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At least 235 records · Page 13
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

δ 2 H isotopic offsets in xylem water measurements under cryogenic vacuum distillation: Quantifying and correcting wood‐water hydrogen exchange influences

Stable isotopes δ 18 O and δ 2 H are used to infer vegetation water sources. In some studies, significant xylem water δ 2 H offsets from potential source waters have been observed. The offsets appear to be more prevalent with cryogenic vacuum distillation (CVD) of plant water. Hypothesized mechanisms for these offsets include changes during plant water uptake and transport, and methodological problems. We propose that a large portion of the offsets are due to hydrogen isotope exchange between xylem water and non-crystalline hydroxyl groups of wood cellulose and hemicellulose during CVD. We present a method for estimating the hypothesized isotopic exchange between wood tissues and water, which is the result of Rayleigh and equilibrium fractionation. To estimate the exchange, we use published wood properties for North American tree species and isotope chemical relationships as a function of moisture content, CVD temperature and water extraction efficiency. A simple model of exchange between xylem water and hydroxyl groups captures the range of observations in studies in which CVD and non-CVD methods were compared. To evaluate the model, we compared observed δ 2 H offsets (sw-excess) values from two field datasets (90°C, n = 364, and 170°C, n = 43) to δ 2 H offsets estimated with our chemical model. We found good agreement between observed and estimated δ 2 H offsets for samples extracted at 90°C (r 2 = 0.69) but not for samples extracted at 170°C (r 2 = 0.20). The offset may be eliminated by increasing the extraction temperature to 229°C or by adding a standard sufficient to raise the moisture content to >150%. A correction can also be approximated by applying a theoretical calculation based on the extraction temperature, moisture content and water extraction efficiency.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Isotope effects and Alfvén eigenmode stability in JET H, D, T, DT, and He plasmas

While much about Alfvén eigenmode (AE) stability has been explored in previous and current tokamaks, open questions remain for future burning plasma experiments, especially regarding exact stability threshold conditions and related isotope effects; the latter, of course, requiring good knowledge of the plasma ion composition. In the JET tokamak, eight in-vessel antennas actively excite stable AEs, from which their frequencies, toroidal mode numbers, and net damping rates are assessed. The effective ion mass can also be inferred using measurements of the plasma density and magnetic geometry. Thousands of AE stability measurements have been collected by the Alfvén Eigenmode Active Diagnostic in hundreds of JET plasmas during the recent Hydrogen, Deuterium, Tritium, DT, and Helium-4 campaigns. In this novel AE stability database, spanning all four main ion species, damping is observed to decrease with increasing Hydrogenic mass, but increase for Helium, a trend consistent with radiative damping as the dominant damping mechanism. These data are important for confident predictions of AE stability in both non-nuclear (H/He) and nuclear (D/T) operations in future devices. In particular, if radiative damping plays a significant role in overall stability, some AEs could be more easily destabilized in D/T plasmas than their H/He reference pulses, even before considering fast ion and alpha particle drive. Active MHD spectroscopy is also employed on select HD, HT, and DT plasmas to infer the effective ion mass, thereby closing the loop on isotope analysis and demonstrating a complementary method to typical diagnosis of the isotope ratio.

Alfvén eigenmodes↗
DOE OSTI2021

Phase Diagram of a Deep Potential Water Model

Using the Deep Potential methodology, we construct a model that reproduces accurately the potential energy surface of the SCAN approximation of density functional theory for water, from low temperature and pressure to about 2400 K and 50 GPa, excluding the vapor stability region. The computational efficiency of the model makes it possible to predict its phase diagram using molecular dynamics. Satisfactory overall agreement with experimental results is obtained. Here, the fluid phases, molecular and ionic, and all the stable ice polymorphs, ordered and disordered, are predicted correctly, with the exception of ice III and XV that are stable in experiments, but metastable in the model. The evolution of the atomic dynamics upon heating, as ice VII transforms first into ice VII" and then into an ionic fluid, reveals that molecular dissociation and breaking of the ice rules coexist with strong covalent fluctuations, explaining why only partial ionization was inferred in experiments.

