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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 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Basal Plane Doping to Activate Colloidal MoS 2 Nanosheets for Catalytic Hydrodeoxygenation of para- Cresol

The valorization of biomass into biofuels is a critical process for producing renewable fuels. Hydrodeoxygenation (HDO), particularly over doped molybdenum disulfide (MoS 2 ), a transition metal dichalcogenide (TMD) material, is a common representative catalytic reaction system for converting biomass-derived materials into useful hydrocarbons. However, the location and role of dopants, such as Co, in HDO is not fully understood. The effects of dopant location and oxidation state are often precluded by inhomogeneity in the ensemble properties of nanosheet size and dopant dispersion, as well as difficulty in observing the behavior of atomic site behavior directly. Using a colloidal approach to synthesize cobalt-doped MoS 2 nanosheets with controlled dopant concentration, combined with X-ray absorption spectroscopy (XAS) and density functional theory (DFT) calculations, we determine that basal plane doped Co (25% Co:Mo mole ratio) shows peak catalytic activity in HDO of para-cresol, a model biomass-derived compound, and that basal Co sites are demonstrably more active than edge sites. By observing these doping effects in MoS 2 catalysts for HDO, we can further optimize not only the production of carbon-neutral fuels but also direct the tailoring of doped TMD catalysts toward their intended applications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Structures of HIV-1 Neutralizing Antibody 10E8 Delineate the Mechanistic Basis of Its Multi-Peak Behavior on Size-Exclusion Chromatography

Antibody 10E8 is capable of effectively neutralizing HIV through its recognition of the membrane-proximal external region (MPER), and a suitably optimized version of 10E8 might have utility in HIV therapy and prophylaxis. However, 10E8 displays a three-peak profile on size-exclusion chromatography (SEC), complicating its manufacture. Here we show cis-trans conformational isomerization of the Tyr-Pro-Pro (YPP) motif in the heavy chain 3rd complementarity-determining region (CDR H3) of antibody 10E8 to be the mechanistic basis of its multipeak behavior. We observed 10E8 to undergo slow conformational isomerization and delineate a mechanistic explanation for effective comodifiers that were able to resolve its SEC heterogeneity and to allow an evaluation of the critical quality attribute of aggregation. We determined crystal structures of single and double alanine mutants of a key di-proline motif and of a light chain variant, revealing alternative conformations of the CDR H3. We also replicated both multi-peak and delayed SEC behavior with MPER-antibodies 4E10 and VRC42, by introducing a Tyr-Pro (YP) motif into their CDR H3s. Our results show how a conformationally dynamic CDR H3 can provide the requisite structural plasticity needed for a highly hydrophobic paratope to recognize its membrane-proximal epitope.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Transformational faulting in Mn 2 GeO 4 from olivine to wadsleyite structure: Implications for physical mechanism of deep-focus earthquakes

High-pressure and temperature deformation experiments interfaced with acoustic emission (AE) monitoring have been conducted to study transformational faulting in Mn 2 GeO 4 olivine, which transforms to the β phase, isostructural to wadsleyite. Metastable Mn 2 GeO 4 olivine exhibits a marked embrittlement behavior at temperatures between 800 and 1100 K, emitting numerous AEs. At each temperature, brittle deformation is characterized by a two-stage process: (1) a “preparation” stage with numerous diffusedly located low-magnitude AEs and large b values (>2), and (2) a failure stage where larger-magnitude AEs form a planar distribution with b values about 1. Microstructure analysis reveals extensive kink band development in olivine grains in the recovered samples. Kink band boundaries (KBBs), with a typical thickness of ∼100 nm, are filled with a nanometric β-Mn 2 GeO 4 “gouge”. A dense array of secondary shear localizations is often present within the kink bands, suggesting significant shear deformation therein. The combined observations suggest that faulting in metastable Mn 2 GeO 4 olivine is a self-similar process, from grain-scale to the sample-scale. Both observed embrittlement behavior and the microstructure of metastable Mn 2 GeO 4 olivine are essentially identical to those in Mg 2 GeO 4 olivine we have reported previously, indicating that the physical mechanism of faulting in metastable olivine is insensitive to the specific crystallographic structure of the high-pressure phase. The low b values (about 1) observed in the faulting process in our experiments are similar to those of deep focus earthquakes in cold subduction zones. Our observed mechanism explains deep focus seismicity in cold metastable mantle wedges, provided that the self-similarity assumption holds to geological scales.

