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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 109 records · Page 6
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Resonant double-core excitations with ultrafast, intense X-ray pulses

Intense few-to-sub-femtosecond soft X-ray pulses can produce neutral, two-site excited double-core-hole states by promoting two core electrons to the same unoccupied molecular orbital. We theoretically investigate double nitrogen K-edge excitations of nitrous oxide (N$_2$O) with multiconfigurational electronic structure calculations. We show that the second core-excitation energy is reduced with respect to its ground state value. A site-selective double core-excitation mechanism using intense few-femtosecond x-rays is investigated using time-dependent Schrodinger equation (TDSE) simulations. The subsequent two-step Auger-Meitner and two-electrons-one-electron decay spectra of the double core-excited states are analysed using a Mulliken population analysis of the multiconfirational wavefunctions. The change in the electron emission lineshape between the absorption of 1 or 2 photons in the resonant core-excitation is predicted by combining this approach with the TDSE simulations. Furthermore, we examine the possibility of resolving the double core-excited states with X-ray pump-probe techniques by calculating the chemical shifts of the core-electron binding energy of the core-excited states and decay products.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Stochastic Optimization to Find Optimum Beginning-of-Life Core Configuration of Stable Salt Reactor with Online Refueling

A stochastic optimization method has been developed to find an optimum equilibrium cycle core configuration of the waste-burning stable salt reactor, which is a fast-spectrum molten salt reactor with frequent online refueling. An optimum core configuration was determined with the goal of minimizing radial power peaking. Because of the vast number of potential candidate core configurations, stochastic optimization was applied based on simulated annealing and an additional acceleration method, which screened out unpromising core configurations. It has been demonstrated that the developed stochastic optimization method successfully finds the optimal core configuration regardless of the initial guess and outperforms the gradient descent approach. In addition, it has been observed that the use of a so-called out-in core configuration as the initial guess speeds up convergence of the iterative solution more than five times. Based on the searched optimum equilibrium cycle core configuration, new beginning-of-life (BOL) core configurations have been developed. In conclusion, the new BOL core configurations will be used in developing optimum refueling strategies.

Moltex static salt reactor↗
DOE OSTI2024

Heterogeneous mantle effects on the behavior of SmKS waves and outermost core imaging

Seismic traveltime anomalies of waves that traverse the uppermost 100–200 km of the outer core have been interpreted as evidence of reduced seismic velocities (relative to radial reference models) just below the core–mantle boundary (CMB). These studies typically investigate differential traveltimes of SmKS waves, which propagate as P waves through the shallowest outer core and reflect from the underside of the CMB m times. The use of SmKS and S(m-1)KS differential traveltimes for core imaging are often assumed to suppress contributions from earthquake location errors and unknown and unmodelled seismic velocity heterogeneity in the mantle. The goal of this study is to understand the extent to which differential SmKS traveltimes are, in fact, affected by anomalous mantle structure, potentially including both velocity heterogeneity and anisotropy. Velocity variations affect not only a wave's traveltime, but also the path of a wave, which can be observed in deviations of the wave's incoming direction. Since radial velocity variations in the outer core will only minimally affect the wave path, in contrast to other potential effects, measuring the incoming direction of SmKS waves provides an additional diagnostic as to the origin of traveltime anomalies. Here we use arrays of seismometers to measure traveltime and direction anomalies of SmKS waves that sample the uppermost outer core. We form subarrays of EarthScope's regional Transportable Array stations, thus measuring local variations in traveltime and direction. We observe systematic lateral variations in both traveltime and incoming wave direction, which cannot be explained by changes to the radial seismic velocity profile of the outer core. Moreover, we find a correlation between incoming wave direction and traveltime anomaly, suggesting that observed traveltime anomalies may be caused, at least in part, by changes to the wave path and not solely by perturbations in outer core velocity. Modelling of 1-D ray and 3-D wave propagation in global 3-D tomographic models of mantle velocity anomalies match the trend of the observed traveltime anomalies. Overall, we demonstrate that observed SmKS traveltime anomalies may have a significant contribution from 3-D mantle structure, and not solely from outer core structure.

