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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Geoelectric Characterization of Hyporheic Exchange Flow in the Bedrock‐Lined Streambed of East Fork Poplar Creek, Oak Ridge, Tennessee

Abstract A multimethod geoelectric survey was implemented between January and March 2022 along a 220‐m long reach of the bedrock‐lined streambed of East Fork Poplar Creek in Oak Ridge, Tennessee to identify locations of surface‐water and groundwater exchange and characterize the subsurface flow paths that convey water between the stream and flood plain. A waterborne self‐potential (WaSP) survey was completed in January 2022 to measure the electric streaming‐potential field in the stream. Electric resistivity tomography (ERT) was performed in March 2022 on the flood plain adjacent to the WaSP survey reach to map the electric resistivity distribution and characterize the hydrogeology and subsurface flow paths that facilitate surface‐water and groundwater exchange in the bedrock‐lined stream. The combination of WaSP and ERT data support the qualitative interpretation that surface‐water and groundwater exchange likely occurs along fractures in outcropping bedrock and along two fault lines that intersect the limestone creek bed.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Can Glacial Sea‐Level Drop‐Induced Gas Hydrate Dissociation Cause Submarine Landslides?

Abstract We conducted two‐dimensional numerical simulations to investigate the mechanisms underlying the strong spatiotemporal correlation observed between submarine landslides and gas hydrate dissociation due to glacial sea‐level drops. Our results suggest that potential plastic deformation or slip could occur at localized and small scales in the shallow‐water portion of the gas hydrate stability zone (GHSZ). This shallow‐water portion of the GHSZ typically lies within the area enclosed by three points: the BGHSZ–seafloor intersection, the seafloor at ∼600 m below sea level (mbsl), and the base of the GHSZ (BGHSZ) at ∼1,050 mbsl in low‐latitude regions. The deep BGHSZ (>1,050 mbsl) could not slip; therefore, the entire BGHSZ was not a complete slip surface. Glacial hydrate dissociation alone is unlikely to cause large‐scale submarine landslides. Observed deep‐water (much greater than 600 mbsl) turbidites containing geochemical evidence of glacial hydrate dissociation potentially formed from erosion or detachment in the GHSZ pinch‐out zone.

58 GEOSCIENCES↗
DOE OSTI2024

Thermoelastic Properties of Fe 3+ ‐Rich Jeffbenite and Application to Superdeep Diamond Barometry

Abstract Jeffbenite (Mg 3 Al 2 Si 3 O 12 ) is a tetragonal phase found in so far only in superdeep diamonds, and its thermoelastic parameters are a prerequisite for determining entrapment pressures as it is regarded as a potential indicator for superdeep diamonds. In this study, the thermoelastic properties of synthetic Fe 3+ ‐jeffbenite were measured up to 33.7 GPa and 750 K. High‐temperature static compression data were fitted, giving ( ∂K T 0 / ∂ T ) P = −0.0107 (4) GPa/K and α T = 3.50 (3) × 10 −5 K −1 . The thermoelastic properties and phase stability are applied to modeling isomekes, or P‐T paths intersecting possible conditions of entrapment in diamond. We calculate that under ideal exhumation, jeffbenite entrapped at mantle transition zone conditions will exhibit a high remnant pressure at 300 K ( P inc ) of ∼5.0 GPa. Elastic geobarometry on future finds of jeffbenite inclusions can use the new equation of state to estimate entrapment pressures for this phase with still highly uncertain stability field in the mantle.

Geology↗
DOE OSTI2024

Fracture Characterization Via AI‐Assisted Analysis of Temperature Logs

Abstract Fractures control fluid flow, mass transport, and heat transfer in a geothermal reservoir. This makes accurate characterization of fracture networks a prerequisite for optimal design and control of a reservoir's exploitation. We develop a deep‐learning procedure to identify fracture locations via interpretation of temporally and spatially continuous downhole temperature measurements. A long short‐term memory fully convolutional network (LSTM‐FCN) is used both to capture long‐term dependencies in sequential temperature data and to distill local features around fractures. A wellbore and fractured‐reservoir thermal model is established to generate temperature data for network training. The trained LSTM‐FCN exhibits a unique ability to detect multiple fractures intersecting a borehole. We use the LSTM‐FCN algorithm to evaluate the effectiveness of different‐stage wellbore temperature measurements on fracture detection in a complex fractured system. Our experiments reveal that the use of various‐stage temperature information as an input feature set improves the robustness of fracture detection to noise interference. This study indicates the practical feasibility of obtaining accurate fracture‐network reconstructions from temperature signals, at reasonable computational cost.

