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DOE OSTI2024

Simulating water dynamics related to pedogenesis across space and time: Implications for four-dimensional digital soil mapping

Digital soil mapping (DSM) relies on machine-learning and geostatistics to represent soil property observations across space. DSM techniques are powerful but often empirical, being limited to the quality and density of point samples. Water dynamics are closely related to soil variability, and the physics that govern water movement are well known. Hydrological properties can hence be simulated by physical models through space and time, unveiling key characteristics about soils. We propose the use of hydrologic models to map soils across the surface (2D), depth (1D), and time (1D)–which provides a 4D approach to digital soil mapping (4DSM). The Distributed Hydrology Soil Vegetation Model (DHSVM) was applied to a watershed currently under pasture. Moisture sensors and wells were installed at different depths in the watershed on summit, sideslope and toeslope positions to validate the model. DHSVM simulations of soil moisture distribution and depth to saturation were performed during the hydrological year (October 2008-September 2009). Clusters of similar pixels based on soil moisture values were determined using Dynamic Time Warping (DTW) to align temporal data and K-means. Clustering was performed both seasonally and for the entire year. Temporal patterns simulated by DHSVM matched measurements given by moisture sensors and wells. Seasonal clusters differed from the annual cluster. Distinct clusters were observed for each season and with depth, showing that spatiotemporal soil variability is lost when statically assessing soils. Spatiotemporal clusters corroborated field observations of fragipan occurrence not explicitly spatially mapped by Soil Survey Geographic Database (SSURGO). If a connection can be made between water and soils, static and dynamic soil variability can be predicted using physically based hydrologic models. Hydrologic models can benefit soil mapping by enabling reliable 4D simulation of water dynamics, which are fundamental to soil variability and soil classification and directly relate to biological, physical and chemical soil processes not captured by typical soil sampling protocols.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2024

Energetic Electrons Accelerated and Trapped in a Magnetic Bottle above a Solar Flare Arcade

Where and how flares efficiently accelerate charged particles remains an unresolved question. Recent studies revealed that a “magnetic bottle” structure, which forms near the bottom of a large-scale reconnection current sheet above the flare arcade, is an excellent candidate for confining and accelerating charged particles. However, further understanding its role requires linking the various observational signatures to the underlying coupled plasma and particle processes. Here we present the first study combining multiwavelength observations with data-informed macroscopic magnetohydrodynamics and particle modeling in a realistic eruptive flare geometry. The presence of an above-the-loop-top magnetic bottle structure is strongly supported by the observations, which feature not only a local minimum of magnetic field strength but also abruptly slowing plasma downflows. It also coincides with a compact above-the-loop-top hard X-ray source and an extended microwave source that bestrides the flare arcade. Spatially resolved spectral analysis suggests that nonthermal electrons are highly concentrated in this region. Our model returns synthetic emission signatures that are well matched to the observations. The results suggest that the energetic electrons are strongly trapped in the magnetic bottle region due to turbulence, with only a small fraction managing to escape. The electrons are primarily accelerated by plasma compression and facilitated by a fast-mode termination shock via the Fermi mechanism. Our results provide concrete support for the magnetic bottle as the primary electron acceleration site in eruptive solar flares. They also offer new insights into understanding the previously reported small population of flare-accelerated electrons entering interplanetary space.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1978

Evaluation of glass resin coatings for solar cell applications

Using a variety of non-vacuum deposition techniques coatings were implemented on silicon solar cells and arrays of cells interconnected on Kapton substrates. The coatings provide both antireflection optical matching and environmental protection. Reflectance minima near 2% was achieved at a single wavelength in the visible. Reflectance averaging below 5% across the useful collection range was demonstrated. The coatings and methods of deposition were: (1) Ta2O5 spun, dipped or sprayed; (2) Ta2O5.SiO2 spun, dipped or sprayed; (3) GR908 (SiO2) spun, dipped, or sprayed. Total coating thickness were in the range of 18 microns to 25 microns. The coatings and processes are compatible with single cells or cells mounted on Kapton substrates.