58 GEOSCIENCES↗
DOE OSTI2020

Review of Tools for Modeling Core Radial Expansion in Liquid Metal-Cooled Fast Reactors

Core radial expansion in liquid-metal cooled fast reactor systems is a well-known phenomenon that produces strong reactivity feedback effects. It is crucial from a safety standpoint to design a reactor with the proper core restraint system to guide expansion of the fuel assemblies into a formation that produces negative reactivity feedback in accident conditions. However, the modeling of core radial expansion and its associated reactivity feedback is extremely challenging. Liquid metal-cooled fast reactor designers (both industry and commercial) have pointed to improved modeling of core radial expansion as a key modeling challenge for these types of reactors. The Department of Energy Nuclear Energy Advanced Modeling and Simulation (DOE-NEAMS) program has an important role to play in helping to develop a robust, predictive tool for this phenomenon. A literature review has been performed to identify current simulation capabilities applicable to the prediction of core radial expansion in liquid metal-cooled fast reactors and the resultant reactivity feedback effects. An overview as well as a detailed description of the multi-physics phenomena underlying core radial expansion is given in the first two chapters. The objective of this report is to identify existing software that has been or could be applied to the core radial expansion problem, and then to identify possible paths to develop a robust, coupled Multiphysics tool for advanced analysis, in which all three physics (radiation transport, structural mechanics, thermal fluids) are taken into account considering feedback effects from each physics to the other. Several computer codes and workflows have been developed in the United States and abroad to perform individual aspects of radial expansion calculations or to perform loosely coupled analysis. No code system currently exists which tightly and robustly couples the neutronics, thermal hydraulics, and thermal mechanical physics with enough detail to fully resolve the complex core radial expansion reactivity feedback effects. The future availability of such a code system is of vital importance to fully understanding the reactivity feedback effects that occur due to radial expansion, and consequently to optimizing the design of the core restraint system. A potential code development path forward using MOOSE-based tools is suggested in order to leverage the natural tight coupling and robustness of MOOSE-based applications. Additionally, potential gaps for modeling and common assumptions are listed which require further investigation to ensure accuracy for prediction of deformations.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

Assessment of MOOSE-Based Tools for Calculating Radial Core Expansion

Radial core expansion in liquid-metal cooled fast reactor systems is a well-known phenomenon that produces strong reactivity feedback effects. An inherently safe reactor design takes advantage of negative reactivity feedback in accident scenarios by utilizing a core restraint system which produces a bowed shape that allows for radial expansion of the fuel regions. Detailed modeling and simulation of core radial expansion itself as well as subsequent reactivity feedback is a challenging task involving contact of many fuel assembly elements and physics feedback from neutronics, thermal hydraulics, and thermal mechanical response. A variety of physics codes have been developed to model aspects of radial core expansion but in general invoke geometrical or physics approximations. No code system currently exists which tightly and robustly couples these physics with enough detail to fully resolve the complex core radial expansion reactivity feedback effects. The future availability of such a code system is of vital importance to fully understanding the reactivity feedback effects that occur due to radial expansion, and consequently to optimizing the design of the core restraint system. A high-fidelity code will also be used to benchmark existing lower fidelity, faster running models to understand their benefits, limitations, and range of applications. A code development path using MOOSE-based tools is proposed in order to leverage the detailed geometry capabilities and natural tight coupling and robustness of MOOSE-based applications for modeling this complex phenomena. While simulation of the full phenomenon involves several physics, an assessment has been initiated on the capabilities and readiness of the currently available Tensor Mechanics module within MOOSE for calculation of the structural mechanical responses which occur within the reactor core. This report focuses on modeling the force-deformation response which mimics the physics of a duct contact deformation, as well as differential thermal expansion which produces a thermal bowed shaped for the fuel assemblies in a core. Simple examples were initially performed such as simple supported beam bending under load. The complexity of examples was progressively increased to better mimic the duct behavior by including a differential thermal example and inclusion of hexagonal cross-sections in the geometry. Further assessment of the structural mechanical response simulation capability is still required for modeling duct contact interactions and irradiation creep and swelling. Companion thermal hydraulic and neutronics assessments will also be required; these activities are planned for future years. Finally, integration of the multiple physics components through MOOSE is required to predict the core radial expansion and subsequent feedback effects.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2024