Yang, Xiaoyu↗
DOE OSTI2024

Self‐Potential Tomography Preconditioned by Particle Swarm Optimization—Application to Monitoring Hyporheic Exchange in a Bedrock River

Abstract A self‐potential (SP) data‐inversion algorithm was developed and tested on an analytical model of electrical‐potential profile data attributed to single and multiple polarized electrical sources. The developed algorithm was then validated by an application to SP‐monitoring field data measured on the floodplain of East Fork Poplar Creek, Oak Ridge, Tennessee, to image electrical sources in areas conducive to preferential flow into the flood plain from the bedrock‐lined riverbed. The algorithm combined stochastic source‐localization by particle‐swarm‐optimization (PSO) of electrical sources characterized by simplified geometries with source tomography by regularized weighted least‐squares minimization of a quadratic objective function. Prior information was incorporated by preconditioning the tomography algorithm by PSO results. Variable percentages of random noise were added to analytical‐model data to evaluate the algorithm performance. Results indicated that true parameters of single‐source models were inverted and approximated with small residual error, whereas inversion of analytical‐model data representing multiple electrical sources accurately approximated the locations of the sources but miscalculated some parameters because of the non‐uniqueness of the inverse‐model solution. Source tomography applied to analytical model data during testing produced a spatially continuous parameter field that identified the locations of point‐scale synthetic dipole sources of electrical current flow with varying degrees of accuracy depending on the prior information incorporated into the tomography. When applied to SP‐monitoring field data, the algorithm imaged electrical sources within a known fault that intersects the bedrock riverbed and flood plain of East Fork Poplar Creek and depicted dynamic electrical conditions attributed to hyporheic exchange.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

Cutoff and Emergence of Dart Leaders in an Unbranched Positive Leader Simulation

Channel cutoff is the process by which an active lightning channel cools down, goes dark, and loses its ability to effectively conduct electricity. Current cutoff precedes several lightning phenomena, notably dart leaders and return strokes, but the process by which a hot, highly‐conducting leader channel can undergo current cutoff is poorly understood. In this work, we present self‐consistent simulations of positive leader propagation, which include coupled treatment of electrodynamics and plasma physics. The unstable positive leader spontaneously undergoes channel cutoff and creates the conditions for the emission of dart leaders, that is, it accumulates a packet of negative charge at the intersection between cutoff and conducting channel segments. A residual conductivity in the cutoff section facilitates the conversion of the electric field enhancement into a traveling wave, which retraces and reionizes the channel. This is critical for allowing the frail positive leader to keep propagating.

58 GEOSCIENCES↗
DOE OSTI2021

Defect-driven selective metal oxidation at atomic scale

Nanoscale materials modified by crystal defects exhibit significantly different behaviours upon chemical reactions such as oxidation, catalysis, lithiation and epitaxial growth. However, unveiling the exact defect-controlled reaction dynamics (e.g. oxidation) at atomic scale remains a challenge for applications. Here, using in situ high-resolution transmission electron microscopy and first-principles calculations, we reveal the dynamics of a general site-selective oxidation behaviour in nanotwinned silver and palladium driven by individual stacking-faults and twin boundaries. The coherent planar defects crossing the surface exhibit the highest oxygen binding energies, leading to preferential nucleation of oxides at these intersections. Planar-fault mediated diffusion of oxygen atoms is shown to catalyse subsequent layer-by-layer inward oxide growth via atomic steps migrating on the oxide-metal interface. These findings provide an atomistic visualization of the complex reaction dynamics controlled by planar defects in metallic nanostructures, which could enable the modification of physiochemical performances in nanomaterials through defect engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Anisotropic magnon damping by zero-temperature quantum fluctuations in ferromagnetic CrGeTe 3