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

Evidence and modeling of turbulence bifurcation in L-mode confinement transitions on Alcator C-Mod

Analysis and modeling of rotation reversal hysteresis experiments show that a single turbulent bifurcation is responsible for the Linear to Saturated Ohmic Confinement (LOC/SOC) transition and concomitant intrinsic rotation reversal on Alcator C-Mod. Plasmas on either side of the reversal exhibit different toroidal rotation profiles and therefore different turbulence characteristics despite the profiles of density and temperature, which are indistinguishable within measurement uncertainty. Elements of this bifurcation are also shown to persist for auxiliary heated L-modes. The deactivation of subdominant (in the linear growth rate and contribution to heat transport) ion temperature gradient and trapped electron mode instabilities is identified as the only possible change in turbulence within a reduced quasilinear transport model across the reversal, which is consistent with the measured profiles and inferred heat and particle fluxes. Experimental constraints on a possible change from strong to weak turbulence, outside the description of the quasilinear model, are also discussed. These results indicate an explanation for the LOC/SOC transition that provides a mechanism for the hysteresis through the dynamics of subdominant modes and changes in their relative populations and does not involve a change in the most linearly unstable ion-scale drift-wave instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

In-plane multi-q magnetic ground state of Na 3 Co 2 SbO 6

We report Na 3 Co 2 SbO 6 is a potential Kitaev magnet with a monoclinic layered crystal structure. Recent investigations of the C3-symmetric sister compound Na 2 Co 2 TeO 6 have uncovered a unique triple-q magnetic ground state, as opposed to a single-q (zigzag) one, prompting us to examine the influence of the reduced structural symmetry of Na 3 Co 2 SbO 6 on its ground state. Neutron diffraction data obtained on a twin-free crystal reveal that the ground state remains a multi-q state, despite the system's strong non-C 3 -symmetric anisotropy. This robustness of multi-q orders suggests that they are driven by a common mechanism in the honeycomb cobaltates, such as interactions beyond the bilinear order. Spin-polarized neutron diffraction results show that the ordered moments are entirely in plane, with each staggered component orthogonal to the propagating wave vector. The inferred ground state appears more compatible with the so-called XXZ easy-plane anisotropy than the Kitaev anisotropy, and features unequal ordered moments reduced by strong quantum fluctuations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Combining Computational Modeling with Reaction Kinetics Experiments for Elucidating the In Situ Nature of the Active Site in Catalysis

Microkinetic modeling based on density functional theory (DFT) derived energetics is important for addressing fundamental questions in catalysis. The quantitative fidelity of microkinetic models (MKMs), however, is often insufficient to conclusively infer the mechanistic details of a specific catalytic system. Here, this can be attributed to a number of factors such as an incorrect model of the active site for which DFT calculations are performed, deficiencies in the hypothesized reaction mechanism, inadequate consideration of the surface environment under reaction conditions, and intrinsic errors in the DFT exchange-correlation functional. Despite these limitations, we aim at developing a rigorous understanding of the reaction mechanism and of the nature of the active site for heterogeneous catalytic chemistries under reaction conditions. By achieving parity between experimental and modeling outcomes through robust parameter estimation and by ensuring coverage-consistency between DFT calculations and MKM predictions, it is possible to systematically refine the mechanistic model and, thereby, our understanding of the catalytic active site in situ.