Field, M. B.↗

DOE OSTI2026

Highlighting the Importance of Authentic Reference Chemicals in the Unambiguous Identification of Unknowns during Routine Sample Analysis─An OPCW Proficiency Test Case

The unequivocal identification of unknown chemicals during routine sample analysis is a constant occurrence in the field of analytical chemistry. The process can be painstakingly tedious, particularly in situations where a tentatively identified unknown may possess isomeric counterparts yielding identical accurate mass values and very similar mass spectra. In this work, we present the experimental process involved in the correct identification of 1,4-oxathiane 4,4-dioxide and differentiation from its constitutional isomer, 2-hydroxyethyl vinyl sulfone, when present in a silica gel matrix featured in the 54th Environmental Organisation for the Prohibition of Chemical Weapons (OPCW) proficiency test. After discovering that the library-generated mass spectrum for 2-hydroxyethyl vinyl sulfone in a preliminary gas chromatography–mass spectrometry (GC-MS) analysis did not match the one from an authentic reference chemical, we embarked on an unknown structure determination campaign involving GC-MS, liquid chromatography-tandem mass spectrometry (LC-MS-MS), and nuclear magnetic resonance (NMR) spectroscopy. All of the information obtained, coupled to the synthesis of an authentic reference chemical, was used to determine the identity of the unknown as 1,4-oxathiane 4,4-dioxide. The process described in this work highlights the important role played by authentic reference chemicals in the identification of unknown chemicals during routine sample analysis.

Chemistry↗

DOE OSTI2013

THE CHEMICAL COMPOSITION OF PRAESEPE (M44)

Star clusters have long been used to illuminate both stellar evolution and Galactic evolution. They also hold clues to the chemical and nucleosynthetic processes throughout the history of the Galaxy. We have taken high signal-to-noise (S/N), high-resolution spectra of 11 solar-type stars in the Praesepe open cluster to determine the chemical abundances of 16 elements: Li, C, O, Na, Mg, Al, Si, Ca, Sc, Ti, V, Cr, Fe, Ni, Y, and Ba. We have determined Fe from Fe I and Fe II lines and find [Fe/H] = +0.12 ±0.04. We find that Li decreases with temperature due to increasing Li depletion in cooler stars; it matches the Li-temperature pattern found in the Hyades. The [C/Fe] and [O/Fe] abundances are below solar and lower than the field star samples due to the younger age of Praesepe (0.7 Gyr) than the field stars. The alpha-elements, Mg, Si, Ca, and Ti, have solar ratios with respect to Fe, and are also lower than the field star samples. The Fe-peak elements, Cr and Ni, track Fe and have solar values. The neutron capture element [Y/Fe] is found to be solar, but [Ba/Fe] is enhanced relative to solar and to the field stars. Three Praesepe giants were studied by Carrera and Pancino; they are apparently enhanced in Na, Mg, and Ba relative to the Praesepe dwarfs. The Na enhancement may indicate proton-capture nucleosynthesis in the Ne → Na cycling with dredge-up into the atmospheres of the red giants.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Generic one-loop matching conditions for rare meson decays

Leptonic and semileptonic meson decays that proceed via flavour-changing neutral currents provide excellent probes of physics of the standard model and beyond. We present explicit results for the Wilson coefficients of the weak effective Lagrangian for these decays in any perturbative model in which these processes proceed via one-loop contributions. We explicitly show that our results are finite and gauge independent, and provide Mathematica code that implements our results in an easily usable form.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2024

Off-shell pion properties: Electromagnetic form factors and light-front wave functions