Spin and lattice are two fundamental degrees of freedom in a solid, and their fluctuations about the equilibrium values in a magnetic ordered crystalline lattice form quasiparticles termed magnons (spin waves) and phonons (lattice waves), respectively. In most materials with strong spin-lattice coupling (SLC), the interaction of spin and lattice induces energy gaps in the spin wave dispersion at the nominal intersections of magnon and phonon modes. Here we use neutron scattering to show that in the two-dimensional (2D) van der Waals honeycomb lattice ferromagnetic CrGeTe 3 , spin waves propagating within the 2D plane exhibit an anomalous dispersion, damping, and breakdown of quasiparticle conservation, while magnons along the c axis behave as expected for a local moment ferromagnet. These results indicate the presence of dynamical SLC arising from the zero-temperature quantum fluctuations in CrGeTe 3 , suggesting that the observed in-plane spin waves are mixed spin and lattice quasiparticles fundamentally different from pure magnons and phonons.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Inequalities in global residential cooling energy use to 2050

Intersecting socio-demographic transformations and warming climates portend increasing worldwide heat exposures and health sequelae. Cooling adaptation via air conditioning (AC) is effective, but energy-intensive and constrained by household-level differences in income and adaptive capacity. Using statistical models trained on a large multi-country household survey dataset (n = 673,215), we project AC adoption and energy use to mid-century at fine spatial resolution worldwide. Globally, the share of households with residential AC could grow from 27% to 41% (range of scenarios assessed: 33-48%), implying up to a doubling of residential cooling electricity consumption, from 1220 to 1940 (scenarios range: 1590-2377) terawatt-hours yr. –1 , emitting between 590 and 1,365 million tons of carbon dioxide equivalent (MtCO 2 e). AC access and utilization will remain highly unequal within and across countries and income groups, with significant regressive impacts. Up to 4 billion people may lack air-conditioning in 2050. Our global gridded projections facilitate incorporation of AC’s vulnerability, health, and decarbonization effects into integrated assessments of climate change.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
DOE OSTI2026

Cracking the code of multi-layer films to promote circularity in single-use plastic packaging

Multi-layer film packaging (MLF) revolutionized food preservation by combining diverse material layers to optimize barrier properties, mechanical strength, and shelf-life. These materials are essential for transporting perishables across various climates and allow for access to fresh goods in “food deserts”, but they pose significant recycling challenges due to their structural complexity. This perspective examines key structure-property relationships governing barrier performance and highlights innovations in material design. We explore how machine learning can predict performance metrics and propose recyclable alternatives, integrating data-driven approaches with material science insights. By challenging the status quo of MLF design, we advocate for circularity in food packaging, inspiring innovation at the intersection of sustainability, material science, and artificial intelligence.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Transversely pumped laser driven particle accelerator

We present a novel acceleration scheme capable of accelerating electrons and ions in an underdense plasma. Transversely Pumped Acceleration (TPA) uses multiple arrays of counter-propagating laser beamlets that focus onto a central acceleration axis. Tuning the injection timing and the spacing between the adjacent beamlets allows for precise control over the position and velocity of the intersection point of the counter-propagating beam arrays. This results in an accelerating structure that propagates orthogonal to the direction of laser propagation. We present the theory that sets the injection timing of the incoming pulses to accelerate electrons and ions with a tunable phase velocity plasma wave. Simulation results are also presented which demonstrate 1.12 GeV proton beams accelerated in 3.6 mm of plasma and electron acceleration gradients on the order of 1 TeV/m in a scheme that circumvents dephasing. This work has potential applications as a compact accelerator for medical physics and high energy physics colliders.

