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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 523 records · Page 29
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Quantifying Dam-Induced Fluctuations in Streamflow Frequencies Across the Colorado River Basin

Periodic fluctuations in natural streamflow are a major driver of river ecosystem dynamics and water resource management. However, most U.S. rivers are impacted both by long-term hydroclimatic trends and dams that alter flow variability. Despite these impacts, it remains largely unexplored how dams affect the dominant frequencies of natural streamflow over a highly regulated river network. We investigated the entire Colorado River Basin (CRB) to understand how the annual (10–14 months) and multi-annual (24–60 months) frequencies in natural flow regimes have been progressively altered by dams. Given the significant alteration over the CRB, we captured changes in streamflow frequencies between naturalized and observed monthly flows via wavelet analysis. Based on the similarity of changes in streamflow frequencies (annual and multi-annual) over the last 30 years, sections of the riverine network were classified into four groups. The annual frequency was relatively well preserved downstream of Hoover Dam, while showing a systematic trend of alteration downstream of Glen Canyon Dam until Hoover Dam. Meanwhile, the multi-annual frequency component was highly altered for the entire Lower Colorado main stem (i.e., downstream of Glen Canyon). We also identified dams with significant impacts on streamflow frequency by comparing wavelet coherence estimates. This study advances the notion that dams fundamentally alter river flow regimes across multiple frequencies and with varying amplitudes over time and space, with alteration propagating – or being dampened – by both hydroclimatic fluctuations and water resource management.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

2D Reconstruction of Magnetotail Electron Diffusion Region Measured by MMS

Models for collisionless magnetic reconnection in near-Earth space are distinctly characterized as 2D or 3D. In 2D kinetic models, the frozen-in law for the electron fluid is usually broken by laminar dynamics involving structures set by the electron orbit size, while in 3D models the width of the electron diffusion region is broadened by turbulent effects. We present an analysis of in situ spacecraft observations from the Earth's magnetotail of a fortuitous encounter with an active reconnection region, mapping the observations onto a 2D spatial domain. While the event likely was perturbed by low-frequency 3D dynamics, the structure of the electron diffusion region remains consistent with results from a 2D kinetic simulation. As such, the event represents a unique validation of 2D kinetic, and laminar reconnection models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Slow Electron Holes in the Earth's Magnetosheath

Here, we present a statistical analysis of electrostatic solitary waves observed aboard Magnetospheric Multiscale spacecraft in the Earth's magnetosheath. Applying single-spacecraft interferometry to several hundred solitary waves collected in about 2-minute interval, we show that almost all of them have the electrostatic potential of positive polarity and propagate quasi-parallel to the local magnetic field with plasma frame velocities of the order of 100 km/s. The solitary waves have typical parallel half-widths from 10 to 100 m that is between 1 and 10 Debye lengths and typical amplitudes of the electrostatic potential from 10 to 200 mV that is between 0.01% and 1% of local electron temperature. The solitary waves are associated with quasi-Maxwellian ion velocity distribution functions, and their plasma frame velocities are comparable with ion thermal speed and well below electron thermal speed. We argue that the solitary waves of positive polarity are slow electron holes and estimate the time scale of their acceleration, which occurs due to interaction with ions, to be of the order of one second. The observation of slow electron holes indicates that their lifetime was shorter than the acceleration time scale. We argue that multi-spacecraft interferometry applied previously to these solitary waves is not applicable because of their too-short spatial scales. The source of the slow electron holes and the role in electron-ion energy exchange remain to be established.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Multi-year incubation experiments boost confidence in model projections of long-term soil carbon dynamics

Abstract Global soil organic carbon (SOC) stocks may decline with a warmer climate. However, model projections of changes in SOC due to climate warming depend on microbially-driven processes that are usually parameterized based on laboratory incubations. To assess how lab-scale incubation datasets inform model projections over decades, we optimized five microbially-relevant parameters in the Microbial-ENzyme Decomposition (MEND) model using 16 short-term glucose (6-day), 16 short-term cellulose (30-day) and 16 long-term cellulose (729-day) incubation datasets with soils from forests and grasslands across contrasting soil types. Our analysis identified consistently higher parameter estimates given the short-term versus long-term datasets. Implementing the short-term and long-term parameters, respectively, resulted in SOC loss (–8.2 ± 5.1% or –3.9 ± 2.8%), and minor SOC gain (1.8 ± 1.0%) in response to 5 °C warming, while only the latter is consistent with a meta-analysis of 149 field warming observations (1.6 ± 4.0%). Comparing multiple subsets of cellulose incubations (i.e., 6, 30, 90, 180, 360, 480 and 729-day) revealed comparable projections to the observed long-term SOC changes under warming only on 480- and 729-day. Integrating multi-year datasets of soil incubations (e.g., > 1.5 years) with microbial models can thus achieve more reasonable parameterization of key microbial processes and subsequently boost the accuracy and confidence of long-term SOC projections.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Neutron spectroscopy of plutonium using a handheld detection system

