solution approach: first solving the single depot VSP, and then addressing the block chaining problem (BCP) using the blocks generated in the first step. The BCP focuses on optimizing block combinations to facilitate recharging between consecutive blocks, considering operational constraints. Further, a case study conducted reveals that nearly 100% electrification for Chicago, IL and Austin, TX transit buses is viable yet requires 1.6 EVs at 150-mile range per diesel vehicle.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Joint optimization of electric bus charging infrastructure, vehicle scheduling, and charging management

High upfront costs of vehicles and charging infrastructure as well as the lack of knowledge related to infrastructure planning and electric bus system operation are major obstacles to the implementation of battery electric buses (BEBs). To tackle the obstacles and promote BEB adoption, a comprehensive optimization framework was developed to address the combined charging infrastructure planning, vehicle scheduling, and charging management problem for BEB systems, with the goal to minimize the total cost of ownership. The problem was formulated as a mixed-integer non-linear problem. A genetic algorithm-based approach was then proposed to solve the problem. Last, three alternative scenarios based on a sub-transit network in Salt Lake City, Utah, were analyzed and compared with the optimal scenario results in the numerical experiments. Our comparison results demonstrate the effectiveness of the proposed model and solution algorithm in determining a cost-efficient planning strategy for BEB systems.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Glioblastoma cell migration is directed by electrical signals

Electric field (EF) directed cell migration (electrotaxis) is known to occur in glioblastoma multiforme (GBM) and neural stem cells, with key signalling pathways frequently dysregulated in GBM. One such pathway is EGFR/PI3K/Akt, which is down-regulated by peroxisome proliferator activated receptor gamma (PPARγ) agonists. We investigated the effect of electric fields on primary differentiated and glioma stem cell (GSCs) migration, finding opposing preferences for anodal and cathodal migration, respectively. We next sought to determine whether chemically disrupting Akt through PTEN upregulation with the PPARγ agonist, pioglitazone, would modulate electrotaxis of these cells. We found that directed cell migration was significantly inhibited with the addition of pioglitazone in both differentiated GBM and GSCs subtypes. Western blot analysis did not demonstrate any change in PPARγ expression with and without exposure to EF. In summary we demonstrate opposing EF responses in primary GBM differentiated cells and GSCs can be inhibited chemically by pioglitazone, implicating GBM EF modulation as a potential target in preventing tumour recurrence.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Redox Chemistry Mediated Control of Morphology and Properties in Electrically Conductive Coordination Polymers: Opportunities and Challenges

Coordination polymers (CPs) and metal–organic frameworks (MOFs) have attracted significant research interest in the past several decades due to their reticular structures and modularity. However, realizing electrically conductive CPs or MOFs with comparable properties to classic conducting organic polymers has only been a recent development. This emerging class of materials has found wide appli-cation in many fields due to combined features of structural rigidity, chemical tunability, porosity, and charge transport. Alongside many studies revealing myriad design approaches to access these materials, the role that redox chemistry plays in both material synthesis and modulation of electronic properties has been an emerging theme. This perspective provides a brief overview of select examples where redox chemistry medi-ates control of morphology and properties in electrically conductive CPs/MOFs. Here, the challenges and limitations in this area are also discussed. Particular challenges include the characterization of redox states in these materials and measuring and understanding highly correlated elec-tronic properties and other unusual physical phenomena which may be important for potential applications.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Hybrid Grid-Renewable Strategies for Green Steel Production under Electricity Market Uncertainty

Volatility in grid spot prices is expected to rise with climate change-driven demand pressures and the intermittency of renewable generation. This volatility poses financial risks for green hydrogen-based steel production. The Direct Reduced Iron− Electric Arc Furnace (H 2 -DRI-EAF) is a promising pathway to decarbonize steel, which accounts for ∼8% of global GHG emissions. This study assesses how increased grid spot price volatility influences the optimal sizing and operation of H2-DRIEAF plants under three operational scenarios: grid-connected, fully behind-the-meter (islanded), and mixed-mode (semi-islanded). Our analysis identifies the semi-islanded configuration as the most cost-effective solution, achieving a Levelized Cost of Steel (LCOS) 10−35% lower than sourcing energy solely from the grid. Modeling also shows hydrogen storage or selective electricity purchases at high prices (>$1000/MWh) generally outperform battery storage, except under extreme volatility. Additionally, the study explores cost reduction strategies to strengthen the economic viability and sustainability of green steel production.

