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At least 1,495 records · Page 83

CMPLE: Correlation Modeling to Decode Photosynthesis Using the Minorize–Maximize Algorithm

In plant genomic experiments, correlations among various biological traits (phenotypes) give new insights into how genetic diversity may have tuned biological processes to enhance fitness under diverse conditions. Consequently, knowing how the correlations are affected by genetic (G) and environmental (E) factors helps develop climate-resilient plants. However, the current literature lacks any method for assessing the effect of predictors on pairwise correlations among multiple phenotypes together with easily interpretable model parameters. To address this need, we propose to model pairwise correlations directly in terms of G and E and develop a computationally efficient inference procedure. Two major novelties in our methodology are (1) the use of a composite pairwise likelihood method to avoid the positive definiteness restriction on the correlation matrix and (2) the use of a novel Minorize–Maximize (MM) algorithm for the efficient estimation of a large number of parameters. The proposed method shows excellent numerical performance on synthetic datasets. Here, the analysis of the motivating data on cowpea reveals that the rates of solar energy storage by photosynthesis (the aggregate trait) are differentially affected by different genetic loci through two distinct processes: “photoinhibition” which results from photodamage caused by excess light, and “photoprotection” which protects plants from photodamage but also results in energy loss.

Correlation modeling↗

Machine learning based approach to predict ductile damage model parameters for polycrystalline metals

Damage models for ductile materials typically need to be parameterized, often with the appropriate parameters changing for a given material depending on the loading conditions. This can make parameterizing these models computationally expensive, since an inverse problem must be solved for each loading condition. Using standard inverse modeling techniques typically requires hundreds or thousands of high-fidelity computer simulations to estimate the optimal parameters. Additionally, the time of a human expert is required to set up the inverse model. Machine learning has recently emerged as an alternative approach to inverse modeling in these settings, where the machine learning model is trained in an offline manner and new parameters can be quickly generated on the fly, after training is complete. Here, this work utilizes such a workflow to enable the rapid parameterization of a ductile damage model called TEPLA with a machine learning inverse model. The machine learning model can efficiently estimate the model parameters much faster, as compared to previously employed methods, such as Bayesian calibration. The results demonstrate good accuracy on a synthetic test dataset and is validated against experimental data.

36 MATERIALS SCIENCE↗

The solubility of ErPO 4 and Er speciation in hydrothermal fluids at varying pH and salinity between 350 and 450 °C

The rare earth elements (REE) are important for the green-energy transition and can be incorporated into the REE phosphates, such as xenotime-(Y), which also hosts heavy REE (Tb– Lu). Xenotime-(Y) is a common accessory mineral in metamorphic rocks and a range of mineral deposits where it controls the mobility of heavy REE, however, the impact of high temperature aqueous fluids on the behavior of heavy REE is largely unknown. Thermodynamic modeling can be utilized as a tool to predict the mobility of REE in hydrothermal aqueous fluids, but must be supported by accurate experimental data. Here, we measured the solubility of endmember synthetic xenotime-structured ErPO4 in NaCl-HCl-NaOH-bearing aqueous solutions at 350 °C and water vapor saturation pressure, at 400 and at 450 °C and 500 bar using batch-type Inconel reactors. Erbium speciation was investigated as a function of pH from 2.8 to 8, where Er chloride species are predominant at acidic conditions (pH <3) and Er hydroxyl complexes are predominant at near- neutral to alkaline conditions (pH >3). At pH 7–9, the measured ErPO 4 solubility (-9.8 to -7.5 log m Er ) is up to 2.5 orders of magnitude lower than thermodynamic predictions (-9.4 to -6.7 log m Er ) using existing thermodynamic databases. At pH 2–3, the predicted ErPO 4 solubility is ~0.5 orders of magnitude higher at 350 °C and ~1 order of magnitude lower at 450 °C compared to experimentally measured Er concentrations. The thermodynamic properties of aqueous Er species were therefore revised in this study. The partial molal Gibbs energy of formation (Δ f G 0 T,P ) for aqueous Er hydroxyl and chloride species are optimized using GEMSFITS and the logarithmic formation constants (logβ n ( Cl,OH) ) were derived at each experimental temperature and pressure. The updated thermodynamic properties for Er hydroxyl species (Er(OH) +2 , Er(OH) 2 + , and Er(OH) 3 0 ) show that their stability shifts to more acidic conditions at and below 400 °C. The Er chloride species (ErCl +2 and ErCl 2 + ) show increased stability compared to Er hydroxyl species at temperatures of 450 °C and 0.01 mol/kg NaCl. The updated thermodynamic properties are implemented into the GEM-Selektor modeling package to investigate the mobility of Er in saline hydrothermal fluids in equilibrium with alkaline rocks. Importantly, the updated properties for Er hydroxyl species result in low Er solubility at rock equilibrated pH conditions due to an expanded hydroxyl predominance zone, but lower aqueous complex stability overall, whereas previous models suggest greater stability for aqueous Er species. Furthermore, ErPO 4 solubility increases with decreasing temperature due to the deprotonation of HCl, which increases the acidity of hydrothermal fluids and the availability of Cl - to complex with the REE. These simulations highlight how fluid-rock reaction and temperature affect the mobility of REE in hydrothermal ore-forming systems.