The ability to distinguish multiple forms of plutonium from one another, such as oxide and metal, is paramount in areas of nuclear nonproliferation and international safeguards. In its metal form, plutonium can be readily used in a nuclear weapon, while oxide forms are associated with nuclear reactor fuel. Oxide-based plutonium forms emit neutrons with an energy spectrum that is significantly different from the fission neutrons that are emitted from plutonium metal. Organic scintillation detectors output pulses that are proportional to the neutron energy deposited, and therefore present a means of distinguishing these plutonium forms based on their energy spectra. In this work, metal and oxide forms of plutonium were measured using a handheld detection system based on an organic glass scintillator. Monte Carlo modeling of these experiments was performed to provide insight into the origin of the features in the observed light output spectra. Through analysis of multiple regions of these spectra, in a matter of minutes we were able to unambiguously discriminate oxide and metal plutonium forms from one another and from a plutonium-beryllium neutron source, which was considered for comparison because these sources are commonly used in industrial applications. The ability to discriminate weapons-usable material from nuclear reactor fuel has applications in nuclear treaty verification and safeguards.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
DOE OSTI2020

The charge reduction rate for multiply charged polymer ions via ion–ion recombination at atmospheric pressure

The charge reduction of multiply charged macromolecular ions via recombination with small ions in the gas phase is commonly employed to modulate the charge on macromolecules prior to mass spectrometric and mobility analyses. We employ a recently developed continuum-Molecular Dynamics (MD) calculation approach to determine the recombination rate coefficient of multiply charged (1 to 7 excess positive charged) polyethylene glycol ions (mass of 4600 Da) with smaller singly charged anions, modeled as NO 2 – ions. The continuum-MD approach accounts explicitly for the influence of the background gas on the recombination process, accounts explicitly for ion translational, vibrational, and rotational motion, and enables recombination rate coefficient calculation in nitrogen near atmospheric pressure, wherein neither low pressure nor high pressure recombination theories are strictly applicable. Continuum-MD simulations yield recombination rate coefficients near 3.9 × 10 –14 m 3 s –1 for singly charged ions, increasing to 3.0 × 10 –11 m 3 s –1 for the +7 ion. Pre-existing collision rate coefficient expressions for rigid ions are found to be within a factor of 2–5 of calculations for all charge states, but their use requires knowledge of an appropriate collision distance, which is not well-defined for flexible polymer ions. Continuum-MD-inferred rate coefficients are incorporated into a model of charge reduction, and the charge state distribution versus anion concentration determined with it is compared to charge reduction measurements made via atmospheric pressure differential mobility analysis. Furthermore, good agreement is observed between simulations and experiments; although results are extremely sensitive to the recombination rate coefficients, experimental results are bound by models utilizing rates within a factor of 2 (0.5–2.0×) of the continuum-MD rates.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2026

Morphological descriptors of nanoparticles: The link between atomistic structures and x-ray absorption spectra

Understanding and quantifying the morphology of nanoparticles are essential for linking their atomic structure to diverse applications and verifying theoretical models. While experimental information on the structure of nanoparticles in the size range below ∼5 nm can be extracted from x-ray absorption spectroscopy using a small number of descriptors—most commonly coordination numbers—developing an understanding of morphology descriptors from experimental data remains a challenge. Here, in this study, we introduce NanoGene, a genetic algorithm-based method for generating structurally diverse nanoparticle models guided by user-defined descriptors. We establish correlations among structural, size-related, and morphological descriptors and demonstrate how experimentally accessible parameters, such as coordination numbers, can be leveraged to infer otherwise inaccessible ones, such as the generalized coordination number or particle oblateness. Principal component and clustering analyses reveal the relative importance of descriptors, with the number of atoms emerging as a key discriminant of the nanoparticle structure. By providing both the methodology and an extensive dataset of nanoparticle geometries, this work offers a practical foundation for descriptor-based analysis and interpretation of experimental observations, bridging the gap between local atomic coordinates and global morphological characterization.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Critical needs to close monitoring gaps in pan-tropical wetland CH 4 emissions