The off-shell pion electromagnetic form factors are explored with corresponding off-shell light-front wave functions modeled by constituent quark and antiquark. We apply the Mandelstam approach for the microscopic computation of the form factors relating the model parameters with the pion decay constant and charge radius. Analyzing the existing data on the cross sections for the Sullivan process, 1 H(e,e',π + )⁢n, Charged pion form factor between Q 2 = 0.60, and 2.45 GeV 2 . I. Measurements of the cross section for the 1 H⁡(e,e'⁢π + )⁢n reaction, we extract the off-shell pion form factor using the relation derived from the generalized Ward-Takahashi identity for the pion electromagnetic current. They are compared with our previous results from exactly solvable manifestly covariant model of a (3+1)-dimensional fermion field theory. We find that the adopted constituent quark model reproduces the extracted off-shell form factor F 1 ⁡(Q 2 ,t) from the experimental data within a few percent difference and matches well with our previous theoretical simulation which exhibits a variation of about 10% for the extracted off-shell pion form factor g(Q 2 ,t). We also identify the pion valence parton distribution function (PDF) and transverse momentum distribution (TMD) in terms of the light-front wave function and discuss their off-shell properties.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS2001

Phase Field Modeling of Microstructure Development in Microgravity

This newly funded project seeks to extend our NASA-sponsored project on modeling of dendritic microstructures to facilitate collaboration between our research group and those of other NASA investigators. In our ongoing program, we have applied advanced computational techniques to study microstructural evolution in dendritic solidification, for both pure isolated dendrites and directionally solidified alloys. This work has enabled us to compute dendritic microstructures using both realistic material parameters and experimentally relevant processing conditions, thus allowing for the first time direct comparison of phase field computations with laboratory observations. This work has been well received by the materials science and physics communities, and has led to several opportunities for collaboration with scientists working on experimental investigations of pattern selection and segregation in solidification. While we have been able to pursue these collaborations to a limited extent, with some important findings, this project focuses specifically on those collaborations. We have two target collaborations: with Prof. Glicksman's group working on the Isothermal Dendritic Growth Experiment (IDGE), and with Prof. Poirier's group studying directional solidification in Pb-Sb alloys. These two space experiments match well with our two thrusts in modeling, one for pure materials, as in the IDGE, and the other directional solidification. Such collaboration will benefit all of the research groups involved, and will provide for rapid dissemination of the results of our work where it will have significant impact.

Dantzig, Jonathan A.↗

NASA NTRS1976

Particle and flow field measurements by laser holography

Holograms make transmission recordings of aerodynamic events which are real-illuminated with ground-glass light diffusers and with no requirements for precision. The three-dimensional interferograms can be recorded by stored-beam, double-exposure, and double-plate techniques. Weak traveling shock waves, generated by rotating blade rows of an aircraft fan compressor, can be visualized by rapid double-exposure holograms recorded with a ruby laser. The same laser technique can also determine flow velocities from holograms of small flow-entrained particles. Particles larger than one-quarter millimeter are recorded under rear diffuse illumination conditions. Smaller particles can be recorded by their own forward scattering of laser light through the sensitivity of the holographic process for weak signals. Since the holographic apparatus can be path-matched, both particle and flow interferograms can be recorded with lasers of short coherence length.

Wuerker, R. F.↗

DOE OSTI2017

A complete basis of helicity operators for subleading factorization

Factorization theorems underly our ability to make predictions for many processes involving the strong interaction. Although typically formulated at leading power, the study of factorization at subleading power is of interest both for improving the precision of calculations, as well as for understanding the all orders structure of QCD. We use the SCET helicity operator formalism to construct a complete power suppressed basis of hard scattering operators for e + e - → dijets, e - p → e - jet, and constrained Drell-Yan, including the first two subleading orders in the amplitude level power expansion. We analyze the field content of the jet and soft function contributions to the power suppressed cross section for e + e - → dijet event shapes, and give results for the lowest order matching to the contributing operators. These results will be useful for studies of power corrections both in fixed order and resummed perturbation theory.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2015

