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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Simulation of the TAEs’ saturation phase in the Large Helical Device: MHD burst

Here, the aim of the present study is to analyze the saturation regime of the toroidal Alfven eigenmodes (TAE) in the Large Helical Device plasma, particularly the MHD burst. The linear and nonlinear evolution of the TAEs are simulated by the FAR3d code that uses a reduced MHD model for the thermal plasma coupled with a gyrofluid model for the energetic particle (EP) species. The linear simulations indicate the overlapping of 1/2–1/1, 2/3–2/4 and 3/5–3/6 TAEs in the inner-middle plasma region and frequency range of 45–75 kHz, triggered by EPs with an energy of T f = 45 keV and EP β = 0.022. The nonlinear simulations show that 2/3–2/4 and 3/4–3/5 TAEs are further destabilized due to the energy transfer from the 1/1–1/2 TAE, leading to broad TAE radial overlapping and triggering of the MHD burst. The energy of the 1/1–1/2 TAE is also nonlinearly transferred to the thermal plasma destabilizing the 0/0 and 0/1 modes, inducing the generation of shear flows and zonal currents, as well as large deformations in the thermal pressure and EP density radial profiles. The nonlinear simulation reproduces the same succession of instabilities and the same frequency range with respect to the experiment. The instability propagates outward during the bursting phase, showing a large decrease of the EP density profile between the middle-outer plasma, indicating the loss of part of the EP population that explains the decrease in the plasma heating efficiency observed during the MHD burst.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Analysis of the ECH effect on EPM/AE stability in Heliotron J plasma using a Landau closure model

The aim of the present study is to analyze the effect of the electron cyclotron heating (ECH) on the linear stability of Alfvén eigenmodes (AEs) and energetic particle modes (EPMs) triggered by energetic ions in Heliotron J plasma. The analysis is performed using the FAR3d code that solves a reduced MHD model to describe the thermal plasma coupled with a gyrofluid model for the energetic particle (EP) species. The simulations reproduce the AE/EPM stability trends observed in the experiments as the electron temperature (T e ) increases, modifying the thermal plasma β, EP β and EP slowing-down time. Particularly, the $n/m = 1/2$ EPM and $2/4$ Global AE are stabilized in the low-bumpiness (LB) configuration due to an enhancement of the continuum, finite Larmor radius and e-i Landau damping effects as the thermal β increases. On the other hand, a larger ECH injection power cannot stabilize the AE/EPM in medium-bumpiness and high-bumpiness (HB) configurations because the damping effects are weaker compared to the LB case, unable to balance the further destabilization induced by an enhanced EP resonance as the EP slowing-down time and EP β increases with T e .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Isotope analysis reveals dietary overlap among sympatric canids

Abstract When colonizing new regions, invading species might compete strongly with phylogenetically related species native to the regions they are colonizing, eventually leading to coexistence or displacement. In the southeast of the United States, recently established coyotes (Canis latrans) compete with red fox (Vulpes vulpes) and gray fox (Urocyon cinereoargenteus), although it remains unclear if competition is leading to resource partitioning or displacement by species. Using nitrogen and carbon stable isotopes, we tested the hypothesis that coyotes compete with foxes for food resources, with canids partitioning those resources to mitigate competition. We compared diets of canids in the southeast to those in the Plains region of the United States, a region where all three species historically have coexisted. We analyzed 217 hair samples from both regions pre-1960, prior to coyote colonization of the southeast, and post-2000, after coyotes were ubiquitous there, to assess differences in diet among species for both regions (southeast versus Plains and time periods, pre- versus postcolonization by coyotes). Modeling revealed significant dietary overlap among historical and contemporary populations in the southeast. Historically, all species partitioned resources in the Plains. Contemporarily, red fox and coyotes co-occurring in the Plains overlapped in diet; however, gray fox diet did not overlap with those of red fox and coyotes. Absence of partitioning in diet among co-occurring canids in the southeast indicates that interspecific competition could be strong in the region. Competition among canid populations in the southeast could lead to further resource partitioning among species that promotes coexistence or competitive exclusion of smaller fox species where coyote populations are abundant.

