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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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Tracing the Cosmic Energy Flow with Parker Solar Probe: Universal Processes

Heliophysics is inherently interdisciplinary, born from multiple subjects to understand how the Sun interacts with its surrounding environment. Heliophysicists and Astrophysicists seldom exchange ideas since the scientific infrastructure partitions research areas by spatial location in the cosmos. Parker Solar Probe (PSP) is sending back puzzling information in regions we have never been before, presenting an opportunity to search for answers in non-traditional ways that are inherently cross-disciplinary. The fundamental processes that govern the physics of the universe, such as wave-particle interactions, turbulence, magnetic reconnection, and shocks, are mechanisms to study cosmic energy flow. We present PSP observations that may enable us to assess the universality of these fundamental processes in – and across boundaries of –various space and astrophysical regimes. Specifically, we focus on the exotic shapes of proton velocity distribution functions and subsequent evolution leading to multi-scale wave generation and particle acceleration. We welcome ideas, tools, and methodologies from all disciplines to understand the systems of systems governing our universe.

J L Verniero↗
NASA NTRS2009

Differential Cross Sections for Proton-Proton Elastic Scattering

Proton-proton elastic scattering is investigated within the framework of the one pion exchange model in an attempt to model nucleon-nucleon interactions spanning the large range of energies important to cosmic ray shielding. A quantum field theoretic calculation is used to compute both differential and total cross sections. A scalar theory is then presented and compared to the one pion exchange model. The theoretical cross sections are compared to proton-proton scattering data to determine the validity of the models.

Norman, Ryan B.↗
NASA NTRS2000

Kinetics of DSB rejoining and formation of simple chromosome exchange aberrations

PURPOSE: To investigate the role of kinetics in the processing of DNA double strand breaks (DSB), and the formation of simple chromosome exchange aberrations following X-ray exposures to mammalian cells based on an enzymatic approach. METHODS: Using computer simulations based on a biochemical approach, rate-equations that describe the processing of DSB through the formation of a DNA-enzyme complex were formulated. A second model that allows for competition between two processing pathways was also formulated. The formation of simple exchange aberrations was modelled as misrepair during the recombination of single DSB with undamaged DNA. Non-linear coupled differential equations corresponding to biochemical pathways were solved numerically by fitting to experimental data. RESULTS: When mediated by a DSB repair enzyme complex, the processing of single DSB showed a complex behaviour that gives the appearance of fast and slow components of rejoining. This is due to the time-delay caused by the action time of enzymes in biomolecular reactions. It is shown that the kinetic- and dose-responses of simple chromosome exchange aberrations are well described by a recombination model of DSB interacting with undamaged DNA when aberration formation increases with linear dose-dependence. Competition between two or more recombination processes is shown to lead to the formation of simple exchange aberrations with a dose-dependence similar to that of a linear quadratic model. CONCLUSIONS: Using a minimal number of assumptions, the kinetics and dose response observed experimentally for DSB rejoining and the formation of simple chromosome exchange aberrations are shown to be consistent with kinetic models based on enzymatic reaction approaches. A non-linear dose response for simple exchange aberrations is possible in a model of recombination of DNA containing a DSB with undamaged DNA when two or more pathways compete for DSB repair.

DNA Damage↗
DOE OSTI2018

Zero-range effective field theory for resonant wino dark matter. Part III. Annihilation effects

Near a critical value of the wino mass where there is a zero-energy S-wave resonance at the neutral-wino-pair threshold, low-energy winos can be described by a zero-range effective field theory (ZREFT) in which the winos interact nonperturbatively through a contact interaction and through Coulomb interactions. Here, the effects of wino-pair annihilation into electroweak gauge bosons are taken into account through the analytic continuation of the real parameters for the contact interaction to complex values. The parameters of ZREFT can be determined by matching wino-wino scattering amplitudes calculated by solving the Schrödinger equation for winos interacting through a real potential due to the exchange of electroweak gauge bosons and an imaginary potential due to wino-pair annihilation into electroweak gauge bosons. ZREFT at leading order gives an accurate analytic description of low-energy wino-wino scattering, inclusive wino-pair annihilation, and a wino-pair bound state. ZREFT can also be applied to partial annihilation rates, such as the Sommerfeld enhancement of the annihilation rate of wino pairs into monochromatic photons.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2022

