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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 73 records · Page 4

Quaternary slip rates and most recent surface rupture of the Bitterroot fault, western Montana

The Bitterroot fault is a ~100-km-long Quaternary active normal fault that bounds the eastern margin of the north–south-trending Bitterroot Mountains and accommodates extension near the Intermountain Seismic Belt. Here, new detailed mapping using high-resolution topographic data derived from light detection and ranging (lidar) along the southern Bitterroot Range documents multiple generations of fault scarps in Holocene–Pleistocene deposits with vertical off sets that increase in magnitude with age. Fault mapping indicates a complex fault geometry characterized by an en echelon pattern of discontinuous segments of 41–78° east-dipping normal faults that appear to cut the older Eocene detachment fault, and locally 70–88° west-dipping antithetic normal faults. 10 Be cosmogenic exposure dating provides in situ age control for 32 surface boulders (>1 m) sampled in glacial deposits. Near Como Dam, two Pinedale-age glacial moraine sequences yield peak age distributions of 15.0 ± 0.4 ka and 16.4 ± 0.6 ka as apparent exposure ages (e = 0), and 15.4 ± 0.4 ka and 16.8 ± 0.6 ka based on the maximum allowed boulder surface erosion rate (e = 2 mm/ka). Vertical separation of 3.5 ± 0.2 m across the ~16–17 ka glacial moraine off set by the Bitterroot fault scarp yields a fault slip rate of 0.2–0.3 mm/yr. Glacial Lake Missoula highstand shorelines, inset into the ~15 ka glacial moraine and vertically off set 4.6 ± 1.6 m by an antithetic strand of the Bitterroot fault, yield fault slip rates of 0.2–0.5 mm/yr that overlap with fault slip rates on the main strand near Lake Como (0.2–0.3 mm/yr). At the Ward Creek fan located ~15 km to the north of Lake Como, two glacial debris fan sequences yield peak age distributions of 16.6 ± 0.4 ka and 62.8 ± 1.7 ka (e = 0), and 17.0 ± 0.4 ka and 69.9 ± 2.2 ka (e = 2 mm/ka). Vertical separations of 2.4 ± 0.3 m and 4.5 ± 0.2 m on the ~17 ka and ~63–70 ka fan surfaces off set by the Bitterroot fault yield fault slip rates of 0.2–0.3 mm/yr and 0.1 mm/yr, respectively. Our results indicate broadly consistent fault slip rates for the main fault segments at Lake Como (0.2–0.3 mm/yr) and the Ward Creek fan (0.1–0.3 mm/yr) with an along-strike range of 0.1–0.3 mm/yr for the southern Bitterroot fault. Fault scaling relations and evidence of multiple late Quaternary fault surface ruptures suggest the Bitterroot fault could produce a Mw ~7.2 earthquake. Structural model constraints and our slip rate results indicate both high-angle or low-angle fault geometries are possible at depth. A seismogenic low-angle fault model could generate a larger earthquake of Mw >7.2. Earthquake history is unknown for the Bitterroot fault, but fault scarps in young glacial deposits demonstrate its seismogenic potential. Data from this study suggest seismic hazards from the Bitterroot fault may pose a high level of risk to the Missoula metropolitan area, the State’s second most populous region, and major infrastructures across the Missoula and Bitterroot Valleys.

58 GEOSCIENCES↗

Zeta potential measurements of SiO 2 and TiO 2 particles in anionic and cationic surfactant solutions