Batteries↗
DOE OSTI2024

Readout of Oriented Triplet Excitons in Linear Acenes via Room-Temperature Electrically Detected Magnetic Resonance

In this study, optically generated molecular spin centers offer an attractive platform for room-temperature spintronic and quantum applications. The linear acene family of molecules are especially good candidates due to their efficient generation of highly polarized triplet excitons via singlet fission. However, the direct detection and manipulation of these spin centers in thin films via the electrical means desirable for ultimate microelectronic devices has proven challenging. In particular, highly oriented triplet features have previously been detected in crystalline anthracene but longer acenes reveal only doublet features in Electrically-Detected Magnetic Resonance (EDMR). In this work we present EDMR spectra of highly oriented triplet excitons in pentacene for the first time, using a host-guest style device made of tetracene and pentacene. The guest acts as an energetic trap site, permitting the isolation and detection of molecular triplets at room temperature. Modeling of these results shows that the observed resonance features correspond to triplet sublevel transitions on isolated pentacene guest molecules. Rotation of the applied field confirms the tendency of the linear acenes to self-orient with the longest molecular axis perpendicular to the device substrate. Lastly, we find the disappearance of resonant triplet features in the neat acenes is not primarily due to the effects of exciton delocalization, but a broader mechanism of spin relaxation primarily influenced by exciton diffusivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Large Electrically and Chemically Tunable Rashba–Dresselhaus Effects in Ferroelectric CsGeX 3 (X = Cl, Br, I) Perovskites

Rashba–Dresselhaus effects, which originate from spin–orbit coupling and allow for spin manipulations, are actively explored in materials, following the pursuit of spintronics and quantum computing. However, materials that possess practically significant Rashba–Dresselhaus effects often contain toxic elements and offer little opportunity for the tunability of the effects. We used first-principles simulations to reveal that the recently discovered halide ferroelectrics in the CsGeX 3 (X = Cl, Br, I) family possess large and tunable Rashba-Dresselhaus effects. In particular, they give origin to the spin splitting of up to 171 meV in the valence band of CsGeI 3 . The value is chemically tunable and can decrease by 25% and 70% for CsGeBr 3 and CsGeCl 3 , respectively. Such chemical tunability could result in the engineering of desired values through a solid solution technique. Application of an electric field was found to result in structural changes that could decrease and increase spin splitting, leading to electrical tunability of the effect. In the vicinity of conduction and valence band extrema, the spin textures are mostly of the Rashba type, which is promising for spin-to-charge conversion applications. The spin directions are coupled with the polarization direction, leading to Rashba-ferroelectricity cofunctionality. Furthermore, our work identifies lead-free perovskite halides as excellent candidates for spin-based applications and is likely to stimulate further research in this direction.

Electric fields↗
DOE OSTI2024

Electric-Field-Driven Localization of Molecular Nanowires in Wafer-Scale Nanogap Electrodes

As integrated circuits continue to scale toward the atomic limit, bottom-up processes, such as epitaxial growth, have come to feature prominently in their fabrication. At the same time, chemistry has developed highly tunable molecular semiconductors that can perform the functions of ultimately scaled circuit components. Hybrid techniques that integrate programmable structures comprising molecular components into devices however are sorely lacking. Here we demonstrate a wafer-scale process that directs the localization of a conductive polymer, M w = 20 kg mol –1 polyaniline, from dilute solutions into 50 nm vertical nanogap device architectures using electric-field-driven self-assembly. The resulting metal–polymer–metal junctions were characterized by electron microscopy, Raman spectroscopy and transport measurements demonstrating that our technique is highly selective, assembling conductive polymers only in electrically activated nanogaps. Our results represent a step toward scalable hybrid nanoelectronics that seamlessly integrate established lithographic top-down fabrication with bottom-up synthesized molecular functional circuit components.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Electrical Detection of Single-Domain Néel Vector Reorientation across the Spin–Flop Transition in Cr 2 O 3 Crystals

Electrical transport measurements in heterostructures of antiferromagnetic Cr 2 O 3 bulk crystals and a thin Pt layer exhibit sharp responses as the Néel vector of Cr 2 O 3 undergoes the spin−flop transition. This abrupt change can arise from several distinct mechanisms including magnetostriction, proximity-induced anomalous Hall, spin Hall anomalous Hall, and spin Hall planar Hall effects. While large Pt devices sensing multiple up/ down domains can produce indistinguishable Hall signal jumps due to different initial Néel vector orientations, smaller Pt devices that sense single domains isolate the proximity-induced Hall signals. This allows direct electrical detection of Néel vector reorientation across the spin−flop transition in single-domain regions. Furthermore, the single-domain state can be prepared by magnetic field cooling or magnetoelectric cooling. We demonstrate a method to control and characterize the three-dimensional orientation of single-domain Néel vectors by exploiting Hall measurements and cooling techniques, crucial for future antiferromagnetic spintronic applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Enhancing the Electrode Gravimetric Capacity of Li 1.2 Mn 0.4 Ti 0.4 O 2 Cathode Using Interfacial Carbon Deposition and Carbon Nanotube-Mediated Electrical Percolation