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

Disentangling top-down drivers of mortality underlying diel population dynamics of Prochlorococcus in the North Pacific Subtropical Gyre

Photosynthesis fuels primary production at the base of marine food webs. Yet, in many surface ocean ecosystems, diel-driven primary production is tightly coupled to daily loss. This tight coupling raises the question: which top-down drivers predominate in maintaining persistently stable picocyanobacterial populations over longer time scales? Motivated by high-frequency surface water measurements taken in the North Pacific Subtropical Gyre (NPSG), we developed multitrophic models to investigate bottom-up and top-down mechanisms underlying the balanced control of Prochlorococcus populations. Here, we find that incorporating photosynthetic growth with viral- and predator-induced mortality is sufficient to recapitulate daily oscillations of Prochlorococcus abundances with baseline community abundances. In doing so, we infer that grazers in this environment function as the predominant top-down factor despite high standing viral particle densities. The model-data fits also reveal the ecological relevance of light-dependent viral traits and non-canonical factors to cellular loss. Finally, we leverage sensitivity analyses to demonstrate how variation in life history traits across distinct oceanic contexts, including variation in viral adsorption and grazer clearance rates, can transform the quantitative and even qualitative importance of top-down controls in shaping Prochlorococcus population dynamics.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2026

Learning turbulent flows with generative models for super resolution and sparse flow reconstruction

Neural operators are promising surrogates for dynamical systems but when trained with standard L 2 losses they tend to oversmooth fine-scale turbulent structures. Here, we show that combining operator learning with generative modeling overcomes this limitation. We consider three practical turbulent-flow challenges where conventional neural operators fail: spatio-temporal super-resolution, forecasting, and sparse flow reconstruction. For Schlieren jet super-resolution, an adversarially trained neural operator (adv-NO) reduces the energy-spectrum error by 15 × while preserving sharp gradients at neural operator-like inference cost. For 3D homogeneous isotropic turbulence, adv-NO trained on only 160 timesteps from a single trajectory forecasts accurately for five eddy-turnover times and offers 114 × wall-clock speed-up at inference than the baseline diffusion-based forecasters, enabling near-real-time rollouts. For reconstructing cylinder wake flows from highly sparse Particle Tracking Velocimetry-like inputs, a conditional generative model infers full 3D velocity and pressure fields with correct phase alignment and statistics. These advances enable accurate reconstruction and forecasting at low compute cost, bringing near-real-time analysis and control within reach in experimental and computational fluid mechanics.

Fluid dynamics↗
DOE OSTI2024

A high internal heat flux and large core in a warm Neptune exoplanet

Interactions between exoplanetary atmospheres and internal properties have long been proposed to be drivers of the inflation mechanisms of gaseous planets and apparent atmospheric chemical disequilibrium conditions. However, transmission spectra of exoplanets have been limited in their ability to observationally confirm these theories owing to the limited wavelength coverage of the Hubble Space Telescope (HST) and inferences of single molecules, mostly H 2 O. Here, in this work, we present the panchromatic transmission spectrum of the approximately 750 K, low-density, Neptune-sized exoplanet WASP-107b using a combination of HST Wide Field Camera 3 (WFC3) and JWST Near-Infrared Camera (NIRCam) and Mid-Infrared Instrument (MIRI). From this spectrum, we detect spectroscopic features resulting from H 2 O (21σ), CH 4 (5σ), CO (7σ), CO 2 (29σ), SO 2 (9σ) and NH 3 (6σ). The presence of these molecules enables constraints on the atmospheric metal enrichment (M/H is 10–18× solar), vertical mixing strength (log 10 K zz = 8.4–9.0 cm 2 s -1 ) and internal temperature (>345 K). The high internal temperature is suggestive of tidally driven inflation4 acting on a Neptune-like internal structure, which can naturally explain the large radius and low density of the planet. These findings suggest that eccentricity-driven tidal heating is a critical process governing atmospheric chemistry and interior-structure inferences for most of the cool (<1,000 K) super-Earth-to-Saturn-mass exoplanet population.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

The advancing wave front on a sloping channel covered by a rod canopy following an instantaneous dam break

The drag coefficient Cd for a rigid and uniformly distributed rod canopy covering a sloping channel following the instantaneous collapse of a dam was examined using flume experiments. The measurements included space x and time t high resolution images of the water surface h(x, t) for multiple channel bed slopes So and water depths behind the dam Ho along with drag estimates provided by sequential load cells. Using these data, an analysis of the Saint-Venant equation (SVE) for the front speed was conducted using the diffusive wave approximation. An inferred Cd=0.4 from the h(x, t) data near the advancing front region, also confirmed by load cell measurements, is much reduced relative to its independently measured steady-uniform flow case. This finding suggests that drag reduction mechanisms associated with transients and flow disturbances are more likely to play a dominant role when compared to conventional sheltering or blocking effects on Cd examined in uniform flow. The increased air volume entrained into the advancing wave front region as determined from an inflow–outflow volume balance partly explains the Cd reduction from unity.