58 GEOSCIENCES↗
DOE OSTI2020

The effects of nanoscale confinement on the behavior of metal laminates

By reducing the layer thickness, h, in metal multilayers from micrometer- to nanometer-levels, scale-dependent transitions in behavior are observed. The role of interface properties in these transitions has been extensively investigated. However, reducing h to the nanoscale regime also imposes a physical geometric confinement on defect-related processes occurring within the layers, an effect that is relatively less explored. Herein, we present illustrative examples of the influence of nanoconfinement on the strength, structure, and radiation response of multilayers. These examples show that nanoconfinement and interface structure and topology act cooperatively in the nanoscale limit, affecting behaviors that cannot be explained based on either factor alone.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Lattice response to ambient self-irradiation of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures

Self-irradiation in plutonium is a continuous process that introduces radiation damage ranging from point defects to nanoscale radiation damage as well as decay daughter product impurities that require to be accommodated by the host material. These changes are affecting the structure and properties of the material by lattice swelling, mechanical strengthening, and other alterations. X-ray diffraction and dilatometry studies have shown that the room temperature self-irradiation of δ-phase Pu-Ga alloys (2 and 7 at%Ga) results in swelling of the lattice that saturates after 0.1–0.2 displacement per atom (dpa) of accumulated lattice damage. Here, for a better understanding of these self- irradiation processes, defect accumulation and damage evolution, this time-of-flight neutron diffraction study investigates the impact of ambient self-irradiation effects on the structural evolution of δ-phase 239 Pu-Ga alloys exposed to cryogenic temperatures (<120 K), associated with a varied history of storage time and thermal treatments. Two key behaviors were observed in the lattice evolution after exposure to cryogenic temperatures with respect to room-temperature accumulated self-irradiation damage. Samples with no self- irradiation damage accumulation under ambient conditions showed swelling of the lattice at the end of the measurement, while samples that accumulated significant self-irradiation damage under ambient conditions showed only a partial recovery of the lattice parameter value upon completion of the measurements (cooling followed by heating back to room temperature). Possible causes of the behavior are proposed, and their associated effects are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Effect of Pt vacancies on magnetotransport of Weyl semimetal candidate GdPtSb epitaxial films

Here, we examine the effects of Pt vacancies on the magnetotransport properties of Weyl semimetal candidate GdPtSb films, grown by molecular beam epitaxy on c-plane sapphire. Rutherford backscattering spectrometry and x-ray diffraction measurements suggest that phase-pure GdPt x ⁢Sb films can accommodate up to 15% of Pt vacancies (x = 0.85), which act as acceptors, as measured by the Hall effect. Two classes of electrical transport behavior are observed. Pt-deficient films display metallic temperature-dependent resistivity (dρ/dT > 0). The longitudinal magnetoresistance (LMR, magnetic field B parallel to electric field E) is more negative than transverse magnetoresistance (TMR, B⁢⊥⁢E), consistent with the expected chiral anomaly for a Weyl semimetal. The combination of Pt-vacancy disorder and doping away from the expected Weyl nodes, however, suggests that conductivity fluctuations may explain the negative LMR rather than chiral anomaly. Samples closer to stoichiometry display the opposite behavior: semiconductorlike resistivity (dρ/dT > 0) and more negative TMR than LMR. Hysteresis and other nonlinearities in the low-field Hall effect and magnetoresistance suggest that spin-disorder scattering and possible topological Hall effect may dominate the near-stoichiometric samples. Our findings highlight the complications of transport-based identification of Weyl nodes but point to possible topological spin textures in GdPtSb.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Crystallographic orientation-dependent strain hardening in a precipitation-strengthened Al-Cu alloy