Zeta potential measurements can provide valuable insights into colloidal stability and may reflect changes in the electrochemical double layer that influence electrocatalysis. In this study, we used zeta potential measurements to monitor and investigate the adsorption behavior of anionic sodium dodecyl sulfate (SDS), cationic dodecyl trimethyl ammonium bromide (DTAB), and cationic cetyl trimethyl ammonium bromide (CTAB) surfactants on SiO 2 and TiO 2 particles in DI water. The zeta potentials of SiO 2 and TiO 2 particles were measured as a function of particle concentration in 1.0 mM, 5.0 mM, and 10.0 mM surfactant solutions. Results indicate that there is no significant adsorption of DS - ions on SiO 2 particles across all SDS concentrations investigated in this study. The zeta potential of TiO 2 particles shifts from negative to positive as particle concentration increases at 1.0 mM SDS, indicating a decrease in DS - ions adsorption per TiO 2 particle. Adsorption plateaus at 5.0 mM SDS for all TiO 2 concentrations studied. In contrast, DTA + and CTA + ions showed clear adsorption on SiO 2 particles, but DTA + exhibited no apparent adsorption on TiO 2 particles. Interestingly, CTA + adsorption on TiO 2 was only evident at higher surfactant concentrations. This study presents a systematic investigation of zeta potential behavior as a function of particle and surfactant concentration, highlighting adsorption saturation and electrostatic reversal. Unlike prior work that was limited to single particle concentration measurements, our approach reveals how surfactant adsorption per particle decreases with increasing surface area. Despite the structural similarity between DTAB and CTAB, this study captured the different adsorption behaviors of both surfactants on SiO 2 and TiO 2 , emphasizing the role of the overall structure of the surfactant on surfactant adsorption behavior. These insights refine the interpretation of zeta potential data and advance understanding of surfactant adsorption on oxide particles. The insight provided in this study about surfactant adsorption on SiO 2 and TiO 2 particles could have important implications for the design of more effective colloidal and catalytic systems.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Direct Evidence for a Sequential Electron Transfer–Proton Transfer Mechanism in the PCET Reduction of a Metal Hydroxide Catalyst

Here, the proton-coupled electron transfer (PCET) mechanism for the reaction M ox -OH + e − + H + → M red -OH 2 was de-termined through kinetic resolution of the independent electron transfer (ET) and proton transfer (PT) steps. The reaction of interest was triggered by visible light excitation of [Ru II (tpy)(bpy′)H 2 O] 2+ , Ru II -OH 2 , where tpy is 2,2′:6′,2″-terpyridine and bpy′ is 4,4′-diaminopropylsilatrane-2,2′-bipyridine, anchored to In 2 O 3 :Sn (ITO) thin films in aqueous solutions. Interfacial kinetics for the PCET reduction reaction were quantified by nanosecond transient absorption spectroscopy as a function of solution pH and applied potential. Data acquired from pH = 5-10 revealed a stepwise electron-transfer proton-transfer (ET-PT) mechanism, while kinetic measurements made below the pK a (Ru III -OH/OH 2 ) = 1.3 were used to study the analogous interfacial reaction where electron transfer was the only mechanistic step. Analysis of this data with a recently reported multi-channel kinetic model was used to construct a PCET zone diagram and supported the assignment of an ET-PT mechanism from pH = 5-10. Ultimately, this study represents a unique example amongst M ox -OH/M red -OH 2 reactivity where the protona-tion and oxidation state of the intermediate was kinetically and spectrally resolved to firmly establish the PCET mechanism.

Charge transfer↗

Simultaneous broadband laser ranging and photonic Doppler velocimetry for dynamic compression experiments

A diagnostic was developed to simultaneously measure both the distance and velocity of rapidly moving surfaces in dynamic compression experiments, specifically non-planar experiments where integrating the velocity in one direction does not always give the material position accurately. The diagnostic is constructed mainly from fiber-optic telecommunications components. The distance measurement is based on a technique described by Xia and Zhang [Opt. Express 18, 4118 (2010)], which determines the target distance every 20 ns and is independent of the target speed. We have extended the full range of the diagnostic to several centimeters to allow its use in dynamic experiments, and we multiplexed it with a photonic Doppler velocimetry (PDV) system so that distance and velocity histories can be measured simultaneously using one fiber-optic probe. The diagnostic was demonstrated on a spinning square cylinder to show how integrating a PDV record can give an incorrect surface position and how the ranging diagnostic described here obtains it directly. The diagnostic was also tested on an explosive experiment where copper fragments and surface ejecta were identified in both the distance and velocity signals. We show how the distance measurements complement the velocity data. Potential applications are discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Left-right spin asymmetry in ℓ⁢ 𝑁 ↑ → ℎ⁡𝑋

We consider the inclusive production of hadrons in lepton-nucleon scattering. For a transversely polarized nucleon this reaction shows a left-right azimuthal asymmetry, which we compute in twist-3 collinear factorization at leading order in perturbation theory. All nonperturbative parton correlators of the calculation are fixed through information from other hard processes. Our results for the left-right asymmetry agree in sign with recent data for charged pion production from the HERMES Collaboration and from Jefferson Lab. However, the magnitude of the computed asymmetries tends to be larger than the data. Potential reasons for this outcome are identified. Furthermore, we also give predictions for future experiments and highlight in particular the unique opportunities at an electron ion collider.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Energy Gap of the Even-Denominator Fractional Quantum Hall State in Bilayer Graphene