Global wetlands are the largest and most uncertain natural source of atmospheric methane (CH 4 ). The FLUXNET-CH 4 synthesis initiative has established a global network of flux tower infrastructure, offering valuable data products and fostering a dedicated community for the measurement and analysis of methane flux data. Existing studies using the FLUXNET-CH 4 Community Product v1.0 have provided invaluable insights into the drivers of ecosystem-to-regional spatial patterns and daily-to-decadal temporal dynamics in temperate, boreal, and Arctic climate regions. However, as the wetland CH 4 monitoring network grows, there is a critical knowledge gap about where new monitoring infrastructure ought to be located to improve understanding of the global wetland CH 4 budget. Here we address this gap with a spatial representativeness analysis at existing and hypothetical observation sites, using 16 process-based wetland biogeochemistry models and machine learning. We find that, in addition to eddy covariance monitoring sites, existing chamber sites are important complements, especially over high latitudes and the tropics. Furthermore, expanding the current monitoring network for wetland CH 4 emissions should prioritize, first, tropical and second, sub-tropical semi-arid wetland regions. Considering those new hypothetical wetland sites from tropical and semi-arid climate zones could significantly improve global estimates of wetland CH 4 emissions and reduce bias by 79% (from 76 to 16 TgCH 4 y -1 ), compared with using solely existing monitoring networks. Our study thus demonstrates an approach for long-term strategic expansion of flux observations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2025

First Evidence of Solar Neutrino Interactions on 13 C

The SNO+ Collaboration reports the first evidence of 8 B solar neutrinos interacting on 13 C nuclei. The charged current interaction proceeds through 13 C +𝜈 𝑒 → 13 N+𝑒 − which is followed, with a 10 minute half life, by 13 N → 13 C +𝑒 + +𝜈 𝑒 . The detection strategy is based on the delayed coincidence between the electron and the positron. Evidence for the charged current signal is presented with a significance of 4.2⁢𝜎. Using the natural abundance of 13 C present in the scintillator, 5.7 metric tons of 13 C over 231 days of data were used in this analysis. The 5.6$^{+3.0}_{−2.3}$ observed events in the data set are consistent with the expectation of 4.7$^{+0.6}_{−1.3}$ events. This result is the second real-time measurement of CC interactions of 8 B neutrinos with nuclei and constitutes the lowest energy observation of neutrino interactions on 13 C generally. This enables the first direct measurement of the CC 𝜈 𝑒 reaction to the ground state of 13 N , yielding an average cross section of (16.1$^{+8.5}_{−6.7}$⁢(stat.)$^{+1.6}_{−2.7}$⁢(syst.))×10 −43 cm 2 over the relevant 8 B solar neutrino energies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

First-principles study of an S = 1 quasi one-dimensional quantum molecular magnetic material

We use density functional theory to study the structural, magnetic, and electronic structures of the organometallic quantum magnet NiCl 2-4 SC (NH 2 ) 2 (DTN). Recent work has demonstrated the quasi one-dimensional nature of the molecular crystal and studied its quantum phase transitions at low temperatures. The system includes a magnetoelectric (ME) coupling and, when doped with Br, the presence of an exotic Bose-glass state. Using the generalized gradient approximation with inclusion of a van der Waals term to account for weak intermolecular forces and by introducing a Hubbard U term to the total energy, we systematically show that our calculations reproduce the magnetic anisotropy, the intermolecular exchange coupling strength, and the magnetoelectric effect in DTN, which have been observed in previous experiments. Further analysis of the electronic structure gives insight into the underlying magnetic interactions, including what mechanisms may be causing the ME effect. Using this computationally efficient model, we predict what effect applying an electric field might have on the magnetic properties of this quantum magnet.