While the strengthening of Al-Cu alloys due to precipitation has been extensively studied, the effect of crystallographic orientation of the matrix and precipitates, as well as precipitate morphology, on the strain hardening behavior is not well understood. In this paper, we investigate this effect with in situ neutron diffraction during deformation of an Al-Cu alloy (206) after multiple aging treatments. Precipitate-dislocation interactions were found to change from precipitate shearing for microstructures predominantly containing GPI and θ" precipitates to Orowan looping for microstructures with primarily θ' and θ precipitates. Notably, significant anisotropy in strain hardening behavior was observed when θ' precipitates were present, which was attributed to crystallographic orientation dependent load transfer from the Al matrix to the θ' precipitates. The anisotropic load transfer is hypothesized to be caused by the extent of rotation of high aspect-ratio θ' precipitates, owing to dislocations looping around them during plastic deformation of the matrix. Predictions from an analytical model describing the anisotropic magnitude of load transfer from precipitate rotation agree well with experimental results, successfully validating the precipitate rotation hypothesis and explaining the anisotropic strain hardening behavior. This model allows for the prediction of stresses separately in the precipitate and matrix phases as a function of crystallographic orientation, only given the bulk mechanical properties.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Field-tuned ferroquadrupolar quantum phase transition in the insulator TmVO 4

We report results of low-temperature heat-capacity, magnetocaloric-effect, and neutron-diffraction measurements of TmVO 4 , an insulator that undergoes a continuous ferroquadrupolar phase transition associated with local partially filled 4 f orbitals of the thulium (Tm 3 + ) ions. The ferroquadrupolar transition, a realization of Ising nematicity, can be tuned to a quantum critical point by using a magnetic field oriented along the c axis of the tetragonal crystal lattice, which acts as an effective transverse field for the Ising-nematic order. In small magnetic fields, the thermal phase transition can be well described by using a semiclassical mean-field treatment of the transverse-field Ising model. However, in higher magnetic fields, closer to the field-tuned quantum phase transition, subtle deviations from this semiclassical behavior are observed, which are consistent with expectations of quantum fluctuations. Although the phase transition is driven by the local 4 f degrees of freedom, the crystal lattice still plays a crucial role, both in terms of mediating the interactions between the local quadrupoles and in determining the critical scaling exponents, even though the phase transition itself can be described via mean field. In particular, bilinear coupling of the nematic order parameter to acoustic phonons changes the spatial and temporal fluctuations of the former in a fundamental way, resulting in different critical behavior of the nematic transverse-field Ising model, as compared to the usual case of the magnetic transverse-field Ising model. Our results establish TmVO 4 as a model material and electronic nematicity as a paradigmatic example for quantum criticality in insulators.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Effects of fabric architectures on mechanical and damage behaviors in carbon/epoxy woven composites under multiaxial stress states

The mechanical properties and damage evolutions of carbon/epoxy woven fabric composites with three different fabric architectures, including one plain weave and two twill weave patterns, are experimentally investigated under multiaxial stress states. In particular, the effects of weave patterns are investigated by monotonic and cyclic off-axis tension tests. Both elastic modulus and strength degrade remarkably with increasing off-axis loading angle, while Poisson's ratio is much higher than that measured from on-axis tests and increases with loading strain gradually. Different fabric architectures show limited effects on the modulus and strength under multiaxial stress states, and they are well predicted by transformation equation and Tsai-Wu failure criteria, respectively. However, significantly different failure behaviors are observed in three fabric composites, and microstructure observation shows that fabric architecture affects the stress concentration and the damage development. Smaller crimp ratio and compacted structure postpone the damage development but result in more abrupt failure under multiaxial stress states.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of polycarboxylate ether on the expansion of ye'elimite hydration in the presence of anhydrite