Heterogeneous mantle effects on the behavior of SmKS waves and outermost core imaging

Seismic traveltime anomalies of waves that traverse the uppermost 100–200 km of the outer core have been interpreted as evidence of reduced seismic velocities (relative to radial reference models) just below the core–mantle boundary (CMB). These studies typically investigate differential traveltimes of SmKS waves, which propagate as P waves through the shallowest outer core and reflect from the underside of the CMB m times. The use of SmKS and S(m- 1)KS differential traveltimes for core imaging are often assumed to suppress contributions from earthquake location errors and unknown and unmodelled seismic velocity heterogeneity in the mantle. The goal of this study is to understand the extent to which differential SmKS traveltimes are, in fact, affected by anomalous mantle structure, potentially including both velocity heterogeneity and anisotropy. Velocity variations affect not only a wave’s traveltime, but also the path of a wave, which can be observed in deviations of the wave’s incoming direction. Since radial velocity variations in the outer core will only minimally affect the wave path, in contrast to other potential effects, measuring the incoming direction of SmKS waves provides an additional diagnostic as to the origin of traveltime anomalies. Here we use arrays of seismometers to measure traveltime and direction anomalies of SmKS waves that sample the uppermost outer core. We form subarrays of EarthScope’s regional Transportable Array stations, thus measuring local variations in traveltime and direction. We observe systematic lateral variations in both traveltime and incoming wave direction, which cannot be explained by changes to the radial seismic velocity profile of the outer core. Moreover, we find a correlation between incoming wave direction and traveltime anomaly, suggesting that observed traveltime anomalies may be caused, at least in part, by changes to the wave path and not solely by perturbations in outer core velocity. Modelling of 1-D ray and 3-D wave propagation in global 3-D tomographic models of mantle velocity anomalies match the trend of the observed traveltime anomalies. Overall, we demonstrate that observed SmKS traveltime anomalies may have a significant contribution from 3-D mantle structure, and not solely from outer core structure.

58 GEOSCIENCES↗
DOE OSTI2020

Investigating Core Gaps and the Development of Subcomponent Validation Methods for Wind Turbine Blades: Preprint

Core gaps are a common manufacturing defect observed in wind blade composite sandwich constructions, which occur when sheets of core material are not properly butted up against each other in the mold. The aim of this study was to characterize core gaps in composite sandwich constructions at the coupon scale. This was to gain an initial understanding of the defect before developing appropriate methodologies for more complex subcomponents as part of a much broader wind blade structural validation and damage tolerance program. Long beam flexure in 4-point-bending was chosen as the most appropriate loading scenario. Beam specimens were characterized with and without 10 mm core gaps in fiberglass/balsa sandwich beams. The core gaps were characterized with two separate resin systems; a Hexion epoxy and Arkema's Elium resins system (a novel, infusible thermoplastic). Results showed that the Elium beams without the core gaps were had a 15% lower static strength than their epoxy counterparts. The introduction of the core gap to the epoxy beams reduced their static strength by 35%. The Elium beams, however, exhibited negligible strength reductions with the inclusion of the core gap. Overall, this characterization study provided pertinent information with regards to core gaps as a manufacturing defect to allow for continued development of damage tolerance and subcomponent validation methodologies with the inclusion of manufacturing defects.