Preliminary research on overmoded high-power millimeter-wave Cerenkov generator with dual-cavity reflector in low guiding magnetic field

This paper presents preliminary research on a V-band overmoded Cerenkov generator with dual-cavity reflector operating in a low guiding magnetic field. It is found that the fluctuation of the electron envelope in the low guiding magnetic field can be predicted using an equivalent coaxial model of a foilless diode, and a dual-cavity reflector based on the model matching method can provide strong reflection at the front end of the overmoded structures so that any microwave power that leaks into the diode region can be effectively suppressed. Numerical simulations indicate that the control of the beam envelope and the use of the dual-cavity reflector ease generator operation in the low guiding magnetic field. In the experimental research, the fluctuation of the annular electron beam with the outer radius of 7.5 mm measures approximately 0.7 mm, which is in good agreement with the theoretical results. The disturbance caused by power leaking from the overmoded slow wave structure is eliminated by the dual-cavity reflector. With accurate fabrication and assembly processes, an operating frequency of 61.6 GHz is attained by the fifth harmonic heterodyne method, and the output power is measured to be approximately 123 MW by the far-field measurement method at a diode voltage of 445 kV, a beam current of 4.45 kA, and under a guiding magnetic field of 1.45 T. The output mode is measured using an array of neon flash bulbs, and the pulse shortening phenomenon is both observed and analyzed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2017

Secondary organic aerosol formation in biomass-burning plumes: theoretical analysis of lab studies and ambient plumes

Abstract. Secondary organic aerosol (SOA) has been shown to form in biomass-burning emissions in laboratory and field studies. However, there is significant variability among studies in mass enhancement, which could be due to differences in fuels, fire conditions, dilution, and/or limitations of laboratory experiments and observations. This study focuses on understanding processes affecting biomass-burning SOA formation in laboratory smog-chamber experiments and in ambient plumes. Vapor wall losses have been demonstrated to be an important factor that can suppress SOA formation in laboratory studies of traditional SOA precursors; however, impacts of vapor wall losses on biomass-burning SOA have not yet been investigated. We use an aerosol-microphysical model that includes representations of volatility and oxidation chemistry to estimate the influence of vapor wall loss on SOA formation observed in the FLAME III smog-chamber studies. Our simulations with base-case assumptions for chemistry and wall loss predict a mean OA mass enhancement (the ratio of final to initial OA mass, corrected for particle-phase wall losses) of 1.8 across all experiments when vapor wall losses are modeled, roughly matching the mean observed enhancement during FLAME III. The mean OA enhancement increases to over 3 when vapor wall losses are turned off, implying that vapor wall losses reduce the apparent SOA formation. We find that this decrease in the apparent SOA formation due to vapor wall losses is robust across the ranges of uncertainties in the key model assumptions for wall-loss and mass-transfer coefficients and chemical mechanisms.We then apply similar assumptions regarding SOA formation chemistry and physics to smoke emitted into the atmosphere. In ambient plumes, the plume dilution rate impacts the organic partitioning between the gas and particle phases, which may impact the potential for SOA to form as well as the rate of SOA formation. We add Gaussian dispersion to our aerosol-microphysical model to estimate how SOA formation may vary under different ambient-plume conditions (e.g., fire size, emission mass flux, atmospheric stability). Smoke from small fires, such as typical prescribed burns, dilutes rapidly, which drives evaporation of organic vapor from the particle phase, leading to more effective SOA formation. Emissions from large fires, such as intense wildfires, dilute slowly, suppressing OA evaporation and subsequent SOA formation in the near field. We also demonstrate that different approaches to the calculation of OA enhancement in ambient plumes can lead to different conclusions regarding SOA formation. OA mass enhancement ratios of around 1 calculated using an inert tracer, such as black carbon or CO, have traditionally been interpreted as exhibiting little or no SOA formation; however, we show that SOA formation may have greatly contributed to the mass in these plumes.In comparison of laboratory and plume results, the possible inconsistency of OA enhancement between them could be in part attributed to the effect of chamber walls and plume dilution. Our results highlight that laboratory and field experiments that focus on the fuel and fire conditions also need to consider the effects of plume dilution or vapor losses to walls.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2010