Bernal bilayer graphene hosts even-denominator fractional quantum Hall states thought to be described by a Pfaffian wave function with non-Abelian quasiparticle excitations. Here, in this study, we report the quantitative determination of fractional quantum Hall energy gaps in bilayer graphene using both thermally activated transport and by direct measurement of the chemical potential. We find a transport activation gap of 5.1 K at B = 12 T for a half filled N = 1 Landau level, consistent with density matrix renormalization group calculations for the Pfaffian state. However, the measured thermodynamic gap of 11.6 K is smaller than theoretical expectations for the clean limit by approximately a factor of 2. We analyze the chemical potential data near fractional filling within a simplified model of a Wigner crystal of fractional quasiparticles with long-wavelength disorder, explaining this discrepancy. Our results quantitatively establish bilayer graphene as a robust platform for probing the non-Abelian anyons expected to arise as the elementary excitations of the even-denominator state.

36 MATERIALS SCIENCE↗

Exploring Electrode-Level State-of-Charge and State-of-Health Dynamics in Lithium-Ion Battery Cells: Modeling and Experimental Identification

A computationally efficient model serves as a critical prerequisite for battery performance analysis and advanced battery management algorithm design. Although battery models that capture cell-level behavior have been widely explored in existing literature, electrode-level battery models have received much lesser attention till to date. However, such electrode-level models can significantly increase battery performance and life by enabling electrode-level health-conscious control. Such electrode-level control can effectively expand usable energy and power limits of the battery cells by utilizing the knowledge of individual electrodes' charge and health. In this context, this paper presents a comprehensive battery model developed with a reference electrode insertion that captures (i) electrode-level charge/discharge dynamics, (ii) stoichiometric and temporal dependencies of electrode-level resistances, (iii) solid electrolyte interface (SEI) layer growth as key degradation phenomenon, and (iv) capacity fade and resistance rise in each electrode due to nominal battery aging. The proposed model is identified, and a preliminary validation is performed utilizing terminal voltage and negative electrode potential data collected from a pouch cell under one continuous cycling and accelerated aging conditions where the cell experienced 14% capacity loss.

aging↗

SU-E-T-400: Evaluation of Shielding and Activation at Two Pencil Beam Scanning Proton Facilities

Purpose: To verify acceptably low dose levels around two newly constructed identical pencil beam scanning proton therapy facilities and to evaluate accuracy of pre-construction shielding calculations. Methods: Dose measurements were taken at select points of interest using a WENDI-2 style wide-energy neutron detector. Measurements were compared to pre-construction shielding calculations. Radiation badges with neutron dose measurement capabilities were worn by personnel and also placed at points throughout the facilities. Seven neutron and gamma detectors were permanently installed throughout the facility, continuously logging data. Potential activation hazards have also been investigated. Dose rates near water tanks immediately after prolonged irradiation have been measured. Equipment inside the treatment room and accelerator vault has been surveyed and/or wipe tested. Air filters from air handling units, sticky mats placed outside of the accelerator vault, and water samples from the magnet cooling water loops have also been tested. Results: All radiation badges have been returned with readings below the reporting minimum. Measurements of mats, air filters, cooling water, wipe tests and surveys of equipment that has not been placed in the beam have all come back at background levels. All survey measurements show the analytical shielding calculations to be conservative by at least a factor of 2. No anomalous events have been identified by the building radiation monitoring system. Measurements of dose rates close to scanning water tanks have shown dose rates of approximately 10 mrem/hr with a half-life less than 5 minutes. Measurements around the accelerator show some areas with dose rates slightly higher than 10 mrem/hr. Conclusion: The shielding design is shown to be adequate. Measured dose rates are below those predicted by shielding calculations. Activation hazards are minimal except in certain very well defined areas within the accelerator vault and for objects placed directly in the path of the beam.

60 APPLIED LIFE SCIENCES↗

Fast Model Generalized Pseudopotential Theory Interatomic Potential Routine

MGPT is an unclassified source code for the fast evaluation and application of quantum-based MGPT interatomic potentials for mrtals. The present version of MGPT has been developed entirely at LLNL, but is specifically designed for implementation in the open-source molecular0dynamics code LAMMPS maintained by Sandia National Laboratories. Using MGPT in LAMMPS, with separate input potential data, one can perform large-scale atomistic simulations of the structural, thermodynamic, defeat and mechanical properties of transition metals with quantum-mechanical realism.