17 WIND ENERGY↗
DOE OSTI2021

Assessment of the burning-plasma operational space in ITER by using a control-oriented core-SOL-divertor model

In future tokamaks, the control of burning plasmas will require careful regulation of the plasma density and temperature. Along with the design of effective burn-control systems, understanding how the fusion power varies in the density-temperature space is vital for the operation of fusion power plants. Here in this work, the steady-state operational space of ITER is studied using a control-oriented core-plasma model coupled to a two-point model of the scrape-off-layer (SOL) and divertor regions. The two models are coupled through the exchange of input-output parameters. The deuterium and tritium recycling from the wall are output parameters of the SOL-divertor model that are used as input parameters in the core-plasma density balance. Furthermore, the separatrix temperature, which is an output parameter of the SOL-divertor model, is incorporated into the radial core-plasma temperature profiles. Therefore, the temperature-dependent power balance of the plasma core is intimately linked to the SOL-divertor model. Both the power entering the SOL from the core, as determined by the core-plasma power balance, and the separatrix density, as dictated by the core-plasma density balance, are input parameters to the SOL-divertor model. They are control knobs in the SOL-divertor model that can be regulated using the core-plasma actuators: auxiliary power and pellet injection. There are various operational limitations, such as the saturation of the aforementioned actuators, that will prevent ITER from accessing certain high-fusion plasma regimes. The achievable tritium concentration in the fueling lines and the maximum sustainable heat load on the divertor will impose further restrictions. By accounting for these limitations, the ITER operational space is computed based on the coupled core-SOL-divertor model and visualized using Plasma Operation Contour (POPCON) plots that map performance metrics, such as the fusion to auxiliary power ratio, over the density-temperature space. Comparisons are drawn between plasmas with different recycling, confinement, and SOL-divertor conditions.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2023

Control-oriented core-SOL-divertor model to address integrated burn and divertor control challenges in ITER

The real-time regulation of a burning plasma’s temperature and density, or burn control, will be necessary to produce high fusion power in future tokamaks like ITER. This is made more challenging due to the plasma’s nonlinear characteristics and the interdependence between the core-plasma and edge-plasma regions. For example, a raising plasma temperature leads to increasing reactivity and therefore to more alpha-particle heating, which further increases temperature. Furthermore, a raise of the fusion power increases the heat flow through the scrape-off-layer (SOL), which can compromise the integrity of the divertor without proper safeguards. For control design, a model-based approach is attractive because it can directly incorporate the nonlinear, coupled, burning-plasma dynamics into the design. To facilitate this design approach, a control-oriented core-SOL-divertor (CSD) model is presented in this work. In this CSD model, a core-plasma model captures the nonlinear dynamics of the core’s density and temperature, and a SOL-divertor model defines the plasma conditions at the separatrix and divertor including the heat load on the target plates. The core-plasma and SOL-divertor models are coupled through the exchange of various variables. In particular, the SOL-divertor model yields the separatrix temperature and the influx of recycled particles into the core-plasma. Further, these variables influence the power and particle balances captured by the core-plasma model. In return, the core-plasma model determines the intensity of the heat and particles fluxes across the separatrix, and this outflow strongly impacts the SOL-divertor model. Therefore, the power and density of the core-plasma, which can be readily modulated through external heating systems and pellet injection, can be viewed as control knobs for the SOL-divertor region in addition to the gas puffing. In simulations of the CSD model, it is demonstrated how external actuation can be utilized to meet burn control and divertor control objectives simultaneously.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Core-shell and egg-shell zeolite catalysts for enhanced hydrocarbon processing