1-dimensional spin chains↗
DOE OSTI2023

Electronic and magnetic structures that hinder the superconducting state in the collapsed phase of $\mathrm{SrCr_2}$ $\mathrm{As_2}$

The lack of superconductivity in the family of materials $AB_2$ $\mathrm{As_2}$ ($A$ = $\mathrm{Sr, Ba}$ and $B$ = $\mathrm{Cr, Mn}$) under doping or pressure is an intriguing issue, considering the resemblance of these materials to their cousin materials and superconductors $\mathrm{(Ba, Sr) Fe_2}$ $\mathrm{As_2}$. In this context, the suppression of magnetism together with the presence of electron and hole pockets in the Brillouin zone seem to be fundamental ingredients to explain superconductivity. In this paper, we report a tetragonal to collapsed-tetragonal phase transition in $\mathrm{SrCr_2}$ $\mathrm{As_2}$ under high pressure with the appearance of hole and electron pockets in the Brillouin zone. In this collapsed-tetragonal phase, a residual local magnetic moment in the Cr-ion site and a finite global magnetic energy are derived. Importantly, this scenario would suggest why superconductivity is prevented in this compound. Our observations were obtained from the analysis of synchrotron x-ray diffraction measurements of polycrystalline samples of $\mathrm{SrCr_2}$ $\mathrm{As_2}$, and using first-principles simulations, under pressures $P$ in the range $\mathrm{1.4}$ $\mathrm{GPa}$ < $P$ < $\mathrm{20 GPa}$ at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Proton pairing in neutron stars from chiral effective field theory

Here, we study the 1 S 0 proton pairing gap in beta-equilibrated neutron star matter within the framework of chiral effective field theory. We focus on the role of three-body forces, which strongly modify the effective proton-proton spin-singlet interaction in dense matter. We find that three-body forces generically reduce both the size of the pairing gap and the maximum density at which proton pairing may occur. The pairing gap is computed within BCS theory using a single-particle dispersion relation calculated up to second order in perturbation theory. Model uncertainties are estimated by varying the nuclear potential (its order in the chiral expansion and high-momentum cutoff) and the choice of single-particle spectrum in the gap equation. We find that a second-order perturbative treatment of the single-particle spectrum suppresses the proton 1 S 0 pairing gap relative to the use of a free spectrum. We estimate the critical temperature for the onset of proton superconductivity to be T c = (3:2–5:1) 10 9 K, which is consistent with previous theoretical results in the literature and marginally within the range deduced from a recent Bayesian analysis of neutron star cooling observations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

New energy for the 133-keV resonance in the 23 Na(p,γ) 24 Mg reaction and its impact on nucleosynthesis in globular clusters

Globular cluster stars exhibit star-to-star anticorrelations between oxygen and sodium in their atmospheres. An improved description of the sodium-destroying 23 Na +p reaction rates is essential to understanding these observations. We present an energy analysis of 24 Mg states based on a new measurement of the 23 Na( 3 He, d) 24 Mg reaction. A key resonance in 23 Na(p, γ) 24 Mg is found to be at $E$ $^{c.m.}_{r}$ = 133(3) keV, 5 keV lower than previously adopted. This finding has a dramatic effect on the 23 Na(p, γ) 24 Mg reaction rate, increasing it by a factor of 2 for the recommended rate. Furthermore, the nucleosynthesis impact of this change is investigated.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Constraints on partial half-lives of 136 Ce and 138 Ce double electron captures

The γ-ray emissions from a radiopure cerium-bromide crystal with a mass of 4381 g were measured for a total of 497.4 d by means of high-resolution γ-ray spectrometry in the HADES underground laboratory at a depth of 500 m.w.e. A search for 0/2νϵϵ and 0/2νϵβ + double beta decay transitions of 136 Ce and 13 8Ce was performed using Bayesian analysis techniques. No signals were observed for a total of 35 investigated decay modes. 90% credibility limits were set in the order of 10 18 -10 19 yr. Existing constraints from a cerium oxide powder measurement were tested with a different cerium compound and half-life limits could be improved for most of the decay modes. The most likely accessible decay mode of the 136 Ce 2νϵϵ transition into the $0_{1}^{+}$ state of 136 Ba results in a new best 90% credibility limit of 5.0×10 18 yr.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Atomistic Mechanism Underlying the Si ( 111 ) - ( 7 × 7 ) Surface Reconstruction Revealed by Artificial Neural-Network Potential