Polycarboxylate ether (PCE), a commonly used superplasticizer, is known to influence the morphology of ettringite during the early hydration of C{sub 3}A- and ye'elimite-containing cements. According to existing theories, such morphological changes may be crucial to the expansive behavior of these cements. This paper studied the expansion of ye'elimite-anhydrite pastes and found the use of PCE to reduce expansion after 4 days of curing. Hydration studies were conducted by calorimetry, X-ray diffractometry, scanning electron microscopy, mercury intrusion porosimetry, inductively coupled plasma–optical emission spectrometry, and X-ray microtomography. The results show that the influences of PCE on the morphology of ettringite and the hydration of ye'elimite were quite small after 2 days. Based on the crystal growth theory, the range of pores in which ettringite can grow was calculated to explain the observed expansive behaviors. The presence of ettringite nano-crystals in aluminum hydroxide was also revealed and considered as a possible expansion mechanism.

36 MATERIALS SCIENCE↗
DOE OSTI2025

LDRD conclusion poster - Synthesizing Heterometallic Uranium Single Crystals to Understand the Influence of the Secondary Metals on Uranyl Axial Bond Strength

Understanding how transition metals influenced the chemistry of lanthanide and actinide (f-element) materials is critical for advancing separation technologies, materials design, and coordination chemistry. This project examined how incorporating first-row transition metals affected the structural and spectroscopic properties of f-element coordination polymers. In uranium(VI)-based systems synthesized with 2,6-pyridinedicarboxylic acid (PDC) ligands, single-crystal X-ray diffraction and Raman spectroscopy revealed that the presence of transition metals shortened the uranyl axial bond and induced a blue shift in its symmetric stretching vibration—evidence of increased bond strength. Electronic structure analysis, including Density of States (DOS) calculations using density functional theory (DFT), revealed altered orbital overlaps and highlighted the role of transition metal d-orbitals in modulating bonding. Raman modes were modeled using truncated structural fragments in collaboration with the University of Notre Dame, and although the predicted frequencies were lower than experimental values, they remained within expected ranges. In parallel, similar experiments with cerium (Ce) in the presence of cobalt (Co) and PDC demonstrated multi-step single-crystal-to-single-crystal transformations—behavior not observed in the uranium systems. Initial products included light yellow, orange, and polycrystalline materials. Single-crystal X-ray diffraction studies, conducted in collaboration with the Colorado School of Mines, identified the yellow phase as monometallic Ce(PDC)2(H2O)2·4H2O and the orange phase as heterometallic Ce2Co(PDC)4(H2O)6. After standing in solution for one week, both phases fully transformed into a dark yellow crystalline phase, [Ce3(PDC)5(H2O)8].6(H2O). Remarkably, this transformation was reversible—disturbing the equilibrium by removing some crystals caused reversion to the initial Ce(PDC)2(H2O)2·4H2O phase, highlighting dynamic behavior. All three structures were previously unreported. Solid-state UV-visible and Raman spectroscopy further distinguished these phases, revealing ligand-to-metal charge transfer involving Ce and characteristic d–d transitions from Co(II). The precise mechanism driving these transformations remained unclear; however, pH-dependent experiments confirmed that the transformation did not occur when the pH decreased. Overall, the project demonstrated that transition metals could be employed to tune bonding interactions, structural dimensionality, and optical properties in f-element materials, establishing new pathways for designing functional heterometallic systems. The work resulted in several novel structural discoveries and fostered productive collaborations with the University of Notre Dame and the Colorado School of Mines.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2021

Exploring Responses of Contact Kelvin Probe Force Microscopy in Triple-Cation Double-Halide Perovskites