Zoology↗
DOE OSTI2021

Charge balance functions for heavy-ion collisions at energies available at the CERN Large Hadron Collider

Heavy-ion collisions at the Large Hadron Collider provide the conditions to investigate regions of quark-gluon plasma that reach higher temperatures and that persist for longer periods of time compared with collisions at the Relativistic Heavy Ion Collider. This extended duration allows correlations from charge conservation to better separate during the quark-gluon plasma phase, and thus be better distinguished from correlations that develop during the hadron phase or during hadronization. Here, charge balance functions binned by relative rapidity and azimuthal angle and indexed by species are considered. A detailed theoretical model that evolves charge correlations throughout the entirety of an event is compared with preliminary results from the ALICE Collaboration. The comparison with experiment provides insight into the evolution of the chemistry and diffusivity during the collision. A ratio of balance functions is proposed to better isolate the effects of diffusion and thus better constrain the diffusivity.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Gradient sensing via cell communication

Experimental evidence lends support to the conjecture that cell-to-cell communication plays a role in the gradient sensing of chemical species by certain chains of cells. Models have been formulated to explore this idea. For cells with no identifiable sensing structure, Mugler et al. [Proc. Natl. Acad. Sci. (U.S.A.) 113, E689 (2016)] have defined a particular local excitation, global inhibition (LEGI) model that pits nearest-neighbor communication against local reactions in a noisy environment to suggest how this sensing capability might arise in a physical system. In this study, we generalize the nearest-neighbor communication mechanism in the aforementioned LEGI model in order to explore the extent to which the gradient sensing characteristics depend on the parametrization of the communication itself, as well as on the cell size, the radius of influence of neighboring cells, and the influence of the background noise. Using our generalization and a collection of particular candidate communication models, we find that the precision of gradient sensing is indeed sensitive to the particular communication model, and we derive physical and analytic explanations for these results. The framework established and the associated results should prove useful in understanding the appropriateness of particular cell-to-cell communication models in gradient sensing studies.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Chemical and elemental mapping of spent nuclear fuel sections by soft X-ray spectromicroscopy

Soft X-ray spectromicroscopy at the O K -edge, U N 4,5 -edges and Ce M 4,5 -edges has been performed on focused ion beam sections of spent nuclear fuel for the first time, yielding chemical information on the sub-micrometer scale. To analyze these data, a modification to non-negative matrix factorization (NMF) was developed, in which the data are no longer required to be non-negative, but the non-negativity of the spectral components and fit coefficients is largely preserved. The modified NMF method was utilized at the O K -edge to distinguish between two components, one present in the bulk of the sample similar to UO 2 and one present at the interface of the sample which is a hyperstoichiometric UO 2+ x species. The species maps are consistent with a model of a thin layer of UO 2+ x over the entire sample, which is likely explained by oxidation after focused ion beam (FIB) sectioning. In addition to the uranium oxide bulk of the sample, Ce measurements were also performed to investigate the oxidation state of that fission product, which is the subject of considerable interest. Analysis of the Ce spectra shows that Ce is in a predominantly trivalent state, with a possible contribution from tetravalent Ce. Atom probe analysis was performed to provide confirmation of the presence and localization of Ce in the spent fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2021

Systemic effects of rising atmospheric vapor pressure deficit on plant physiology and productivity

Abstract Earth is currently undergoing a global increase in atmospheric vapor pressure deficit (VPD), a trend which is expected to continue as climate warms. This phenomenon has been associated with productivity decreases in ecosystems and yield penalties in crops, with these losses attributed to photosynthetic limitations arising from decreased stomatal conductance. Such VPD increases, however, have occurred over decades, which raises the possibility that stomatal acclimation to VPD plays an important role in determining plant productivity under high VPD. Furthermore, evidence points to more far‐ranging and complex effects of elevated VPD on plant physiology, extending to the anatomical, biochemical, and developmental levels, which could vary substantially across species. Because these complex effects are typically not considered in modeling frameworks, we conducted a quantitative literature review documenting temperature‐independent VPD effects on 112 species and 59 traits and physiological variables, in order to develop an integrated and mechanistic physiological framework. We found that VPD increase reduced yield and primary productivity, an effect that was partially mediated by stomatal acclimation, and also linked with changes in leaf anatomy, nutrient, and hormonal status. The productivity decrease was also associated with negative effects on reproductive development, and changes in architecture and growth rates that could decrease the evaporative surface or minimize embolism risk. Cross‐species quantitative relationships were found between levels of VPD increase and trait responses, and we found differences across plant groups, indicating that future VPD impacts will depend on community assembly and crop functional diversity. Our analysis confirms predictions arising from the hydraulic corollary to Darcy's law, outlines a systemic physiological framework of plant responses to rising VPD, and provides recommendations for future research to better understand and mitigate VPD‐mediated climate change effects on ecosystems and agro‐systems.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

First-Principles Modeling of the Repassivation of Corrosion Resistant Alloys: Part II. Surface Adsorption Isotherms for Alloys and the Chloride Susceptibility Index