Source record↗

The role of gamma radiation on zircaloy-4 corrosion - 2016-0029

A key microstructural feature of irradiated oxide films that form on Zircaloy-4 is the development of significant amounts of interconnected porosity or microcracking, particularly along oxide grain boundaries. This development disrupts the protective nature of the barrier layer, effectively resulting in an increase in the observed post-transition corrosion rates. This observation suggests that some aspect of oxide dissolution may be occurring. It is noteworthy that when exposed to photons with energies greater than that of the oxide band gap, n-type semiconducting oxides are prone to dissolution. Because zirconia (ZrO{sub 2}) is an n-type semiconductor, it is plausible that high-energy photons may play an important role in corrosion. In an operating nuclear reactor, neutron and gamma flux levels are closely interrelated because they arise, for the most part, from the same originating process (i.e., the fissioning of nuclear fuel). Thus, it is difficult to isolate the independent effects of neutron and gamma radiation on corrosion. It is, however, theoretically conceivable to assess the role that gamma radiation may have on corrosion by comparing instances where variations in radiation environment exists; specifically by comparing where variations in gamma flux levels relative to neutron flux levels within different regions of a reactor or from reactor to reactor exist. Comparisons of the corrosion rates obtained between two different reactors (the Halden test reactor and the advanced test reactor [ATR]) that have differing gamma-to-neutron ratios were performed. In addition, an examination of corrosion rate data from the ATR, in which a variation in gamma-to-neutron flux ratio exists, was also conducted. Results are presented, from both assessments, which indicate that gamma radiation plays a role in the irradiated corrosion behavior of Zircaloy-4. In addition to a discussion of experimental data, potential mechanisms associated with photon-induced oxide dissolution of n-type semiconducting oxides, such as zirconia, is also provided. (authors)

36 MATERIALS SCIENCE↗

ESS-DIVE Reporting Format for Sample-based Water and Soil Chemistry Measurements

The ESS-DIVE (Environmental Systems Science Data Infrastructure for a Virtual Ecosystem) reporting format for sample-based water and soil chemistry measurements are written guidelines and spreadsheet templates, that facilitate archiving water/soil/sediment chemistry data. The templates and terminology lists provided as part of the reporting format can help organize data and potentially enable data reuse.The reporting format consists of a general instructions file (instructions.md) as well as more detailed instructions files for each template (files beginning “Detailed_Instructions_*.md). The “examples” folder includes an example of each data template with just the limited set of required fields filled out as well as other examples with both required and optional fields complete.The 'templates' folder contains CSV templates for data, methods, and terminology file templates. Similar to the examples folder, the blank templates are provided with versions for required fields only as well as required and optional fields. Lastly, the term list folder provides common terminology used in each of the templates as well as a definition and any constraints for the fields.

54 ENVIRONMENTAL SCIENCES↗

Geomagnetic Storm Effects on Ionospheric Irregularities: Insights from SuperDARN, Madrigal GPS TEC, and ISR Data [Slides]

Geomagnetic disturbances trigger an influx of electrons from the magnetosphere, leading to an increase electron density (even in lower altitudes), amplified ionospheric currents, and subsequently, increased conductance. A surge in the AE index, indicating heightened auroral currents, correlates with a rise in precipitated charged particles, including electrons, into the polar ionosphere. This correlation is detectable through increased parameter values measured by SuperDARN. The downward flow of electron density towards lower altitudes, as observed in PFISR data, potentially obstructs the transmission frequency from radar stations passing through the PFISR location (just like we saw in the KOD station). During the geomagnetic storm, there is increased backscatter power (increased amount of ionospheric irregularities), and the plasma flow draws closer to the radar, suggesting a possible southward shift in the auroral oval as a result of the heightened auroral activity. Increased geomagnetic activity correlates with an elevation in average TEC and induces the occurrence of SED (Storm Enhanced Density).

58 GEOSCIENCES↗

A Life Cycle Analysis Framework for Point Source Capture Systems

NETL studies the costs and benefits of PSC for electricity, industry, and mobile applications. Mobile point source capture (MPSC) and storage applied to freight modes captures emissions directly from exhaust. This poster presents a framework for conducting LCA of PSC systems applied to heavy-duty trucks, freight trains, and marine vessels. The framework defines a wheels-to-storage (gate-to-grave) boundary, including energy demands (electricity, heat, and cooling requirements), solvent use and cycling, onboard system components, carbon storage in a saline aquifer, and upstream manufacturing impacts for equipment, with a suggested functional unit of 1 tonne-km. Potential data sources for analysis include material, energy, and operational data from Oak Ridge National Laboratory, GREET (Greenhouse gases, Regulated Emissions, and Energy use in Technologies) model, and scientific literature. The suggested analytical approach includes comparison to publicly available business-as-usual systems without capture across all modes of transportation, sensitivity to composition of the capture solvent, and sensitivity to capture rate variation, all of which would support a wholistic PSC business case analysis. For future consideration, analysis can be augmented with consideration of different sources of electricity (e.g., nuclear), fuel substitution, deploying supportive infrastructure such as pipeline offloading points, and downstream applications like enhanced oil recovery (EOR).