Hybrid organic–inorganic perovskite (HOIP) solar cells have undergone unprecedentedly rapid improvement in power conversion efficiencies during the last decade, but controversy remains regarding the role of local phenomena and heterogeneity in grain by grain. These challenges in turn necessitate understanding the fundamental mechanisms operating at individual grains and exploring how these mechanisms give rise to the collective behaviors of the films. Although numerous efforts have targeted local phenomena in these materials using classical scanning probe microscopy modalities, the measurements remain difficult to interpret due to intrinsic coupling between possible ferroelectric, ion migration, bulk and surface electrochemical phenomena, and the effects of light on these behaviors. Here, we explore the electromechanical responses in (Cs 0.05 FA 0.85 MA 0.15 )Pb(I 0.85 Br 0.15 ) 3 perovskite thin film in the dark and under illumination using band excitation-piezoresponse force microscopy (BE-PFM). To identify and separate ferroic, electrostatic, and electrochemical responses, we utilize contact-Kelvin probe force microscopy (cKPFM). The cKPFM responses show weak variability with morphological features in the dark, while such variability significantly increases under illumination. Deconvolution of the cKPFM responses via principal component analysis (PCA) shows heterogeneity in grain to grain possibly due to variation in migration and segregation of halide ions in mixed perovskites at specific grains. Further, we propose an electrostatic mechanism based on the physics of semiconductors, which can directly link the observed cKPFM behaviors with the ionic and electronic density of states (DOS) and their time dynamics. Here, these findings suggest that cKPFM is a powerful probe of local ionic behaviors on the nanoscale, both in HOIPs and other materials.

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

Statistical properties of homogeneous and isotropic turbulence in He II measured via particle tracking velocimetry

Despite being a quantum two-fluid system, superfluid helium-4 (He II) is observed to behave similarly to classical fluids when a flow is generated by mechanical forcing. This similarity has brought up the feasibility of utilizing He II for high Reynolds number classical turbulence research, considering the small kinematic viscosity of He II. However, it has been suggested that the nonclassical dissipation mechanism in He II at small scales may alter its turbulent statistics and intermittency. In this work, we report our study of a nearly homogeneous and isotropic turbulence (HIT) generated by a towed grid in He II. We measure the velocity field using particle tracking velocimetry with solidified deuterium particles as the tracers. By correlating the velocities measured simultaneously on different particle trajectories or at different times along the same particle trajectory, we are able to conduct both Eulerian and Lagrangian flow analyses. Spatial velocity structure functions obtained through the Eulerian analysis show scaling behaviors in the inertial subrange similar to that for classical HIT but with enhanced intermittency. The Lagrangian analysis allows us to examine the flow statistics down to below the dissipation length scale. Interestingly, abnormal deviations from the classical scaling behaviors are observed in this regime. Lastly, we discuss how these deviations may relate to the motion of quantized vortices in the superfluid component in He II.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Observable signatures of initial state momentum anisotropies in nuclear collisions

In this work, we show that the correlation between the elliptic momentum anisotropy v 2 and the average transverse momentum [ p T ] at fixed multiplicity in small system nuclear collisions carries information on the origin of the observed momentum anisotropy. A calculation using a hybrid IP-Glasma+ music +UrQMD model that includes contributions from final state response to the initial geometry as well as initial state momentum anisotropies of the color glass condensate predicts a characteristic sign change of the correlator ρ ^ ( v 2 2 , [ p T ] ) as a function of charged particle multiplicity in p + Au and d + Au collisions at s = 200 GeV , and p + Pb collisions at s = 5.02 TeV . This sign change is absent in calculations without initial state momentum anisotropies. The model further predicts a qualitative difference between the centrality dependence of ρ ^ ( v 2 2 , [ p T ] ) in Au + Au collisions at s = 200 GeV and Pb + Pb collisions at s = 5.02 TeV , with only the latter showing a sign change in peripheral events. Predictions for O + O collisions at different collision energy show a similar behavior. Experimental observation of these distinct qualitative features of ρ ^ ( v 2 2 , [ p T ] ) in small and large systems would constitute strong evidence for the presence and importance of initial state momentum anisotropies predicted by the color glass condensate effective theory.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Magnetic Properties of Tetravalent Pu in the Perovskites BaPuO 3 and SrPuO 3