AGILE OBSERVATIONS OF THE 'SOFT' GAMMA-RAY PULSAR PSR B1509 - 58

We present the results of new AGILE observations of PSR B1509 - 58 performed over a period of {approx}2.5 years following the detection obtained with a subset of the present data. The modulation significance of the light curve above 30 MeV is at a 5{sigma} confidence level and the light curve is similar to those found earlier by COMPTEL up to 30 MeV: a broad asymmetric first peak reaching its maximum 0.39 {+-} 0.02 cycles after the radio peak plus a second peak at 0.94 {+-} 0.03. The gamma-ray spectral energy distribution of the pulsed flux detected by COMPTEL and AGILE is well described by a power law (photon index {alpha} = 1.87 {+-} 0.09) with a remarkable cutoff at E{sub c} = 81 {+-} 20 MeV, representing the softest spectrum observed among gamma-ray pulsars so far. The pulsar luminosity at E > 1 MeV is L{sub {gamma}} = 4.2{sup +0.5}{sub -0.2} x 10{sup 35} erg s{sup -1}, assuming a distance of 5.2 kpc, which implies a spin-down conversion efficiency to gamma rays of {approx}0.03. The unusual soft break in the spectrum of PSR B1509 - 58 has been interpreted in the framework of polar cap models as a signature of the exotic photon-splitting process in the strong magnetic field of this pulsar. In this interpretation, our spectrum constrains the magnetic altitude of the emission point(s) at 3 km above the neutron star surface, implying that the attenuation may not be as strong as formerly suggested because pair production can substitute photon splitting into regions of the magnetosphere where the magnetic field becomes too low to sustain photon splitting. In the case of an outer-gap scenario or the two-pole caustic model, better constraints on the geometry of the emission would be needed from the radio band in order to establish whether the conditions required by the models to reproduce AGILE light curves and spectra match the polarization measurements.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2011

Enhanced reflection via phase compensation from anomalous dispersion in atomic vapor

The phase compensation mechanism induced by anomalous dispersion in the reflection process of four-wave mixing (or reflection from a grating) in a three-level system is investigated, where the four wave vectors do not match in vacuum. An efficiency of the reflected signal of as high as 43% from a hot atomic cell of Cs is observed. The maximum reflection occurs when the frequency of the probe beam (and consequently the frequency of the reflected signal) is slightly red detuned from the transition frequency, which is attributed to the phase compensation from the steep anomalous dispersion accompanied with a strong probe absorption. The dependences of the efficiency on the angle between the coupling and probe lights, on the intensity of the coupling, field and on atomic density are studied. A theoretical model is presented and it is in good agreement with the experimental results.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS2006

On the Origin of System III Asymmetries in the Io Torus

The Io plasma torus exhibits several intriguing asymmetries which offer insights to the processes that transport mass and energy through the system. While these asymmetries are increasingly well described observationally, most still lack physical explanations. One important asymmetry is fixed in the coordinate system corotating with Jupiter's magnetic field. Space-based and ground-based observations have shown that torus ions are hotter and more highly ionized around System III 20 deg. Our simulations show that this type of torus asymmetry can be caused by enhanced pickup of fresh ions from Io's neutral clouds near these longitudes. The enhancement is caused primarily by the tilt and offset of the torus relative to the neutral clouds. We will report on the model parameters required to match the observed asymmetries, and offer predictions which will allow a test of this hypothesis.