Laser-produced plasmas↗
DOE OSTI2023

Optical control of ultrafast structural dynamics in a fluorescent protein

The photoisomerization reaction of a fluorescent protein chromophore occurs on the ultrafast timescale. The structural dynamics that result from femtosecond optical excitation have contributions from vibrational and electronic processes and from reaction dynamics that involve the crossing through a conical intersection. The creation and progression of the ultrafast structural dynamics strongly depends on optical and molecular parameters. When using X-ray crystallography as a probe of ultrafast dynamics, the origin of the observed nuclear motions is not known. Now, high-resolution pump–probe X-ray crystallography reveals complex sub-ångström, ultrafast motions and hydrogen-bonding rearrangements in the active site of a fluorescent protein. However, we demonstrate that the measured motions are not part of the photoisomerization reaction but instead arise from impulsively driven coherent vibrational processes in the electronic ground state. A coherent-control experiment using a two-colour and two-pulse optical excitation strongly amplifies the X-ray crystallographic difference density, while it fully depletes the photoisomerization process. A coherent control mechanism was tested and confirmed the wave packets assignment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Tailoring planar slip to achieve pure metal-like ductility in body-centred-cubic multi-principal element alloys

Uniform tensile ductility (UTD) is crucial for the forming/machining capabilities of structural materials. Normally, planar-slip induced narrow deformation bands localize the plastic strains and hence hamper UTD, particularly in body-centred-cubic (bcc) multi-principal element high-entropy alloys (HEAs), which generally exhibit early necking (UTD < 5%). Here we demonstrate a strategy to tailor the planar-slip bands in a Ti-Zr-V-Nb-Al bcc HEA, achieving a 25% UTD together with nearly 50% elongation-to-failure (approaching a ductile elemental metal), while offering gigapascal yield strength. The HEA composition is designed not only to enhance the B2-like local chemical order (LCO), seeding sites to disperse planar slip, but also to generate excess lattice distortion upon deformation-induced LCO destruction, which promotes elastic strains and dislocation debris to cause dynamic hardening. Further, this encourages second-generation planar-slip bands to branch out from first-generation bands, effectively spreading the plastic flow to permeate the sample volume. Moreover, the profuse bands frequently intersect to sustain adequate work-hardening rate (WHR) to large strains. Our strategy showcases the tuning of plastic flow dynamics that turns an otherwise-undesirable deformation mode to our advantage, enabling an unusual synergy of yield strength and UTD for bcc HEAs.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Frustrated electron hopping from the orbital configuration in a two-dimensional lattice

Electron hopping on spatially periodic lattices gives rise to intriguing electronic behaviour. For example, hopping on the geometrically frustrated two-dimensional kagome, dice and Lieb lattices yields electronic band structures with both massless Dirac-like and perfectly dispersion-less, flat bands. As materials featuring the dice and Lieb lattice structures are scarce, an alternative approach proposes to leverage atomic orbitals to realize the characteristic electron hopping of geometrically frustrated lattices. This strategy promises to expand the list of candidate materials with frustrated electron hopping, but is yet to be shown in experiments. Here, in this study, we demonstrate frustrated hopping in the van der Waals intermetallic Pd 5 AlI 2 , emerging from the arrangement of atomic orbitals in a primitive square lattice. Using angle-resolved photoemission spectroscopy and quantum oscillation measurements, we reveal that the band structure of Pd 5 AlI 2 includes linear Dirac-like bands intersected at their crossing point by a locally flat band—an essential characteristic of frustrated hopping in Lieb and dice lattices. Moreover, this compound shows exceptional chemical stability, with its unusual bulk band structure and metallicity persisting in ambient conditions down to the monolayer limit. Hence, our results showcase a way to realize electronic structures characteristic of geometrically frustrated lattices in non-frustrated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Spin–vibronic coherence drives singlet–triplet conversion