Mechanics↗
DOE OSTI2025

Competition between roughness and strength for scale-dependent surfaces

Rocks famously have scale-dependent strength, yet the actual dependence is notoriously hard to measure or incorporate into any theoretical framework. Natural rough surfaces present an opportunity to solve the problem. Surfaces sliding in shear evolve as protrusions collide. These asperities can deform or break, thus creating a new surface shape. In particular, natural surfaces have roughness at all scales as well as scale-dependent strength. Based on a scaling analysis, we have previously suggested that the scale-dependent aspect ratio of steady-state surfaces should be proportional to the scale-dependent shear strain at yield. If true, scale-dependent strength could easily be inferred from natural surfaces. Thus, moving beyond the scaling argument to a rigorous treatment of scale-dependent strength for multiscale rough surfaces in shear is important. However, analytic frameworks for analyzing multiscale problems are challenging, as conventional continuum mechanics typically involves a single value for a material property across scales. Here, in this work, we build on the formalism of Persson (2001) that presents a method to compute contact area for rough surfaces with a prescribed topographic spectrum using a stochastic differential equation. The Persson formalism allows for plastic yield under normal loading of otherwise elastic materials and leaves open the possibility of scale-dependent yield stress. In this study, we pursue this route to develop a theory and numerical results for the yielding of a rough, elastoplastic surface with scale-dependent yield stress. Here, we examine surfaces for which the power spectrum of the topography 𝐶 and yield stress 𝑌 follow power laws as a function of scale 𝜆, such that 𝐶∼𝜆 −𝑚 and 𝑌∼𝜆 −𝑛 , respectively. In this formal treatment of the problem, we focus on surfaces in contact and the resulting yield and do not impose shear. Numerical solutions show that the deviation from the elastic scaling solution is bounded as expected by the prior 1D heuristic scaling argument that anticipates the Hurst exponent as 1−𝑛. We also show that the plasticity is expected to erode the contacts if 𝑚 is lower than 𝑛−3, which corresponds to a Hurst exponent lower than 1−𝑛/2. This result is rigorously sound for 2D, i.e., realistic surfaces, and quantitatively different than the prior scaling argument. The theory now permits a correspondingly quantitative approach to interpreting natural surfaces.

elasticity↗
DOE OSTI2020

Long-term Photometry and Orbital Period Change of the W UMa–type Binary v0599 Aur: Evidence of about 11 yr Magnetic-activity Cycle

Combining all available photometric data from various surveys and literature with our observations, we present 10 sets of light curves for the eclipsing binary V0599 Aur covering a timescale of 20 yr. During the last two decades, the O’Connell effect continuously varied and went through at least two flips between positive and negative effects. The photometric solutions from our two sets of multicolored light curves show that V0599 Aur is a W-type shallow contact binary with an active spot on the secondary. Its absolute parameters are determined by combining the Gaia distance with the photometric solutions. The period investigation reveals a secular decrease and a cyclic variation in its orbital period. The former mainly originates from the mass transfer from the more massive secondary to the less massive primary. The latter can be preferentially explained as a result of cyclic magnetic activity of the secondary, with three observational supports: (1) the existence and evolution of an active spot suggested by the long-term photometry, (2) periodic variation in both the O’Connell effect and relative luminosity, and (3) weak correlations between O’Connell effect/relative luminosity changes and cyclic period variation. Together with the cyclic period variation and its theoretical reasonability by Applegate’s mechanism, we suggest that the secondary of V0599 Aur is a solar-type magnetic-activity star with an approximately 11 yr active cycle. Furthermore, by combining the secular period decrease with the Roche-lobe model, we infer that V0599 Aur is evolving from the marginal contact state controlled by thermal relaxation oscillation theory to the overcontact state.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Functional capacities of microbial communities to carry out large scale geochemical processes are maintained during ex situ anaerobic incubation