Electron-Affinity Time-Dependent Density Functional Theory: Formalism and Applications to Core-Excited States

The lack of particle-hole attraction and orbital relaxation within time-dependent density functional theory (TDDFT) lead to extreme errors in the prediction of K-edge X-ray absorption spectra (XAS). We derive a linear-response formalism that uses optimized orbitals of the n - 1-electron system as the reference, building orbital relaxation and a proper hole into the initial density. Here, our approach is an exact generalization of the static-exchange approximation that ameliorates the particle-hole interaction error associated with the adiabatic approximation and reduces errors in TDDFT XAS by orders of magnitude. With a statistical performance of just 0.5 eV root-mean-square error and the same computational scaling as TDDFT under the core-valence separation approximation, we anticipate that this approach will be of great utility in XAS calculations of large systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

To Substitute Rather Than Intercalate: Chimie douce Approach to Induce Ferromagnetism in Metastable Pt 0.8 M 0.2 Se 2 ( M = Cr, Co, Ni)

Two-dimensional (2D) magnetic materials with exotic magnetic properties have garnered significant interest due to their potential applications in spintronics and data storage technologies. However, the limited availability of intrinsic 2D magnetic materials has driven efforts to induce and manipulate magnetism in otherwise nonmagnetic 2D systems through approaches such as chemical intercalation, defect engineering, and substitutional doping. Herein, we present a facile, chimie douce method for incorporating 3d transition metals (Cr, Co, and Ni) into the nonmagnetic PtSe 2 sublattice. This synthetic approach enables control over layer thickness of Pt 1–x M x Se 2 (M = Cr, Co, Ni) nanosheets by varying the M identity and annealing conditions. Comprehensive scattering and spectroscopic characterizations confirm the successful and homogeneous substitution of M atoms at the Pt site, rather than intercalation, and reveal a strong correlation between nanosheet thickness and the identity of the substituting metal. High-temperature annealing of the nanosheets promotes an irreversible transformation toward the bulk phase, allowing for detailed characterization of structural and magnetic properties. A case study of Pt 0.8 Cr 0.2 Se 2 reveals that nanosheet thickness plays a critical role in modulating local magnetic interactions. While Cr atoms in the as-synthesized few-layers-thick nanosheets exhibit predominantly short-range antiferromagnetic interactions, the emergence of short-range ferromagnetic exchange is revealed in the bulk material. Detailed ac susceptibility and remanent magnetization measurements further demonstrate that bulk Pt 0.8 Cr 0.2 Se 2 adopts a frustrated magnetic ground state with clear signatures of ferromagnetic cluster-glass behavior. The systematic investigation presented herein establishes a clear and robust protocol for the synthesis and in-depth characterization of 2D transition-metal-substituted PtSe2 materials with varying layer thickness and paves a path toward their realization in spintronic and magnetic device applications.

crystallinity↗
DOE OSTI2023

A Simple and Flexible Infusion Platform for Automated Native Mass Spectrometry Analysis

High throughput native mass spectrometry analysis of proteins and protein complexes has been enabled by recent development of infusion and liquid chromatography (LC) systems, which often include complete LC pumps without fully utilizing their gradient flows. We demonstrated a lower-cost infusion cart for native mass spectrometry applications using a single isocratic solvent pump that can operate at both nano- and high-flow configurations (0.05-150 $μ$L/min) for both infusion and online buffer exchange experiments. In conclusion, the platform is controlled via open-source software and can potentially be expanded for customized experimental designs, offering a lower cost alternative to laboratories with limited budgets and/or needs in student training.