58 GEOSCIENCES↗

Observation of laser ablation of silicon as a function of pulse length at constant fluence via time-resolved x-ray spectroscopy

We investigate the ablation of silicon as a function of laser pulse length at a constant fluence using time-resolved x-ray spectroscopy data obtained from OMEGA EP experiments at the University of Rochester's Laboratory for Laser Energetics. Our targets consisted of three-layer planar structures composed of Si (50 μm), Cu (25 μm), and SiO 2 (500 μm) layers. The Si layer was irradiated by a 351-nm laser with varying pulse widths of 250 ps, 500 ps, 1 ns, and 10 ns while maintaining a constant fluence of ~27.9 kJ/cm 2 . Electron temperatures and densities of the ablated plasma were determined by analyzing the time-resolved x-ray spectroscopy data through a comparison of experimental measurements with synthetic results obtained from Si atomic calculations in a steady state and non-local thermodynamic equilibrium. These calculations were computed using PrismSPECT. Additionally, radiation-hydrodynamics simulations with FLASH are used to generate simulated plasma-density and plasma-temperature profiles, which are then compared with the experimental measurements. Our analyses reveal that increasing the laser pulse length at a constant fluence results in a decrease in electron temperatures and densities. Furthermore, the longer pulses with lower intensities lead to deeper ablation regions before reaching the peak ablation but lower ionization balances in the silicon layer. Furthermore, these findings emphasize the critical role of laser pulse length in plasma ablation and shock generation for laser-impulse studies.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Model data for numerical evaluation of photosensitive tracers as a strategy for separating surface and subsurface transient storage in streams

This model-data archive pertains to a study aimed at the numerical evaluation of the photosensitive tracers as a potential strategy for separating the effects of surface and hyporheic storage zones (SSZs and HSZs, respectively). Separating effects of SSZ and HSZ are important for accurately representing stream function as HSZs and SSZs expose solutes to significantly different biogeochemical conditions. We perform numerical experiments using a multiscale reactive transport model for stream corridors implemented in ATS code, which allows for representing multiple storage zones with their respective travel time distributions and biogeochemistry. For each of the numerical experiment, we provide in this model-data archive python wrapper to drive ATS (forward_model.py), synthetic observation (synthetic_btc.py, BTC_observed.csv), forward model files including ATS input (multiscale_transport.tpl), PFLOTRAN inputs (reactions_channel.tpl, reactions_hz.tpl, reactions_sz.tpl), MCMC (mcmc_run.py), predictive uncertainty (pred_uncert.py, BTCs_simulated_day.csv, BTCs_simulated_night.csv), MCMC outputs (tracer_test_GR.npy, tracer_test_logps.npy, tracer_test_parameters.npy) and Jupyter notebook for post-processing and visualization (post-processing.ipynb). For the denitrification application, ATS input file (denitrification_multisubgrid.tpl), PFLOTRAN input files (denitrification_channel.in, denitrification_hz.in), predictive uncertainty (pred_uncert_denitrification.py, BTCs_simulated_DO.csv, BTCs_simulated_DOC.csv, BTCs_simulated_Nitrate.csv).