Mechanisms controlling CO 2 and CH 4 production in wetlands are central to understanding carbon cycling and greenhouse gas exchange. However, the volatility of these respiration products complicates quantifying their rates of production in the field. Attempts to circumvent the challenges through closed system incubations, from which gases cannot escape, have been used to investigate bulk in situ geochemistry. Efforts towards mapping mechanistic linkages between geochemistry and microbiology have raised concern regarding sampling and incubation-induced perturbations. Microorganisms are impacted by oxygen exposure, increased temperatures and accumulation of metabolic products during handling, storage, and incubation. We probed the extent of these perturbations, and their influence on incubation results, using high-resolution geochemical and microbial gene-based community profiling of anaerobically incubated material from three wetland habitats across a permafrost peatland. We compared the original field samples to the material anaerobically incubated over 50 days. Bulk geochemistry and phylum-level microbiota in incubations largely reflected field observations, but divergence between field and incubations occurred in both geochemistry and lineage-level microbial composition when examined at closer resolution. Despite the changes in representative lineages over time, inferred metabolic function with regards to carbon cycling largely reproduced field results suggesting functional consistency. Habitat differences among the source materials remained the largest driver of variation in geochemical and microbial differences among the samples in both incubations and field results. While incubations may have limited usefulness for identifying specific mechanisms, they remain a viable tool for probing bulk-scale questions related to anaerobic C cycling, including CO 2 and CH 4 dynamics.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

SPANet: Generalized permutationless set assignment for particle physics using symmetry preserving attention

The creation of unstable heavy particles at the Large Hadron Collider is the most direct way to address some of the deepest open questions in physics. Collisions typically produce variable-size sets of observed particles which have inherent ambiguities complicating the assignment of observed particles to the decay products of the heavy particles. Current strategies for tackling these challenges in the physics community ignore the physical symmetries of the decay products and consider all possible assignment permutations and do not scale to complex configurations. Attention based deep learning methods for sequence modelling have achieved state-of-the-art performance in natural language processing, but they lack built-in mechanisms to deal with the unique symmetries found in physical set-assignment problems. We introduce a novel method for constructing symmetry-preserving attention networks which reflect the problem's natural invariances to efficiently find assignments without evaluating all permutations. This general approach is applicable to arbitrarily complex configurations and significantly outperforms current methods, improving reconstruction efficiency between 19% - 35% on typical benchmark problems while decreasing inference time by two to five orders of magnitude on the most complex events, making many important and previously intractable cases tractable. A full code repository containing a general library, the specific configuration used, and a complete dataset release, are available at https://github.com/Alexanders101/SPANet