47 OTHER INSTRUMENTATION↗
DOE OSTI2017

Genome-driven evolutionary game theory helps understand the rise of metabolic interdependencies in microbial communities

Metabolite exchanges in microbial communities give rise to ecological interactions that govern ecosystem diversity and stability. It is unclear, however, how the rise of these interactions varies across metabolites and organisms. Here we address this question by integrating genome-scale models of metabolism with evolutionary game theory. Specifically, we use microbial fitness values estimated by metabolic models to infer evolutionarily stable interactions in multi-species microbial “games”. We first validate our approach using a well-characterized yeast cheater-cooperator system. We next perform over 80,000 in silico experiments to infer how metabolic interdependencies mediated by amino acid leakage in Escherichia coli vary across 189 amino acid pairs. While most pairs display shared patterns of inter-species interactions, multiple deviations are caused by pleiotropy and epistasis in metabolism. Moreover, simulated invasion experiments reveal possible paths to obligate cross-feeding. Our study provides genomically driven insight into the rise of ecological interactions, with implications for microbiome research and synthetic ecology.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2017

The key energy scales of Gd-based metallofullerene determined by resonant inelastic x-ray scattering spectroscopy

Endohedral metallofullerenes, formed by encaging Gd inside fullerenes like C 80 , can exhibit enhanced proton relaxitivities compared with other Gd-chelates, making them the promising contrast agents for magnetic resonance imaging (MRI). However, the underlying key energy scales of Gd x Sc 3-x N@C 80 (x = 1–3) remain unclear. Here, we carry out resonant inelastic x-ray scattering (RIXS) experiments on Gd x Sc 3-x N@C 80 at Gd N 4,5 -edges to directly study the electronic structure and spin flip excitations of Gd 4f electrons. Compared with reference Gd 2 O 3 and contrast agent Gadodiamide, the features in the RIXS spectra of all metallofullerenes exhibit broader spectral lineshape and noticeable energy shift. Using atomic multiplet calculations, we have estimated the key energy scales such as the inter-site spin exchange field, intra-atomic 4f–4f Coulomb interactions, and spin-orbit coupling. The implications of these parameters to the 4f states of encapsulated Gd atoms are discussed.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Soil moisture-atmosphere interactions drive terrestrial carbon-water trade-offs

Soil moisture is coupled with vegetation and atmosphere, influencing global cycling of water, carbon, and energy. However, it remains unclear how soil moisture-atmosphere interactions affect land-atmosphere carbon and water exchanges simultaneously. Using Earth system model experiments, we show widespread carbon-water trade-offs between net ecosystem production and precipitation-minus-evapotranspiration driven by soil moisture dynamics. Soil moisture positively controls net ecosystem production and negatively affects precipitation-minus-evapotranspiration, through direct soil water stress and indirect soil moisture-atmosphere feedbacks. While soil moisture variability magnifies the interannual variability of net ecosystem production, it moderates that of precipitation-minus-evapotranspiration over land. These opposing effects lead to a pronounced carbon-water trade-off, which originates from the interplay between carbon acquisition through photosynthesis and water extraction through evapotranspiration. This trade-off is projected to intensify in a warming and drying future, as soil moisture increasingly regulates carbon and water exchanges, posing a serious challenge to sustaining both terrestrial carbon sink and water supply.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Interactions of laser speckles due to kinetic stimulated Raman scattering

We examine the possible interactions of two laser speckles due to the exchange of electrons and waves generated by stimulated Raman scattering (SRS) using two-dimensional particle-in-cell simulations. By controlling the relative polarization, spatial placement, and timing of two laser speckles, one above-threshold and one below-threshold for SRS, we isolate and characterize SRS growth stimulated in below-threshold speckles. SRS in the below-threshold speckle is shown to be triggered by energetic electrons, scattered light waves, and scattered plasma waves generated from the above-threshold speckle. As a result, we show that scattered light or electrons alone can be an intermediary trigger for SRS.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2017

Self-consistent Dark Matter simplified models with an s-channel scalar mediator

We examine Simplified Models in which fermionic DM interacts with Standard Model (SM) fermions via the exchange of an s -channel scalar mediator. The single-mediator version of this model is not gauge invariant, and instead we must consider models with two scalar mediators which mix and interfere. The minimal gauge invariant scenario involves the mixing of a new singlet scalar with the Standard Model Higgs boson, and is tightly constrained. We construct two Higgs doublet model (2HDM) extensions of this scenario, where the singlet mixes with the 2nd Higgs doublet. Compared with the one doublet model, this provides greater freedom for the masses and mixing angle of the scalar mediators, and their coupling to SM fermions. We outline constraints on these models, and discuss Yukawa structures that allow enhanced couplings, yet keep potentially dangerous flavour violating processes under control. We examine the direct detection phenomenology of these models, accounting for interference of the scalar mediators, and interference of different quarks in the nucleus. Regions of parameter space consistent with direct detection measurements are determined.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