Developing structure-performance relationships with the underlying goal of optimizing known zeolite catalysts involves the manipulation of their physicochemical properties. Here, we systematically assessed the impact of mesoscopic gradients in acid site concentration, which has generally received little attention in the design of zeolite catalysts for hydrocarbon upgrading. A series of core–shell MEL-type zeolites were synthesized with catalytically active ZSM-11 cores and passivated silicalite-2 shells of varying thickness. Our findings revealed that ZSM-11@silicalite-2 particles with ultrathin shells (<10 nm) have enhanced mass transport, characteristic of relatively smaller particles, compared to the corresponding ZSM-11 core. Additionally, catalytic testing using the methanol-to-hydrocarbon (MTH) reaction showed that core–shell zeolites exhibit longer lifetimes, higher total turnovers, and an unexpected promotion of the aromatic cycle in the hydrocarbon pool mechanism. Time-resolved acid titration of core and core–shell catalysts confirmed that the siliceous shell introduces a hydrophobic exterior that impacts molecular diffusion. In comparison, prepared MFI core-shells (ZSM-5@silicalite-1) showed similar enhancement in catalyst performance. Moreover, we prepared egg-shell configurations of each zeolite, silicalite-2@ZSM-11 and silicalite-1@ZSM-5, comprised of an inert core and catalytically active shell. This inverse design of the egg-shell created pseudo nanosheets with total turnovers that were markedly higher than their homogeneous counterparts. Collectively, this study demonstrated that mesoscopic gradients in acid concentration via the design of core–shell and egg-shell zeolites significantly improve catalyst performance over conventional analogues for hydrocarbon upgrading.

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

Local Electric Field Effects on Water Dissociation in Bipolar Membranes Studied Using Core–Shell Catalysts

The local electric field strength is thought to affect the rate of water dissociation (WD) in bipolar membranes (BPMs) at the catalyst–nanoparticle surfaces. Here, we study core–shell nanoparticles, where the core is metallic, semiconducting, or insulating, to understand this effect. The nanoparticle cores were coated with a WD catalyst layer (TiO2 or HfO2) via atomic layer deposition (ALD), and the morphology was imaged with transmission electron microscopy. Irrespective of the core material, these core–shell catalysts displayed comparable WD overpotentials at optimal mass loading, despite the hypothesized differences in the electric field strength across the catalyst particle suggested by continuum electrostatic simulations. Substantial atomic interdiffusion between the core and shell was ruled out by X-ray absorption spectroscopy, X-ray photoelectron spectroscopy, and diffuse reflectance optical measurements. However, the optimal mass loading of catalyst was roughly 1 order of magnitude higher for the conductive and high dielectric core materials than for the low dielectric insulating cores. These findings are consistent with the hypothesis that electric field screening within the core material focuses the electric field drop between particles such that larger film thicknesses can be tolerated. Collectively, these data support the idea that it is the local electric field at the molecular level that controls proton-transfer rates and that the metal core/dielectric-shell constructs introduced here modulate that field. Further materials and synthetic design may enable optimization of the electric field strength across the proton-transfer trajectory at the material surface.

Sarma, Prasad V↗
DOE OSTI2026

PWR Core Analysis for Cycle Extension and Uprates with LEU+ Accident Tolerant Fuel and 80 GWd/Tonne Burnup Limit

The U.S. Nuclear Regulatory Commission has recently drafted a rule enabling fuel burnup increase in light water reactors up to 80 GWd/t. In conjunction with use of fuel enrichment up to 10%, and accident tolerant fuel (ATF), this is anticipated to facilitate 24-month cycles in PWRs, along with further power uprates. In this paper, PWR core analysis is performed for 20% increased PWR power output along with cycle extension up to 24 months, in combination with use of chromia-doped fuel and chromium-coated clad, considered to be the most near-term ATF concepts. In combination, these lead to challenging conditions with a core average discharge burnup of up to ~74 GWd/t, challenging even the 80 GWd/t burnup limit. Analysis is performed using the 2-step method with POLARIS (within SCALE) used for the lattice calculations and PARCS for the core calculations. Core designs are first baselined for current operating conditions (LEU, 62 GWd/t discharge burnup limit) and then derived that meet cycle constraints on power distribution and the updated lead pin discharge burnup limit while maintaining at least two batches of fuel in the core. Gadolina loadings in fuel pins of up to 8% are used, with enrichment zoning both within the core and, to a limited extent, within assemblies. Here, doped fuel with coated cladding can utilize the same core designs as the reference UOX cores, exhibiting slightly lower burnup due to higher fuel density, which also offsets the slight reactivity penalty from the doping and coating. For the analysis performed here, doped fuel enabled a core with 24-month cycle and 20% uprate to stay within the 80 GWd/t lead pin discharge burnup limit.