BaPuO 3 and SrPuO 3 were synthesized, and their structures were refined in the orthorhombic space group Pbnm , a common distortion from the classic $Pm\bar{3}$m over barm cubic perovskite. Magnetic-susceptibility measurements, obtained as a function of temperature over the range of 1.8-320 K, exhibit temperature-dependent behavior, with evidence of long-range magnetic order at temperatures higher than their lanthanide and actinide analogues: BaPuO 3 below 164(1) K and SrPuO 3 below 76(1) K. Effective moments of 1.66(10)μ B for BaPuO 3 and 1.84(8)μ B for SrPuO 3 were obtained by fitting their paramagnetic susceptibilities using the Curie-Weiss law. Further, both are below the free-ion value of 2.68 μ B expected for a Pu 4+ 5 $\mid$ 4 ground level. Ab initio wave function calculations, performed at the relativistic complete active space level including spin-orbit coupling and with an embedded cluster approach that neglects interactions between Pu centers, were used to generate embedded-cluster Pu 4+ magnetic susceptibilities. The calculations agree well with experimental data at higher temperatures, providing evidence that a single-ion representation is sufficient to account for the observed paramagnetic behavior without the need to invoke charge transfer, disproportionation, strong covalent bonding, or other more complex electronic behavior.

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

Defect-mediated diffusion of implanted Mg in GaN: Suppressing dopant redistribution by sequential thermal and microwave annealing

The diffusion behavior of Mg in Mg/N co-implanted GaN is investigated in response to a set of annealing conditions and methodologies, namely, 1000 °C/30 min thermal anneal, by high-temperature pulsed gyrotron microwave annealing at 1420 or 1500 °C, or by thermal and microwave annealing, sequentially. After 1000 °C annealing, the diffusion of Mg in GaN is found to be negligible, as measured by secondary ion mass spectrometry. Annealing by gyrotron microwave annealing alone induces the diffusion of Mg at a rate on the order of 10 −12 cm 2 /s. However, the use of a thermal anneal before microwave gyrotron annealing reduces this rate by an order of magnitude to 10 −13 cm 2 /s. We find that a model that considers Mg diffusion from an inhomogeneous medium that contains a defect-rich implanted region near-surface to a relatively pristine region below the implant range better explains the observed diffusion behavior than a conventional model that assumes a homogeneous medium. By analyzing the diffusion behavior using the Boltzmann–Matano method, we present a discussion of reduction in [V Ga ] by thermal annealing at 1000 °C, leading to a suppressed diffusion coefficient during subsequent high-temperature annealing relative to diffusion after 1420/1500 °C annealing alone. This effect holds potential for improvement in the precision of selectively doped regions for future applications based on the (Al)GaN material system. An improved field profile control in real devices can increase the breakdown and current-handling capabilities in power electronic applications.