First-principles prediction of the Landau parameter for Fermi liquids near the unitarity limit

This paper explores the behavior of systems of cold fermions as they approach unitary above the critical temperature. Symmetry arguments indicate that at unitarity the Fermi-liquid picture breaks down. As we move away from unitarity, by decreasing the scattering length, the dilaton, the Goldstone boson resulting from the spontaneous breaking of Schrodinger symmetry by the Fermi sea, becomes gapped. At energies below this gap, the interaction between quasiparticles will be dominated by dilaton exchange. Here, the dilaton mass can, in turn, be related via anomaly matching to the scattering length and contact parameter within the confines of a systematic expansion.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2018

Extraction of γ n → π N observables from deuteron-target data

In this work, an examination is conducted on a commonly used procedure for extracting (un)polarized γn → π - p and γn → π 0 n observables from 2H(γ,π - )pp and 2 H(γ,π 0 )pn data, using a model that consists of the impulse term and the final-state interaction (FSI) terms due to nucleon and pion exchange. Recent experimental and theoretical analyses used an extraction method that does not impose a cut on the final πN invariant mass W. I demonstrate that the use of this method can result in the γn → πN observables that are seriously distorted by the nucleon Fermi motion, and that one can efficiently avoid this problem by imposing a cut on W. It is also shown that the use of kinematical cuts of recent experimental analyses can still leave in the selected samples substantial FSI effects that must be corrected in extracting the γn → πN cross sections. In terms of the nucleon- and pion-exchange mechanisms, I give the first qualitative explanation of the FSI corrections, obtained in a recent Mainz Microtron experiment, for extracting γn → π 0 n cross sections.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2016

Peak season carbon exchange shifts from a sink to a source following 50+ years of herbivore exclusion in an Arctic tundra ecosystem

To date, the majority of our knowledge regarding the impacts of herbivory on arctic ecosystem function has been restricted to short-term (<5 years) exclusion or manipulation experiments. Here, our understanding of long-term responses of sustained herbivory and/or herbivore exclusion on arctic tundra ecosystem function is severely limited.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Above and belowground connections and species interactions: Controls over ecosystem fluxes

The ultimate goal of this work was to quantify soil and volatile organic compound fluxes as a function of tree species and associated mycorrhizal associations in an intact forest, but also to describe the physical and biological factors that control these emissions. The results of this research lay the foundation toward an improved mechanistic understanding of carbon pathways, fluxes, and ecosystem function, ultimately improving the representation of forest ecosystems in Earth System models. To this end, a multidisciplinary approach was necessary to fill a critical gap in our understanding of how soil and root processes may influence whole-ecosystem carbon-based volatile fluxes in the face of a rapidly changing climate. We developed a series of novel sampling protocols and coupled a variety of advanced analytical techniques, resulting in findings relevant across disciplines. Furthermore, we leveraged existing infrastructure, research sites, and datasets to design a low-cost exploratory project that links belowground processes, soil volatile emissions, and total ecosystem carbon budgets. Measurements from soil collars installed across a species/mycorrhizal gradient at the DOE-supported Moran Monroe State Forest Ameriflux tower site suggest that leaf litter is the primary source of belowground and forest floor volatile emissions, but the strength of this source is significantly affected not only by leaf litter type, but the strength of the soil as a sink. Results suggest that the strength of the sink is influenced by tree species-specific associated microbial communities that change throughout the season as a function of temperature, soil moisture, leaf litter inputs, and phenology. The magnitude of the observed volatile fluxes from the forest floor is small relative to total aboveground ecosystem flux, but the contribution of these emissions to volatile-mediated ecological interactions and soil processes (e.g. nitrification) varies substantially across the growing season. This research lays the foundation to answer important questions regarding the impacts of seasonality and forest composition on belowground volatile source-sink dynamics in mediating nutrient cycling and biogeochemistry dynamics—critical components of overall ecosystem functioning. In collaboration with the Environmental Simulations Unit (EUS) at the Helmholtz Zentrum in Munich, Germany (headed by Prof. Dr. Joerg-Peter Schinitzler), we investigated carbon investment in above and belowground plant volatile compounds in response to environmental conditions and mycorrhizal associations. Using the sophisticated phytotron facility and on-line trace gas instruments, we conducted controlled laboratory experiments that showed that biotic stresses, such as herbivore feeding, can alter the magnitude of belowground volatile emissions as well as carbon allocation towards these volatiles. We saw no effect of mycorrhizae on any induced response, suggesting that microbial effects were unrelated to source-sink dynamics driving terpene emissions. Furthermore, the results suggest that even though enzyme activity responsible for root volatile synthesis is up-regulated following herbivory, the sink strength of the soil can significantly impact what is measured at the soil/atmosphere interface and thereby what enters the atmosphere. This is important as scientists may be underestimating the magnitude of belowground volatile emissions and their influence on belowground interactions due to limitations associated with current sampling techniques. These key findings are being integrated with results from a hydroxyl radical reactivity-VOC campaign and a late season litter removal experiment to offer a comprehensive mechanistic understanding of the sources and controls over soil volatile emissions, particularly during times of the year when vegetative aboveground emissions are low (leaf senescence). Ultimately, these coupled field and laboratory experiments offer insights into seasonal dynamics of volatile emissions and the mechanisms that control carbon allocation to these compounds with an eye towards improving carbon budgets, nutrient cycling, and terrestrial ecosystem models.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2022