life cycle analysis (LCA)↗

A new method of studying the fundamental mechanisms involved in pigment liberation from recycle papers

Deinking flotation is the most efficient and widely used method of removing ink particles from printed papers to improve the recyclability. A prerequisite for successful deinking flotation is detachment of pigments from paper fibers, a subprocess known as liberation. The degree of liberation is usually determined via hyperwashing tests, which are costly and time consuming. Furthermore, they provide no information on the fundamental mechanisms controlling liberation. In the present work, we developed a new method in which ?-potentials of the particles in a pulp are measured and analyzed. If pigments are not liberated from paper fibers, a frequency distribution plot gives a single peak, while two peaks appear when they are liberated. One can readily determine the degrees of liberation from the peak positions and peak heights. In addition, the ?-potential data can be used to construct disjoining pressure isotherms using the DLVO theory that are useful to better understand the fundamental mechanisms involved and the roles of different reagents used to improve pigment liberation.

42 ENGINEERING↗

An underground, wireless, open-source, low-cost system for monitoring oxygen, temperature, and soil moisture

Abstract. The use of wireless sensor networks to measure soil parameters eliminates the need to remove sensors for field operations, such as tillage, thus allowing long-term measurements without multiple disturbances to soil structure. Wireless sensors also reduce above-ground cables and the risk of undesired equipment damage and potential data loss. However, implementing wireless sensor networks in field studies usually requires advanced and costly engineering knowledge. This study presents a new underground, wireless, open-source, low-cost system for monitoring soil oxygen, temperature, and soil moisture. The process of system design, assembly, programming, deployment, and power management is presented. The system can be left underground for several years without the need to change the battery. Emphasis was given on modularity so that it can be easily duplicated or changed if needed and deployed without previous engineering knowledge. Data from this type of system have a wide range of applications, including precision agriculture and high-resolution modelling.

54 ENVIRONMENTAL SCIENCES↗

Fast Model Generalized Pseudopotential Theory Interatomic Potential Routine

MGPT is an unclassified source code for the fast evaluation and application of quantum-based MGPT interatomic potentials for mrtals. The present version of MGPT has been developed entirely at LLNL, but is specifically designed for implementation in the open-source molecular0dynamics code LAMMPS maintained by Sandia National Laboratories. Using MGPT in LAMMPS, with separate input potential data, one can perform large-scale atomistic simulations of the structural, thermodynamic, defeat and mechanical properties of transition metals with quantum-mechanical realism.

Source record↗

Data from "Deep Potential Molecular Dynamics Simulations of Low-Temperature Plasma-Surface Interactions"

Data and input files related to the paper "Deep Potential Molecular Dynamics Simulations of Low-Temperature Plasma-Surface Interactions" (https://doi.org/10.1116/6.0004027). This includes the final DP model used in all simulations, training data set, example input files to run DeepMD (with LAMMPS), and data tables summarizing the results obtained from the simulations.

machine learning models↗

Ultra-fast interpretable machine-learning potentials

Abstract All-atom dynamics simulations are an indispensable quantitative tool in physics, chemistry, and materials science, but large systems and long simulation times remain challenging due to the trade-off between computational efficiency and predictive accuracy. To address this challenge, we combine effective two- and three-body potentials in a cubic B-spline basis with regularized linear regression to obtain machine-learning potentials that are physically interpretable, sufficiently accurate for applications, as fast as the fastest traditional empirical potentials, and two to four orders of magnitude faster than state-of-the-art machine-learning potentials. For data from empirical potentials, we demonstrate the exact retrieval of the potential. For data from density functional theory, the predicted energies, forces, and derived properties, including phonon spectra, elastic constants, and melting points, closely match those of the reference method. The introduced potentials might contribute towards accurate all-atom dynamics simulations of large atomistic systems over long-time scales.

36 MATERIALS SCIENCE↗