Quantitatively predicting the corrosion resistance of alloys is vital to the design and application of the next generation of superior corrosion resistant alloys (CRAs). Here, the Chloride Susceptibility Index (CSI), a scientifically based quantitative descriptor for repassivation tendency of CRAs, is proposed as a metric constructed through combining atomistically resolved information regarding adsorption and alloy surface composition with environmental conditions such as applied potential, temperature, pH, and Cl – concentration. Using this method, the response of CRAs to relevant environments can be predicted. CSI is determined by: (1) estimation of thermoequilibrium surface coverages of O and Cl by a Langmuir isotherm model using adsorption energies of different species (O, Cl, OH, H 2 O) obtained from DFT. (2) determination of CSI by integrating Cl surface coverage over a realistic window of applied potentials, thereby incorporating the effect of Cl surface coverage and electrochemical environment simultaneously. A series of Ni-Cr-X alloys was used as an example to develop and validate the method through studying the effect of different alloy solutes X on chloride resistance. Here, the trends and relations predicted by CSI are in qualitative agreements with experimental observations. Moreover, a quantitative correlation is found between CSI and the repassivation potential.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Real-time infrared spectroscopy coupled with blind source separation for nuclear waste process monitoring

On-line infrared absorbance spectroscopy enables rapid measurement of solution-phase molecular species. Many spectra-to-concentration models exist for spectral data, with some models able to handle overlapping spectral bands and nonlinearities. However, model accuracy is limited by the quality of training data used in model fitting. The process spectra of nuclear waste simulants at the Savannah River Site display incongruity between training and process spectra; the glycolate spectral signature in the training data does not match the glycolate signature in Savannah River National Laboratory process data. A novel blind source separation algorithm is proposed that preprocesses spectral data so that process spectra more closely resemble training spectra, thereby improving model quantification accuracy when unexpected sources of variation appear in process spectra. The novel blind source separation preprocessing algorithm is shown to improve nitrate quantification from an R 2 of 0.934 to 0.988 and from 0.267 to 0.978 in two instances analyzing nuclear waste simulants from the Slurry Receipt Adjustment Tank and Slurry Mix Evaporator cycle at the Savannah River Site.

Crouse, Steven H.↗
DOE OSTI2021

C/2014 UN 271 (Bernardinelli-Bernstein): The Nearly Spherical Cow of Comets

Abstract Comet C/2014 UN 271 (Bernardinelli-Bernstein), incoming from the Oort cloud, is remarkable in having the brightest (and presumably largest) nucleus of any well-measured comet and having been discovered at the heliocentric distance r h ≈ 29 au, farther than any Oort cloud comet. In this work, we describe the discovery process and observations and the properties that can be inferred from images recorded until the first reports of activity in 2021 June. The orbit has i = 95°, with a perihelion of 10.97 au to be reached in 2031 and a previous aphelion at 40,400 ± 260 au. Backward integration of the orbit under a standard Galactic tidal model and known stellar encounters suggests a perihelion of q ≈ 18 au on its previous perihelion passage 3.5 Myr ago; hence, the current data could be the first ever obtained of a comet that has not been inside Uranus’s orbit in 4 Gyr. The photometric data show an unresolved nucleus with absolute magnitude H r = 8.0, colors that are typical of comet nuclei or Damocloids, and no secular trend as it traversed the range 34–23 au. For the r -band geometric albedo p r , this implies a diameter of 150 ( p r / 0.04 ) − 0.5 km. There is strong evidence of brightness fluctuations at the ±0.2 mag level, but no rotation period can be discerned. A coma, nominally consistent with a “stationary” 1/ ρ surface brightness distribution, grew in scattering cross section at an exponential rate from A f ρ ≈ 1 to ≈150 m as the comet approached from 28 to 20 au. The activity rate is consistent with a very simple model of sublimation of a surface species in radiative equilibrium with the Sun. The inferred enthalpy of sublimation matches those of CO 2 and NH 3 . More volatile species, such as N 2 , CH 4 , and CO, must be far less abundant on the sublimating surfaces.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1980

A computer simulation of the midlatitude plasmasphere and ionosphere

A computer model has been developed to simulate species density, temperature, and plasma flow in the ionosphere and plasmasphere. A new approach, the flux preserving method involving a Newton iteration, is used to solve a system of governing equations comprising four second-order partial differentials. Tests are performed to demonstrate that the simulation converges to a stable steady state solution, then steady state ion fluxes are analyzed. Finally, simulations of the collapse of the sunset ionosphere are presented. Comparisons with satellite and radar data show good agreement in a number of cases.

Young, E. R.↗
NASA NTRS1981

Chemical kinetic analysis of hydrogen-air ignition and reaction times

An anaytical study of hydrogen air kinetics was performed. Calculations were made over a range of pressure from 0.2 to 4.0 atm, temperatures from 850 to 2000 K, and mixture equivalence ratios from 0.2 to 2.0. The finite rate chemistry model included 60 reactions in 20 species of the H2-O2-N2 system. The calculations also included an assessment of how small amounts of the chemicals H2O, NOx, H2O2, and O3 in the initial mixture affect ignition and reaction times, and how the variation of the third body efficiency of H2O relative of N2 in certain key reactions may affect reaction time. The results indicate that for mixture equivalence ratios between 0.5 and 1.7, ignition times are nearly constant; however, the presence of H2O and NO can have significant effects on ignition times, depending on the mixture temperature. Reaction time is dominantly influenced by pressure but is nearly independent of initial temperature, equivalence ratio, and the addition of chemicals. Effects of kinetics on reaction at supersonic combustor conditions are discussed.