Development of a Direct Neutral Density Diagnostic for Fusion Edge Plasmas

As magnetically confined plasmas progress towards ignition and long pulse experiments, measurement and control of the neutral density in the plasma edge has become a critical issue for stability, formation of transport barriers, and fueling. Recent experiments by our research group have demonstrated that is possible to use two-photon absorption laser induced fluorescence (TA-LIF) to directly measure the density of neutral hydrogen in helicon sources and in the HIT-SI3 spheromak. While those experiments validated key elements of a diagnostic system that would enable similar measurements in tokamak plasmas, they did not fully address the issue of performance optimization in the presence of intense background light at the fluorescence wavelength and they also identified a number of other issues that must be resolved before successful TALIF neutral density measurements in a tokamak are likely to be achieved. Additional specific concerns raised during design reviews with the leadership of the DIII-D tokamak facility included: the minimum detection threshold for this TALIF diagnostic (currently ~ 5 x 10 15 m -3 ) and the rate at which neutral density measurements could be obtained. Improving the system performance to reduce the minimum detection threshold and demonstrating a faster rate of density determination are required to advance this diagnostic to the level where it could be considered for implementation on a major tokamak facility in the USA. The key issues that will be addressed through additional technological development are: validation of a new, chromatic aberration-free, xenon calibration scheme; increasing the output power of the laser; and suppression of background emission at the fluorescence wavelength through optimization of the collection optics and gating of the photomultiplier detector with a goal of obtaining a minimum detection threshold of 5 x 10 14 m -3 . Another key technological development, so far only tested in helicon source experiments, is the validation of Doppler-free TALIF as a means of obtaining higher speed, calibrated, neutral density measurements in tokamak-like conditions at the full cadence of the pulsed TALIF laser. In this work, we propose to complete these technological advancements through installation and testing of our prototype TALIF system on the proto-MPEX experiment at Oak Ridge National Laboratory (ORNL). The proto-MPEX facility will provide plasma conditions similar to the edge plasma of a major tokamak experiment but with pulse lengths and pulse repetition rates ideally suited for extensive development of a TALIF neutral density diagnostic. Measurement of the absolute neutral density in the edge of a magnetically confined plasma is necessary for plasma density control; calculation of charge-exchange power losses; control of plasma-wall interactions; determination of the braking of plasma flow; determination of the fuel mixture in deuterium-tritium plasma; and understanding the dynamics of the divertor region in the plasma edge. In terms of potential impact on the worldwide fusion program, we note that in burning plasma experiments, such as ITER, a 100 mJ/pulse Doppler-free TALIF diagnostic should be capable of directly measuring the deuterium/tritium (D/T) isotope ratio in the outer 0.5 to 1.0 m of the plasma radius. The D/T ratio is a critically important parameter for the control and optimization of burning plasmas. Therefore, development of the diagnostic system proposed here is also relevant to long-term US participation in diagnostic development for large tokamaks.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