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2023

Organic matter sulfurization and organic carbon burial in the Mesoproterozoic

Throughout the Proterozoic Era, sedimentary organic carbon burial helped set the pace of global oxygenation and acted as a major modulator of atmospheric CO 2 and climate. Although Proterozoic rocks generally contain low concentrations of organic matter (OM), there are key exceptions to this rule, including the relatively OM-rich Arctic Bay shales from Baffin Island, Canada (Bylot Supergroup, Borden Basin, ~1.05 Ga). The mechanisms driving elevated OM concentrations in these and other Proterozoic shales remain poorly understood. In the Mesozoic and Cenozoic, organic matter sulfurization can be a major driver of enhanced OM burial across a range of redox conditions comparable to those inferred for many Proterozoic environments. Therefore, in this study, we evaluate the role of sulfurization in driving OM preservation in the Mesoproterozoic Borden Basin and discuss its relevance to Proterozoic systems in general. We present the first evidence for syngenetic-to-early-diagenetic OM sulfurization in a Proterozoic basin, which begins to fill a several-billion-year gap in our record of organic S across Earth history. We find that OM sulfurization was particularly extensive in shales from a relatively shallow-water section (Alpha River) but less extensive in shales deposited in deeper water (Shale Valley), which is consistent with models that infer sulfidic ‘wedges’ or O 2 -minimum-zone-type structures on shelf margins at least intermittently at this time. At the shallower site, organic S and pyrite are similarly 34 S-depleted and thus likely formed at roughly the same time near the sediment–water interface under conditions previously interpreted to have been ferruginous to intermittently sulfidic. In contrast, at the deeper-water site, large S-isotope differences between pyrite and organic S along with low apparent OM sulfurization intensities indicate that pyrite formation was favored over OM sulfurization during early sedimentation under variable but primarily ferruginous conditions. Although Mesoproterozoic biomass can be substantially sulfurized, indicators of sulfurization intensity are not correlated with OM concentrations, and therefore sulfurization does not appear to have been the primary driver of enhanced OM concentrations in Arctic Bay Formation shales. The link between sulfurization and total OM preservation may have been modulated during the deposition of Arctic Bay Formation shales by differences in iron availability, nutrient cycling, and particle dynamics in the Mesoproterozoic.

58 GEOSCIENCES↗
DOE OSTI2021

Peeking Between the Pulses: The Far-UV Spectrum of the Previously Unseen White Dwarf in AR Scorpii

The compact object in the interacting binary AR Sco has widely been presumed to be a rapidly rotating, magnetized white dwarf (WD), but it has never been detected directly. Isolating its spectrum has proven difficult because the spin-down of the WD generates pulsed synchrotron radiation that far outshines the WD's photosphere. As a result, a previous study of AR Sco was unable to detect the WD in the averaged far-ultraviolet spectrum from a Hubble Space Telescope (HST) observation. In an effort to unveil the WD's spectrum, we reanalyze these HST observations by calculating the average spectrum in the troughs between synchrotron pulses. We identify weak spectral features from the previously unseen WD and estimate its surface temperature to be 11,500 ± 500 K. Additionally, during the synchrotron pulses, we detect broad Lyα absorption consistent with hot WD spectral models. We infer the presence of a pair of hotspots, with temperatures between 23,000 and 28,000 K, near the magnetic poles of the WD. As the WD is not expected to be accreting from its companion, we describe two possible mechanisms for heating the magnetic poles. Here, the Lyα absorption of the hotspots appears relatively undistorted by Zeeman splitting, constraining the WD's field strength to be ≲100 MG, but the data are insufficient to search for the subtle Zeeman splits expected at lower field strengths.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Gene co-expression network analysis in zebrafish reveals chemical class specific modules

Zebrafish is a popular animal model used for high-throughput screening of chemical hazards, however, investigations of transcriptomic mechanisms of toxicity are still needed. Here, our goal was to identify genes and biological pathways that Aryl Hydrocarbon Receptor 2 (AHR2) Activators and flame retardant chemicals (FRCs) alter in developing zebrafish. Taking advantage of a compendium of phenotypically-anchored RNA sequencing data collected from 48-h post fertilization (hpf) zebrafish, we inferred a co-expression network that grouped genes based on their transcriptional response. Genes responding to the FRCs and AHR2 Activators localized to distinct regions of the network, with FRCs inducing a broader response related to neurobehavior. AHR2 Activators centered in one region related to chemical stress responses. We also discovered several highly co-expressed genes in this module, including cyp1a, and we subsequently show that these genes are definitively within the AHR2 signaling pathway. Systematic removal of the two chemical types from the data, and analysis of network changes identified neurogenesis associated with FRCs, and regulation of vascular development associated with both chemical classes. We also identified highly connected genes responding specifically to each class that are potential biomarkers of exposure. Overall, we created the first zebrafish chemical-specific gene co-expression network illuminating how chemicals alter the transcriptome relative to each other. In addition to our conclusions regarding FRCs and AHR2 Activators, our network can be leveraged by other studies investigating chemical mechanisms of toxicity.

59 BASIC BIOLOGICAL SCIENCES↗