LEU+↗
DOE OSTI2023

Dynamics in Star-forming Cores (DiSCo): project overview and the first look towards the B1 and NGC 1333 regions in Perseus

The internal velocity structure within dense gaseous cores plays a crucial role in providing the initial conditions for star formation in molecular clouds. However, the kinematic properties of dense gas at core scales (~0.01–0.1 pc) has not been extensively characterized because of instrument limitations until the unique capabilities of GBT-Argus became available. The ongoing GBT-Argus Large Program, Dynamics in Star-forming Cores (DiSCo) thus aims to investigate the origin and distribution of angular momentum of star-forming cores. DiSCo will survey all starless cores and Class 0 protostellar cores in the Perseus molecular complex down to ~0.01 pc scales with <0.05 km s –1 velocity resolution using the dense gas tracer N 2 H + . Here, we present the first data sets from DiSCo towards the B1 and NGC 1333 regions in Perseus. Our results suggest that a dense core’s internal velocity structure has little correlation with other core-scale properties, indicating these gas motions may be originated externally from cloud-scale turbulence. These first data sets also reaffirm the ability of GBT-Argus for studying dense core velocity structure and provided an empirical basis for future studies that address the angular momentum problem with a statistically broad sample.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Power distribution estimation method for SMR using ex-core detectors: experimental demonstration by plural control rod patterns at KUCA

The power distribution estimation method based on the ex-core detectors, or PHOEBE, was demonstrated at Kyoto University Critical Assembly, KUCA. Generally, core monitoring systems use in-core neutron detectors. Since inside the core is a harsh environment, the maintainability and reliability of the detectors are deteriorated. On the other hand, the environment outside the core is milder: core monitoring by the ex-core detectors improves the maintainability and reliability especially for small modular reactors and micro-reactors. However, neutron information from the inner region of the core is lost at the ex-core detectors. To recover the information, the authors proposed to utilize the power correlation between the fuel regions. PHOEBE concept was demonstrated at KUCA with distorted power distributions simulated by control rod patterns. The relative power distribution estimated by PHOEBE agreed with that calculated by Monte Carlo simulation code MVP. PHOEBE approximately reproduced the trend of the distorted power distributions calculated by MVP code. By contrast, the case of without power correlation between fuel regions produced significant different power distributions. Therefore, the advantage of considering the power correlation between fuel regions was also demonstrated. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2023

Applying the core-satellite species concept: Characteristics of rare and common riverine dissolved organic matter

Introduction: Dissolved organic matter (DOM) composition varies over space and time, with a multitude of factors driving the presence or absence of each compound found in the complex DOM mixture. Compounds ubiquitously present across a wide range of river systems (hereafter termed core compounds) may differ in chemical composition and reactivity from compounds present in only a few settings (hereafter termed satellite compounds). Here, we investigated the spatial patterns in DOM molecular formulae presence (occupancy) in surface water and sediments across 97 river corridors at a continental scale using the “Worldwide Hydrobiogeochemical Observation Network for Dynamic River Systems—WHONDRS” research consortium. Methods: We used a novel data-driven approach to identify core and satellite compounds and compared their molecular properties identified with Fourier-transform ion cyclotron resonance mass spectrometry (FT-ICR MS). Results: In this work, we found that core compounds clustered around intermediate hydrogen/carbon and oxygen/carbon ratios across both sediment and surface water samples, whereas the satellite compounds varied widely in their elemental composition. Within surface water samples, core compounds were dominated by lignin-like formulae, whereas protein-like formulae dominated the core pool in sediment samples. In contrast, satellite molecular formulae were more evenly distributed between compound classes in both sediment and water molecules. Core compounds found in both sediment and water exhibited lower molecular mass, lower oxidation state, and a higher degree of aromaticity, and were inferred to be more persistent than global satellite compounds. Higher putative biochemical transformations were found in core than satellite compounds, suggesting that the core pool was more processed. Discussion: The observed differences in chemical properties of core and satellite compounds point to potential differences in their sources and contribution to DOM processing in river corridors. Overall, our work points to the potential of data-driven approaches separating rare and common compounds to reduce some of the complexity inherent in studying riverine DOM.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Data Report: UT-GOM2-1 Lithostratigraphic Core Description Logs at Site GC 955, Holes H002 and H005