Design-specific control over the transitions between excited electronic states with different spin multiplicities is of the utmost importance in molecular and materials chemistry. Previous studies have indicated that the combination of spin-orbit and vibronic effects, collectively termed the spin-vibronic effect, can accelerate quantum-mechanically forbidden transitions at non-adiabatic crossings. However, it has been difficult to identify precise experimental manifestations of the spin-vibronic mechanism. Here we present coherence spectroscopy experiments that reveal the interplay between the spin, electronic and vibrational degrees of freedom that drive efficient singlet-triplet conversion in four structurally related dinuclear Pt(II) metal-metal-to-ligand charge-transfer (MMLCT) complexes. Photoexcitation activates the formation of a Pt-Pt bond, launching a stretching vibrational wavepacket. The molecular-structure-dependent decoherence and recoherence dynamics of this wavepacket resolve the spin-vibronic mechanism. Further, we find that vectorial motion along the Pt-Pt stretching coordinates tunes the singlet and intermediate-state energy gap irreversibly towards the conical intersection and subsequently drives formation of the lowest stable triplet state in a ratcheting fashion. This work demonstrates the viability of using vibronic coherences as probes to clarify the interplay among spin, electronic and nuclear dynamics in spin-conversion processes, and this could inspire new modular designs to tailor the properties of excited states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Development of an autonomous solvent extraction system to isolate astatine-211 from dissolved cyclotron bombarded bismuth targets

Abstract Cyclotron-produced astatine-211 ( 211 At) shows tremendous promise in targeted alpha therapy (TAT) applications due to its attractive half-life and its 100% α-emission from nearly simultaneous branched alpha decay. Astatine-211 is produced by alpha beam bombardment of naturally monoisotopic bismuth metal ( 209 Bi) via the ( α, 2n ) reaction. In order to isolate the small mass of 211 At (specific activity = 76 GBq·µg −1 ) from several grams of acid-dissolved Bi metal, a manual milliliter-scale solvent extraction process using diisopropyl ether (DIPE) is routinely performed at the University of Washington. As this process is complex and time consuming, we have developed a fluidic workstation that can perform the method autonomously. The workstation employs two pumps to concurrently deliver the aqueous and organic phases to a mixing tee and in-line phase mixer. The mixed phases are routed to a phase settling reservoir, where they gravity settle. Finally, each respective phase is withdrawn into its respective pump. However, development of a phase boundary sensor, placed in tandem with the phase settling reservoir, was necessary to communicate to the system when withdrawal of the denser aqueous phase was complete (i.e., the intersection of the two phases was located). The development and optimization of the autonomous solvent extraction system is described, and the 211 At yields from several ~1.1 GBq-level 211 At processing runs are reported.

211At↗
DOE OSTI2020

Fermi-crossing Type-II Dirac fermions and topological surface states in NiTe 2

Transition-metal dichalcogenides (TMDs) offer an ideal platform to experimentally realize Dirac fermions. However, typically these exotic quasiparticles are located far away from the Fermi level, limiting the contribution of Dirac-like carriers to the transport properties. Here we show that NiTe 2 hosts both bulk Type-II Dirac points and topological surface states. The underlying mechanism is shared with other TMDs and based on the generic topological character of the Te p-orbital manifold. However, unique to NiTe 2 , a significant contribution of Ni d orbital states shifts the energy of the Type-II Dirac point close to the Fermi level. In addition, one of the topological surface states intersects the Fermi energy and exhibits a remarkably large spin splitting of 120 meV. Our results establish NiTe 2 as an exciting candidate for next-generation spintronics devices.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Spin-polarized imaging of the antiferromagnetic structure and field-tunable bound states in kagome magnet FeSn

Abstract Kagome metals are an exciting playground for the explorations of novel phenomena at the intersection of topology, electron correlations and magnetism. The family of FeSn-based kagome magnets in particular attracted a lot of attention for simplicity of the layered crystal structure and tunable topological electronic band structure. Despite a significant progress in understanding their bulk properties, surface electronic and magnetic structures are yet to be fully explored in many of these systems. In this work, we focus on a prototypical kagome metal FeSn. Using a combination of spin-averaged and spin-polarized scanning tunneling microscopy, we provide the first atomic-scale visualization of the layered antiferromagnetic structure at the surface of FeSn. In contrast to the field-tunable electronic structure of cousin material Fe 3 Sn 2 that is a ferromagnet, we find that electronic density-of-states of FeSn is robust to the application of external magnetic field. Interestingly, despite the field insensitive electronic band structure, FeSn exhibits bound states tied to specific impurities with large effective moments that strongly couple to the magnetic field. Our experiments provide microscopic insights necessary for theoretical modeling of FeSn and serve as a spring board for spin-polarized measurements of topological magnets in general.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