54 ENVIRONMENTAL SCIENCES↗

Black Holes: Connecting Theory and Simulation to Observation [Slides]

Agenda: Review the relevant basics of black holes and black hole astrophysics. Discuss the underlying principles and methodology behind simulating infalling plasma, along with recent advances. Show how we generate synthetic X-ray spectra starting from simulation data. Connect these X-ray spectra to real observations. What are the current challenges facing this technique, and how might they be resolved?

79 ASTRONOMY AND ASTROPHYSICS↗

Genesis Mission-Enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE)

Argonne National Laboratory is supporting the U.S. Department of Transportation’s (USDOT’s) Bureau of Transportation Statistics (BTS) with collaborative research on development and application of privacy preserving AI frameworks that leverage unmatched AI expertise and secure computing resources made available through the U.S. Genesis Mission1 . This research advances U.S. energy security goals by supporting a safe offshore energy industry with secure, domain-specific AI tools to analyze confidential industry datasets collected by BTS to rapidly improve identification of hazards, precursors, and systemic safety risks in high-risk operational environments. The staged, security-first approach begins with development and testing of Argonne’s Genesis Mission-enabled Secure AI to Fortify Energy Process Safety (Genesis-SAFE) framework within Argonne’s accredited secure computing enclave (ABLE) leveraging Argonne’s AI scientific assistant substrate (AISAC). Methods to build synthetic datasets were developed together with BTS for use in preparing synthetic datasets that can be used to validate data containment, governance, and security controls in the ABLE environment. Future research directions would focus on applying the Genesis-SAFE framework to CIPSEA-protected datasets entirely within ABLE to support confidentiality-preserving analysis of safety risks, trends, and contributing factors.

Kim, Hyekyung [Argonne National Laboratory (ANL), ↗

Editorial: Bioconversion and Biorefinery of C1 Compounds

The past decade has seen significant progress in the field of metabolic engineering and synthetic biology. The exponentially growing multi-omics data and technological advances in the development of efficient genetic manipulation tools and techniques have allowed scientists to explore and expand their understanding of microbial metabolisms and further develop sophisticated engineering strategies to realize the use of industrial "workhorses" and non-conventional microorganisms for sustainable bioconversion and biorefinery. There is of great interest for the research community in using C1 compounds (i.e., CO 2 , CO/syngas, methane, methanol) as the next generation feedstocks for microbial cell factories and biocatalysts to promote the sustainable development of a green economy (Figure 1). Considering lowering input costs is also a main consideration for successful business ventures, the use of inexpensive, abundant, and widely accessible C1 compounds is envisioned as a promising route for the sustainable production of fine chemicals, fuels, and other high-value products. Many C1 compounds are waste gases from industrial activities and may have detrimental effects on climate change upon emission into the atmosphere. Therefore, promoting the use of C1 compounds as renewable carbon feedstocks can greatly contribute to the reduction of anthropogenic emission of air pollutants.

09 BIOMASS FUELS↗

Relative toxicity of products of pyrolysis and combustion of polymeric materials using various test conditions

Relative toxicity data for a large number of natural and synthetic polymeric materials are presented which were obtained by 11 pyrolysis and three flaming-combustion test methods. The materials tested include flexible and rigid polyurethane foams, different kinds of fabrics and woods, and a variety of commodity polymers such as polyethylene. Animal exposure chambers of different volumes containing mice, rats, or rabbits were used in the tests, which were performed over the temperature range from ambient to 800 C with and without air flow or recirculation. The test results are found to be sensitive to such variables as exposure mode, temperature, air flow and dilution, material concentration, and animal species, but relative toxicity rankings appear to be similar for many methods and materials. It is concluded that times to incapacitance and to death provide a more suitable basis for relative toxicity rankings than percent mortality alone, that temperature is the most important variable in the tests reported, and that variables such as chamber volume and animal species may not significantly affect the rankings.