Meyers, V.↗
DOE OSTI2022

Universal relations for neutron star 𝑓-mode and 𝑔-mode oscillations

Among the various oscillation modes of neutron stars, 𝑓- and 𝑔- modes are the most likely to be ultimately observed in binary neutron star mergers due to their relatively large coupling and shared frequencies with tidal excitations. The 𝑓-mode frequency and damping time are known to correlate in normal neutron stars with their compactness, and previous fits to hadronic stars are extended and shown to be valid for an extremely broad sampling of equations of state using a piecewise polytropic parametrization scheme for hadrons and a constant sound-speed parametrization for quark matter. Separate fits applicable to quark (self-bound) stars are improved. Much more significant correlations exist with tidal deformability, and therefore with moment of inertia and quadrupole moment. It is conclusively demonstrated that these correlations are the same for all types of stars, whether hadronic, hybrid, or pure quark, and its accuracy is quantified. A novel 1-node branch of the 𝑓-mode that occurs in low-mass hybrid stars in a narrow mass range just beyond the critical mass necessary for a phase transition to appear is identified. This 1-node branch shows the largest, but still small, deviations from the universal correlation for any configuration. It is characterized by a nonmonotonic relation between neutron star mass and 𝑓-mode frequency, in contrast to the behavior otherwise observed in normal, quark and hybrid stars. The 𝑔-mode only exists in matter with a nonbarotropic equation of state involving temperature, chemical potential or composition (such as being out of beta equilibrium), or a phase transition in barotropic matter. Here, the 𝑔-mode therefore could serve as a probe for studying phase transitions in hybrid stars. In contrast with the 𝑓-mode, 𝑔-mode frequencies do not correlate well with tidal deformability, but depend strongly on properties of the transition (the density and the magnitude of the discontinuity) at the transition. Imposing causality and maximum mass constraints, a fit involving neutron star and phase transition properties is found and the 𝑔-mode frequency is determined to have an upper bound of about 1.25 kHz. However, if the sound speed 𝑐𝑠 in the inner core at densities above the phase transition density is restricted to 𝑐$^{2}_{𝑠}$ ≤1/3, 𝑔-mode frequencies can only reach about 0.8 kHz, which are significantly lower than 𝑓-mode frequencies (1.3–2.8 kHz). 𝑔-mode gravitational wave damping times are found to be extremely long, >10 4 s (102 s) in the inner core with 𝑐$^{2}_{𝑠}$ ≤1/3 (1), in comparison with 𝑓-mode damping times (0.1–1 s).

Composition of astronomical objects↗
DOE OSTI2022

Technical note: Using long short-term memory models to fill data gaps in hydrological monitoring networks

Abstract. Quantifying the spatiotemporal dynamics in subsurface hydrological flows over a long time window usually employs a network of monitoring wells. However, such observations are often spatially sparse with potential temporal gaps due to poor quality or instrument failure. In this study, we explore the ability of recurrent neural networks to fill gaps in a spatially distributed time-series dataset. We use a well network that monitors the dynamic and heterogeneous hydrologic exchanges between the Columbia River and its adjacent groundwater aquifer at the U.S. Department of Energy's Hanford site. This 10-year-long dataset contains hourly temperature, specific conductance, and groundwater table elevation measurements from 42 wells with gaps of various lengths. We employ a long short-term memory (LSTM) model to capture the temporal variations in the observed system behaviors needed for gap filling. The performance of the LSTM-based gap-filling method was evaluated against a traditional autoregressive integrated moving average (ARIMA) method in terms of error statistics and accuracy in capturing the temporal patterns of river corridor wells with various dynamics signatures. Our study demonstrates that the ARIMA models yield better average error statistics, although they tend to have larger errors during time windows with abrupt changes or high-frequency (daily and subdaily) variations. The LSTM-based models excel in capturing both high-frequency and low-frequency (monthly and seasonal) dynamics. However, the inclusion of high-frequency fluctuations may also lead to overly dynamic predictions in time windows that lack such fluctuations. The LSTM can take advantage of the spatial information from neighboring wells to improve the gap-filling accuracy, especially for long gaps in system states that vary at subdaily scales. While LSTM models require substantial training data and have limited extrapolation power beyond the conditions represented in the training data, they afford great flexibility to account for the spatial correlations, temporal correlations, and nonlinearity in data without a priori assumptions. Thus, LSTMs provide effective alternatives to fill in data gaps in spatially distributed time-series observations characterized by multiple dominant frequencies of variability, which are essential for advancing our understanding of dynamic complex systems.

54 ENVIRONMENTAL SCIENCES↗