Rogers, R. C.↗
NASA NTRS1980

Laboratory and modeling studies of chemistry in dense molecular clouds

A chemical evolutionary model with a large number of species and a large chemical library is used to examine the principal chemical processes in interstellar clouds. Simple chemical equilibrium arguments show the potential for synthesis of very complex organic species by ion-molecule radiative association reactions.

Huntress, W. T., Jr.↗
NASA NTRS1982

Comets

Vacuum ultraviolet observations from sounding rockets and satellite observatories of the gaseous comae of several comets are reviewed. The earliest of these led to discovery of the hydrogen envelope extending for millions of km from the nucleus. Subsequent observations of H I Lyman alpha, the OH (0,0 band and the oxygen resonance triplet provided strong evidence for the water-ice model of the cometary nucleus. Several species were discovered in the coma including C, C(+), CO, S, and CS. High resolution spectroscopy and the spatial variation of the observed emissions provide means to elucidate the production and excitation mechanisms of these species. The similarity of the spectra of the half dozen comets observed to date argues for a common, homogeneous composition (with the exception of dust and CO) of the cometary ice and a minimal effect on the neutral species due to molecular collisions in the inner coma.

Wilkening, L. L.↗
NASA NTRS1981

Rates of fixation by lightning of carbon and nitrogen in possible primitive atmospheres

A thermochemical-hydrodynamic model of the production of trace species by electrical discharges has been used to estimate the rates of fixation of C and N by lightning in the primitive atmosphere. Calculations for various possible mixtures of CH4, CO2, CO, N2, H2, and H2O reveal that the prime species produced were probably HCN and NO and that the key parameter determining the rates of fixation was the ratio of C atoms to O atoms in the atmosphere. Atmospheres with C more abundant than O have large HCN fixation rates, in excess of 10 to the 17th molecules/J, but small NO yields. However, when O is more abundant than C, the NO fixation rate approaches 10 to the 17th molecules/J while the HCN yield is small. The implications for the evolution of life are discussed.

Chameides, W. L.↗
NASA NTRS1981

Are comets connected to the origin of life

Possible connections between comets and the origin of life on earth are discussed. The orbital evolution of comets and their origin are considered within a framework for the origin of the solar system, with particular attention given to the origin of the biosphere, and the origin of the Oort cloud. Evidence suggesting that cometary nuclei are undifferentiated throughout is considered, and a model of the average composition of a mean new comet is obtained from observational data which is similar to that of an interstellar frost. The chemistry of the model composition giving rise to the species observed in cometary spectra is considered, as well as the relations of cometary to cosmic abundances of oxygen, carbon and sulfur. The characteristics of possible sites for prebiotic chemistry, including interstellar clouds, the protosolar nebula, comets in the Oort cloud, periodic comets and the primitive earth, are examined, and a possible role of comets in bringing the interstellar prebiotic chemistry to earth is suggested.

Delsemme, A. H.↗
NASA NTRS1984

Analytic modeling of a spray diffusion flame

A detailed model for a spray diffusion flame is described. The model is based on the boundary layer form of the equations of motion, with droplet transport accounted for using a discretized droplet size distribution function. Interphase transport of mass and energy are accounted for, with a flame-sheet model used to describe the combustion process on a droplet scale. Near dynamic equilibrium is assumed for the description of droplet transport; droplets can diffuse relative to the gas phase. Gas-phase mixing is accounted for using a two-equation turbulence model; buoyancy effects are included, with a temperature fluctuation equation used to account for buoyancy effects on turbulence structure. Thermal radiation from gas-phase CO2 and H2O is included. Gas-phase chemical kinetics are modeled using a 20-reaction, 10-species version of the advanced quasi-global chemical kinetics formulation. Results are compared with data for a vaporizing Freon spray and a pentane spray flame. It is shown that the computational approach provides a reasonably valid picture of the overall development of a spray diffusion flame, and, furthermore, provides a useful tool for the parametric examination of the spray combustion process.

Harsha, P. T.↗
NASA NTRS1985

Shortwave infrared detection of vegetation

Shortwave infrared sensors were included on the Thematic Mapper (TM) to observe vegetation reflected radiance patterns related to water leaf content. Analysis of field measurements for corn and soybeans throughout the growing season showed that shortwave infrared measurements enhance discrimination between the species, particularly in midseason. A numerical model of the canopy reflectance showed that differential leaf absorptance can produce the observed patterns. Analysis of coincident studies of leaf optical properties were conducted to generalize the results to other types of vegetation.

Goward, S. N.↗