Hilado, C. J.↗

Radar monitoring of surface and internal glacial flow and iceberg movement

The paper is concerned with the monitoring of glaciers, icebergs, and ice shelves by the use of synthetic aperture radar, buried electromagnetic transponders, and surface data collection platforms. Procedures for determining surface and internal glacial flow vectors and for tracking individual icebergs are described. The design, emplacement, and discrimination of radar targets are considered.

Drake, B.↗

Near-infrared spectra of the Galilean satellites - Observations and compositional implications

Reflectivity spectra of the trailing and leading sides of Io, Europa, Callisto, and Ganymede are analyzed which were obtained at an altitude of 41,000 ft from the Kuiper Airborne Observatory with circular variable filter-wheel spectrometers in the spectral region from 0.7 to 5.5 microns. The data are compared with laboratory spectrum and with synthetic spectra constructed on the basis of simple multiscattering theory. The 2.9-micron feature in Callisto's spectra is attributed primarily to bound water; the fractional amounts of water-ice cover on the trailing and leading sides of Ganymede and on the leading side of Europa are estimated. The bare-ground areas on Ganymede are shown to have reflectivity properties comparable to those of Callisto's surface in the studied spectral region, and the surfaces of both satellites are found to contain significant quantities of bound water. It is suggested that minor but significant amounts of ferrous-bearing material (either ferrous salts or alkali feldspars) can account for the 1.35-micron feature of Io.

Pollack, J. B.↗

The aluminum I autoionization doublet in the quiet solar spectrum

Observations are presented of the Al I autoionization doublet 1932 A and 1936 A in the quiet solar spectrum, obtained from the NRL slit spectrograph aboard Skylab and from the University of Hawaii Echelle Rocket Spectrograph. The observed profiles are compared with theoretical spectra computed for the Harvard Smithsonian Reference Atmosphere and the Vernazza, Avrett and Loeser (1976) solar models. It is found that nonlocal thermodynamic equilibrium effects are important in the line-formation problem and the synthetic spectra are in good agreeement with the data.

Heasley, J. N.↗

SEASAT SAR performance evaluation study

The performance of the SEASAT synthetic aperture radar (SAR) sensor was evaluated using data processed by the MDA digital processor. Two particular aspects are considered the location accuracy of image data, and the calibration of the measured backscatter amplitude of a set of corner reflectors. The image location accuracy was assessed by selecting identifiable targets in several scenes, converting their image location to UTM coordinates, and comparing the results to map sheets. The error standard deviation is measured to be approximately 30 meters. The amplitude was calibrated by measuring the responses of the Goldstone corner reflector array and comparing the results to theoretical values. A linear regression of the measured against theoretical values results in a slope of 0.954 with a correlation coefficient of 0.970.

Source record↗

On the use of L-band multipolarization airborne SAR for surveys of crops, vineyards, and orchards in a California irrigated agricultural region

The airborne L-band synthetic aperture radar (SAR) collected multipolarization calibrated image data over an irrigated agricultural test site near Fresno, CA, on March 6, 1984. The conclusions of the study are as follows: (1) the effects of incidence angle on the measured backscattering coefficients could be removed by using a correction factor equal to the secant of the angle raised to the 1.4 power, (2) for this scene and time of year, the various polarization channels were highly correlated such that the use of more than one polarization added little to the ability of the radar to discriminate vegetation type or condition; the exception was barley which separated from vineyards only when a combination of like and cross polarization data were used (polarization was very useful for corn identification in fall crops), (3) an excellent separation between herbaceous vegetation (alfalfa, barley, and oats) or bare fields and trees in orchards existed in brightness was well correlated to alfalfa height or biomass, especially for the HH polarization combination, (5) vineyards exhibited a narrow range of brightnesses with no systematic effects of type or number of stakes nor of number of wires in the trellises nor of the size of the vines, (6) within the orchard classes, areal biomass characterized by basal area differences caused radar image brightness differences for small to medium trees but not for medium to large trees.