Schneider, N. M.↗

DOE OSTI2024

Small-amplitude Compressible Magnetohydrodynamic Turbulence Modulated by Collisionless Damping in Earth’s Magnetosheath: Observation Matches Theory

Plasma turbulence is a ubiquitous dynamical process that transfers energy across many spatial and temporal scales and affects energetic particle transport. Recent advances in the understanding of compressible magnetohydrodynamic (MHD) turbulence demonstrate the important role of damping in shaping energy distributions on small scales, yet its observational evidence is still lacking. This study provides the first observational evidence of substantial collisionless damping (CD) modulation on the small-amplitude compressible MHD turbulence cascade in Earth’s magnetosheath using four Cluster spacecraft. Based on an improved compressible MHD decomposition algorithm, turbulence is decomposed into three eigenmodes: incompressible Alfvén modes and compressible slow and fast (magnetosonic) modes. Our observations demonstrate that CD enhances the anisotropy of compressible MHD modes because CD has a strong dependence on wave propagation angle. The wavenumber distributions of slow modes are mainly stretched perpendicular to the background magnetic field (B 0 ) and weakly modulated by CD. In contrast, fast modes are subjected to a more significant CD modulation. Fast modes exhibit a weak, scale-independent anisotropy above the CD truncation scale. Below the CD truncation scale, the anisotropy of fast modes enhances as wavenumbers increase. As a result, fast-mode fractions in the total energy of compressible modes decrease with the increase of perpendicular wavenumber (to B 0 ) or wave propagation angle. Our findings reveal how the turbulence cascade is shaped by CD and its consequences for anisotropies in the space environment.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2013

Quantitative assessment of biological impact using transcriptomic data and mechanistic network models

Exposure to biologically active substances such as therapeutic drugs or environmental toxicants can impact biological systems at various levels, affecting individual molecules, signaling pathways, and overall cellular processes. The ability to derive mechanistic insights from the resulting system responses requires the integration of experimental measures with a priori knowledge about the system and the interacting molecules therein. We developed a novel systems biology-based methodology that leverages mechanistic network models and transcriptomic data to quantitatively assess the biological impact of exposures to active substances. Hierarchically organized network models were first constructed to provide a coherent framework for investigating the impact of exposures at the molecular, pathway and process levels. We then validated our methodology using novel and previously published experiments. For both in vitro systems with simple exposure and in vivo systems with complex exposures, our methodology was able to recapitulate known biological responses matching expected or measured phenotypes. In addition, the quantitative results were in agreement with experimental endpoint data for many of the mechanistic effects that were assessed, providing further objective confirmation of the approach. We conclude that our methodology evaluates the biological impact of exposures in an objective, systematic, and quantifiable manner, enabling the computation of a systems-wide and pan-mechanistic biological impact measure for a given active substance or mixture. Our results suggest that various fields of human disease research, from drug development to consumer product testing and environmental impact analysis, could benefit from using this methodology. - Highlights: • The impact of biologically active substances is quantified at multiple levels. • The systems-level impact integrates the perturbations of individual networks. • The networks capture the relationships between the biological mechanisms. • Four exposure experiments have been assessed to validate the methodology. • The impact results were consistent with the corresponding phenotypic measures.

60 APPLIED LIFE SCIENCES↗

DOE OSTI2014

Computational study of ion beam extraction phenomena through multiple apertures

The process of ion extraction through multiple apertures is investigated using a two-dimensional particle-in-cell code. We consider apertures with a fixed diameter with a hydrogen plasma background, and the trajectories of electrons, H{sup +} and H{sub 2}{sup +} ions in the self-consistently calculated electric field are traced. The focus of this work is the fundamental physics of the ion extraction, and not particular to a specific device. The computed convergence and divergence of the extracted ion beam are analyzed. We find that the extracted ion flux reaching the extraction electrode is non-uniform, and the peak flux positions change according to operational parameters, and do not necessarily match the positions of the apertures in the y-direction. The profile of the ion flux reaching the electrode is mainly affected by the bias voltage and the distance between grid wall and extraction electrode.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