Lithostratigraphic core description provides a record of the stratigraphic variation in composition, texture, and sedimentary structure preserved in marine sediment cores. Here we present graphical lithostratigraphic core description logs for pressure cores collected during the 2017 UT GOM2-1 Expedition. The cores summarized here were those that were not retrieved under pressure, but nevertheless recovered some sufficient, intact strata that represent the host lithology across the Green Canyon (GC) 955 gas hydrate reservoir. Our results here represent visual core descriptions and include split core photos and location data for samples collected during core description.

03 NATURAL GAS↗
DOE OSTI2025

Nanoscale and Element-Specific Lattice Temperature Measurements Using Core-Loss Electron Energy-Loss Spectroscopy

Measuring nanoscale local temperatures, particularly in vertically integrated and multicomponent systems, remains challenging. Spectroscopic techniques like X-ray absorption and core-loss electron energy-loss spectroscopy (EELS) are sensitive to lattice temperature, but understanding thermal effects is nontrivial. This work explores the potential for nanoscale and element-specific core-loss thermometry by comparing the Si L2,3 edge’s temperature- dependent redshift against plasmon energy expansion thermometry (PEET) in a scanning TEM. Using density functional theory (DFT), time-dependent DFT, and the Bethe−Salpeter equation, we ab initio model both the Si L 2,3 and plasmon redshift. We find that the core-loss redshift occurs due to bandgap reduction from electron−phonon renormalization. Our results indicate that despite lower core-loss signal intensity compared to plasmon features, core-loss thermometry has key advantages and can be more accurate through standard spectral denoising. Specifically, we show that the Varshni equation easily interprets the core-loss redshift for semiconductors, which avoids plasmon spectral convolution for PEET in complex junctions and interfaces. We also find that core-loss thermometry is more accurate than PEET at modeling thermal lattice expansion in semiconductors, unless the specimen’s temperature-dependent dielectric properties are fully characterized. Furthermore, core-loss thermometry has the potential to measure nanoscale heating in multicomponent materials and stacked interfaces with elemental specificity at length scales smaller than the plasmon’s wave function.

Bethe–Salpeter equation↗
DOE OSTI2021

A Long-Lived Planetesimal Dynamo Powered by Core Crystallization

The existence of numerous iron meteorite groups indicates that some planetesimals underwent melting that led to metal-silicate segregation, sometimes producing metallic cores. Meteorite paleomagnetic records suggest that crystallization of these cores generated dynamo magnetic fields. In this work, we describe the magnetic history of the partially differentiated IIE iron meteorite parent body. This is the first planetesimal for which we have a time-resolved paleomagnetic record constrained by 40 Ar/ 39 Ar chronometry spanning several tens of million years (Ma). We find that the core of the IIE parent body generated a dynamo, likely powered by core crystallization, starting before 78 ± 13 Ma after solar system formation and lasting at least 80 Ma. Such extended core crystallization suggests that the core composed a substantial fraction of the body (≳ 13%–19% core-to-body radius ratio depending on the body’s radius), indicating efficient core formation within some partially differentiated planetesimals.

58 GEOSCIENCES↗