Mn-based cation disordered rocksalt oxides (Mn-DRX) are emerging as promising cathode materials for next-generation Li-ion batteries due to their high specific capacities and cobalt and nickel free characteristic. However, to reach the theoretical capacity, solid-state method synthesized Mn-DRX materials require activation via post-synthetic ball milling, typically incorporating more than 20 wt.% conductive carbon that adversely reduces the electrode level gravimetric capacity. To solve this issue, we firstly deposit amorphous carbon on the surface of the Li 1.2 Mn 0.4 Ti 0.4 O 2 (LMTO) particles to increase the electrical conductivity by a five order of magnitude. Although the cathode material gravimetric first charge capacity reaches 180 mAh/g, its highly irreversible behavior leads to a 70 mAh/g first discharge capacity. Subsequently, to ensure a good electrical percolation network, the LMTO material is ball milled with multi-wall carbon nanotube (CNT) to obtain a 78.7 wt.% LMTO active material loading in the cathode electrode (LMTO-CNT). As a result, a 210 mAh/g cathode electrode gravimetric first charge and 165 mAh/g first discharge capacity are obtained, compared to the respective capacity values of 222 mAh/g and 155 mAh/g for the LMTO ball milled with 20 wt.% SuperP C65 electrode (LMTO-SP). After 50 cycles, the LMTO-CNT delivers a 121 mAh/g electrode gravimetric discharge capacity, largely outperforming the 44 mAh/g value of the LMTO-SP. In conclusion, our study demonstrates that while ball milling is necessary to achieve the theoretical capacity of LMTO, a careful selection of the additive, such as CNT, effectively reduces the required carbon quantity to achieve a higher electrode gravimetric discharge capacity.

25 ENERGY STORAGE↗
DOE OSTI2026

Group-Additivity–Embedded Multiscale Modeling for Electric Field-Enhanced Nanocatalysis

Elucidating structure-performance relationships remains a central challenge in field-enhanced catalysis, where nanoparticles exhibit nonuniform surface sites with site-dependent responses to electric fields. Low-coordination sites (edges, corners, and tips) are particularly electric field-sensitive (EF), leading to nonuniform charge distribution, adsorption energies, and catalytic activity. Here, using ammonia decomposition on a ruthenium cluster as a model system, we develop a transferable multiscale framework integrating density functional theory, group additivity (GA), Brønsted-Evans-Polanyi scaling, and microkinetic modeling to predict EF-dependent activity across nonuniform cluster sites. Across sites and fields, the nitrogen adsorption energy (E N ) emerges as the governing descriptor, yielding robust volcano relationships whose optimum shifts systematically with field: negative fields strengthen N binding via electron accumulation, while positive fields weaken N binding via charge depletion, moving the optimal E N toward weaker binding. Microkinetic analysis shows that N≡N bond formation remains the key kinetic bottleneck over most conditions; positive fields lower the effective barrier and, critically, increase the fraction of near-optimal active sites, leading to a net enhancement in overall activity relative to zero-field and negative-field cases. By capturing EF- and site-dependent energetics with high accuracy and low computational cost, this GA-embedded multi-scale simulation workflow provides a physically interpretable route to predict and design field-enhanced nanocatalysis.

ammonia decomposition↗
DOE OSTI2025

Simultaneous Heat and Electricity Storage in a Flow Battery System

This study investigates the dual-storage capability of a redox flow battery (RFB) system, enabling simultaneous storage of heat and electricity within a single platform. Through electrochemical and thermal experiments, we evaluated how heat storage affects battery performance and vice versa using a counterflow heat exchanger integrated in a conventional RFB configuration. The results show that incorporating heat storage had a minimal impact on the electrochemical charging and discharging processes. Further, the heat discharge operated independently of electrochemical storage, confirming that both functions can coexist without interference. The combined system also enhanced overall energy conversion efficiency, demonstrating its potential as an efficient solution for supplying both thermal and electrical energythe two most widely used energy forms.

Electrical energy↗
DOE OSTI2022

Protein Electric Fields Enable Faster and Longer-Lasting Covalent Inhibition of β-Lactamases

The widespread design of covalent drugs has focused on crafting reactive groups of proper electrophilicity and positioning towards targeted amino-acid nucleophiles. In this work, we found that environmental electric fields projected onto a reactive chemical bond, an overlooked design element, play essential roles in the covalent inhibition of TEM-1 beta-lactamase by avibactam. Using the vibrational Stark effect, the magnitudes of the electric fields that are exerted by TEM active sites onto avibactam’s reactive C=O were measured and demonstrate an electrostatic gating effect that promotes bond formation yet relatively suppresses the reverse dissociation. These results suggest new principles of covalent drug design and off-target site prediction. Unlike shape and electrostatic complementary which address binding constants, electrostatic catalysis drives reaction rates, essential for covalent inhibition, and deepens our understanding of chemical reactivity, selectivity, and stability in complex systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