The 7×7 reconstruction of the Si(111) surface represents arguably the most fascinating surface reconstruction so far observed in nature. Yet, the atomistic mechanism underpinning its formation remains unclear after it was discovered sixty years ago. Experimentally, it is observed post priori so that analysis of its formation mechanism can only be carried out in analogy with archaeology. Theoretically, density-functional theory (DFT) correctly predicts the Si(111)-(7×7) ground state but is impractical to simulate its formation process; while empirical potentials failed to produce it as the ground state. Developing an artificial neural-network potential of DFT quality, we carried out accurate large-scale simulations to unravel the formation of the Si(111)-(7×7) surface. We reveal a possible step-mediated atom-pop rate-limiting process that triggers massive nonconserved atomic rearrangements, most remarkably, a critical process of collective vacancy diffusion that mediates a sequence of selective dimer, corner-hole, stacking-fault, and dimer-line pattern formation, to fulfill the 7×7 reconstruction. Our findings may not only solve the long-standing mystery of this famous surface reconstruction but they also illustrate the power of machine learning in studying complex structures.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Hard-photon-triggered jets in 𝑝−𝑝 and 𝐴−𝐴 collisions

An investigation of high-transverse-momentum (high-𝑝 𝑇 ) photon-triggered jets in proton-proton (𝑝−𝑝) and ion-ion (𝐴−𝐴) collisions at $\sqrt{s_{NN}}$=0.2 and 5.02TeV is carried out, using the multistage description of in-medium jet evolution. Monte Carlo simulations of hard scattering and energy loss in heavy-ion collisions are performed using parameters tuned in a previous study of the nuclear modification factor (𝑅 𝐴⁢𝐴 ) for inclusive jets and high-𝑝𝑇 hadrons. We obtain a good reproduction of the experimental data for photon-triggered jet 𝑅 𝐴⁢𝐴 , as measured by the ATLAS detector, the distribution of the ratio of jet to photon 𝑝 𝑇 (𝑋 𝐽⁢𝛾 ), measured by both CMS and ATLAS, and the photon-jet azimuthal correlation as measured by CMS. We obtain a moderate description of the photon-triggered jet 𝐼 𝐴⁢𝐴 , as measured by STAR. A noticeable improvement in the comparison is observed when one goes beyond prompt photons and includes bremsstrahlung and decay photons, revealing their significance in certain kinematic regions, particularly at 𝑋 𝐽⁢𝛾 >1. Moreover, azimuthal angle correlations demonstrate a notable impact of bremsstrahlung photons on the distribution, emphasizing their role in accurately describing experimental results. This work highlights the success of the multistage model of jet modification to straightforwardly predict (this set of) photon-triggered jet observables. This comparison, along with the role played by bremsstrahlung photons, has important consequences on the inclusion of such observables in a future Bayesian analysis.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

Considerations for quantitative in situ X-ray powder diffraction studies of solid-state reactions

The importance of sample preparation in collecting high-fidelity powder diffraction data suitable for quantitative structure and phase analysis is well established. Such powder diffraction experiments are increasingly being appliedin situ, during reactions, to explore solid-state reactivity. When appliedin situ, X-ray diffraction is widely used to gain insight into the mechanism and kinetics, and to identify dynamic intermediate states. Here, using a model ion-exchange reaction (NaFeO 2 + LiCl → LiFeO 2 + NaCl), we show that sample preparation not only influences the fidelity of powder diffraction analysis but also impacts the observed reaction progress. Specifically, we found that the observed reaction progress can differ by ∼50% depending on the capillary sample preparation. Thus, forin situdiffraction studies of solid-state reactions, packing fraction is an important and previously unrecognized consideration that impacts reproducibility and fidelity of the reaction study.

Chemistry↗
DOE OSTI2020

Li 4 Ru 2 OCl 10 ·10H 2 O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes

The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li 4 [Ru 2 OCl 10 ]·10H 2 O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li 4 [Ru 2 OCl 10 ]·10H 2 O crystallizes into a low-symmetry triclinic structure ($P\bar1$) due to the much smaller Li + cation compared to K + cation in the tetragonal complex K 4 [Ru 2 OCl 10 ]·H 2 O. The X-ray photoelectron spectra confirm only the single valent Ru 4+ in Li 4 [Ru 2 OCl 10 ]·10H 2 O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li 4 [Ru 2 OCl 10 ]·10H 2 O with unpaired electrons existing on Ru 4+ . Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

36 MATERIALS SCIENCE↗