Paris, J. F.↗

Imaging radar polarimetry from wave synthesis

A new approach is reported to the measurement of the complete polarization signature of each resolution element in an image implemented with an airborne synthetic aperture radar system. Signals recorded on one data pass from orthogonal linearly polarized antennas are utilized. The signals are combined in a data processor to synthesize any desired combination of transmit and receive polarizations. The technique permits measurement of the complex, multichannel reflectivity of a scene on a single aircraft pass and to late reprocess the data to provide multiple image maps, with each representing the backscattered energy from the scene measured with a different combination of observational transmit and recieve polarizations. The resulting polarization signature measurements indicate optimum polarizations for observations of certain classes of objects and give insight into the identification of dominant scattering mechanisms for each kind of object. The mathematical model for polarization synthesis is summarized, and some theoretical polarization measurements are illustrated for several types of targets. The overall radar system implementation is described in detail. Some analyses of data acquired on three aircraft flights are presented. The technique has been applied to mapping and differentiation of lava flows and to differentiation of forested and clear-cut areas.

Zebker, Howard A.↗

The nature of the interior of Uranus based on studies of planetary ices at high dynamic pressure

Data from the Voyager II spacecraft showed that Uranus has a large magnetic field with geometry similar to an offset tilted dipole. To interpret the origin of the magnetic field, measurements were made of electrical conductivity and equation-of-state data of the planetary 'ices' ammonia, methane, and 'synthetic Uranus' at shock pressures and temperatures up to 75 gigapascals and 5000 K. These pressures and temperatures correspond to conditions at the depths at which the surface magnetic field is generated. Above 40 gigapascals the conductivities of synthetic Uranus, water, and ammonia plateau at about 20/(ohm-cm), providing an upper limit for the electrical conductivity used in kinematic or dynamo calculations. The nature of materials at the extreme conditions in the interior is discussed.

Nellis, W. J.↗

A Mars orbital laser altimeter for rover trafficability: Instrument concept and science potential

Limited information on the types of geologic hazards (boulders, troughs, craters etc.) that will affect rover trafficability on Mars are available for the two Viking Lander sites, and there are no prospects for increasing this knowledge base in the near future. None of the instrument payloads on the upcoming Mars Observer or Soviet PHOBOS missions can directly measure surface obstacles on the scales of concern for rover safety (a few meters). Candidate instruments for the Soviet Mars 92 orbiter/balloon/rover mission such as balloon-borne stereo imaging, rover panoramic imaging, and orbital synthetic aperature imaging (SAR) are under discussion, but data from this mission may not be available for target areas of interest for the U.S. Mars Rover Sample Return (MRSR) mission. In an effort to determine how to directly measure the topography of surface obstacles that could affect rover trafficability on Mars, we are studying how to design a laser altimeter with extremely high spatial and vertical resolution that would be suitable for a future Mars Orbiter spacecraft (MRSR precursor or MRSR orbiter). This report discusses some of the design issues associated with such an instrument, gives examples of laser altimeter data collected for Mars analog terrains on Earth, and outlines the scientific potential of data that could be obtained with the system.

Garvin, J. B.↗

Polarimetric observations of comet Levy 1990c and of other comets: Some clues to the evolution of cometary dust

The evolution with the phase angle alpha of the polarization degree P of light scattered by comet Halley's dust is well documented. No significant discrepancy is found between Halley and Levy polarization curves near the inversion point. From all available cometary observations, we have derived polarimetric synthetic curves. Typically, a set of about 200 data points in the red wavelengths range exhibits a minimum for (alpha approximately equals 10.3 degrees, P approximately equals 1.8 percent) and an inversion point for (alpha approximately equals 22.4 degrees, P = 0 percent), with a slop of about 0.27 percent per degree. A significant spreading of some data (comets Austin 1982VI, Austin 1989c1, West 1976VI) is found at large phase angles. The analysis of our polarimetric maps of Levy reveals that the inner coma is heterogeneous. The increase of the inversion angle value with increasing distance from the photometric center is suspected to be due to the evolution with time of grains ejected from the nucleus. A fan like structure could be produced by a jet of grains freshly ejected.

Levasseur-Regourd, Anny-Chantal↗