Analysis of Electric and Magnetic Lightning-Generated Wave Amplitudes Measured by the Van Allen Probes

Herein we provide a statistical analysis of both electric and magnetic field wave amplitudes of very low frequency lightning-generated waves (LGWs) based on the equivalent of 11.5 years of observations made by the Van Allen Probes encompassing ~24.6 × 10 6 survey mode measurements. We complement this analysis with data from the ground-based World Wide Lightning Location Network to explore differences between satellite and ground-based measurements. LGW mean amplitudes are found to be low compared with other whistler mode waves (1 ± 1.6 pT and 19 ± 59 μV/m). Extreme events (1/5,000) can reach 100 pT and contributes strongly to the mean power below $L$ = 2. We find excellent correlations between World Wide Lightning Location Network-based power and wave amplitudes in space at various longitudes. We reveal strong dayside ionospheric damping of the LGW electric field. LGW amplitudes drop for $L$ < 2, contrary to the Earth's intense equatorial lightning activity. We conclude that it is difficult for equatorial LGW to propagate and remain at $L$ < 2.

Electric wave power↗
DOE OSTI2020

Laboratory Electrical Conductivity of Marine Gas Hydrate

Methane hydrate was synthesized from pure water ice and flash frozen seawater, with varying amounts of sand or silt added. Electrical conductivity was determined by impedance spectroscopy, using equivalent circuit modeling to separate the effects of electrodes and to gain insight into conduction mechanisms. Silt and sand increase the conductivity of pure hydrate; we infer by contaminant NaCl contributing to conduction in hydrate, to values in agreement with resistivities observed in well logs through hydrate–saturated sediment. The addition of silt and sand lowers the conductivity of hydrate synthesized from seawater by an amount consistent with Archie's law. Here, all samples were characterized using cryogenic scanning electron microscopy and energy dispersive spectroscopy, which show good connectivity of salt and brine phases. Electrical conductivity measurements of pure hydrate and hydrate mixed with silt during pressure–induced dissociation support previous conclusions that sediment increases dissociation rate.

58 GEOSCIENCES↗
DOE OSTI2021

Reanalysis of Water Withdrawal for Irrigation, Electric Power, and Public Supply Sectors in the Conterminous United States, 1950–2016

Accurately measuring water use by the economy is essential for developing reliable models of water resource availability. Indeed, these models rely on retrospective analyses that provide insights into shifting human population demands and adaptions to water shortages. However, accurate, methodologically consistent, empirically authentic, and spatiotemporally comprehensive historical datasets for water withdrawals are scarce. Herein, we present a reanalysis of annual resolution (1950–2016) historical data set on irrigation, electric power, and public supply water withdrawal within the conterminous United States (US) at the county-level, and, for power plants, at the site-level. To estimate electric power water use, we synthesized a historically comprehensive list of generators and historic patterns in generation across fuels, prime movers, and cooling technologies. Irrigation water use estimation required building a crop-demand model that utilized historical information on irrigated acreage for crops and golf courses, stage-specific crop water demand, and climate information. To estimate public water supply use, we developed a random forest model constructed from information on population, infrastructure, climate, and land cover. These estimates generally agree with total county and state water use information provided by the US Geological Survey (USGS) water use circular and estimates generated from independent studies for specific years. However, we also observed discrepancies between our estimates and USGS data that appear to be caused by inconsistencies in the methods used by the USGS's primary data sources at the state level over decades of data collection, highlighting the importance of reanalysis to yield spatiotemporally consistent and intercomparable estimates of water use.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2021

Heavy-Duty Truck Electrification and the Impacts of Depot Charging on Electricity Distribution Systems

Major technological advancements and recent policy support are improving the outlook for heavy-duty truck electrification in the United States. In particular, short-haul operations (=200 miles (=322 km)) are prevalent and early candidates for plug-in electric vehicles (EVs) given their short, predictable routes and return-to-base applications, which allows vehicles to recharge when off shift at their depots. Although previous studies investigated the impacts of added electrical loads on distribution systems, which included light-duty EVs, the implications for heavy-duty EV charging are underexplored. Here we summarize the causes, costs and lead times of distribution system upgrades anticipated for depot charging. We also developed synthetic depot charging load profiles for heavy-duty trucks from real-world operating schedules, and found that charging requirements are met at common light-duty EV charging rates (=100 kW per vehicle). Finally, we applied depot charging load profiles to 36 distribution real-world substations, which showed that most can accommodate high levels of heavy-duty EV charging without upgrades.

47 OTHER INSTRUMENTATION↗