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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 397 records · Page 22

Readout models for BaFBr 0.85 I 0.15 :Eu image plates

The linearity of the photostimulated luminescence process makes repeated image-plate scanning a viable technique to extract more dynamic range. In order to obtain a response estimate, two semi-empirical models for the readout fading of an image plate are introduced; they relate the depth distribution of activated photostimulated luminescence centers within an image plate to the recorded signal. Model parameters are estimated from image-plate scan series with BAS-MS image plates and the Typhoon FLA 7000 scanner for the hard x-ray image-plate diagnostic over a collection of experiments providing x-ray energy spectra whose approximate shape is a double exponential.

47 OTHER INSTRUMENTATION↗

PROPERTIES OF THE MOLECULAR CORES OF LOW LUMINOSITY OBJECTS

We present a survey toward 16 low luminosity objects (LLOs with an internal luminosity, L{sub int}, lower than 0.2 L{sub ⊙}) with N{sub 2}H{sup +} (1–0), N{sub 2}H{sup +} (3–2), N{sub 2}D{sup +} (3–2), HCO{sup +} (3–2), and HCN (3–2) using the Arizona Radio Observatory Kitt Peak 12 m Telescope and Submillimeter Telescope. Our goal is to probe the nature of these faint protostars which are believed to be either very low mass or extremely young protostars. We find that the N{sub 2}D{sup +}/N{sub 2}H{sup +} column density ratios of LLOs are similar to those of typical starless cores and Class 0 objects. The N{sub 2}D{sup +}/N{sub 2}H{sup +} column density ratios are relatively high (>0.05) for LLOs with kinetic temperatures less than 10 K in our sample. The distribution of N{sub 2}H{sup +} (1–0) line widths spreads between that of starless cores and young Class 0 objects. If we use the line width as a dynamic evolutionary indicator, LLOs are likely young Class 0 protostellar sources. We further use the optically thick tracers, HCO{sup +} (3–2) and HCN (3–2), to probe the infall signatures of our targets. We derive the asymmetry parameters from both lines and estimate the infall velocities by fitting the HCO{sup +} (3–2) spectra with two-layer models. As a result, we identify eight infall candidates based on the infall velocities and seven candidates have infall signatures supported by asymmetry parameters from at least one of HCO{sup +} (3–2) and HCN (3–2)

79 ASTRONOMY AND ASTROPHYSICS↗

Combined $\mathrm{APOGEE}$-$\mathrm{GALAH}$ stellar catalogues using the Cannon

APOGEE and GALAH are two high resolution multi-object spectroscopic surveys that provide fundamental stellar parameters and multiple elemental abundance estimates for about half a million stars in the Milky Way. Both surveys observe in different wavelength regimes and use different data reduction pipelines leading to significant offsets and trends in stellar parameters and abundances for the common stars observed in both surveys. Such systematic differences/offsets in stellar parameters and abundances make it difficult to effectively utilize them to investigate Galactic abundance trends in spite of the unique advantage provided by their complementary sky coverage and different Milky Way components they observe. Hence, we use the Cannon data-driven method selecting a training set of 4418 common stars observed by both surveys. This enables the construction of two catalogues, one with the APOGEE-scaled and the other with the GALAH-scaled stellar parameters. Using repeat observations in APOGEE and GALAH, we find high precision in metallicity (~0.02–0.4 dex) and alpha abundances (~0.02–0.03 dex) for spectra with good signal-to-noise ratio (SNR >; 80 for APOGEE and SNR > 40 for GALAH). We use open and globular clusters to validate our parameter estimates and find small scatter in metallicity (0.06 dex) and alpha abundances (0.03 dex) in APOGEE-scaled case. The final catalogues have been cross-matched with the Gaia EDR3 catalogue to enable their use to carry out detailed chemo-dynamic studies of the Milky Way from perspectives of APOGEE and GALAH.

79 ASTRONOMY AND ASTROPHYSICS↗

Assessing the Influence of Microphysical and Environmental Parameter Perturbations on Orographic Precipitation

Microphysical (MP) schemes contain parameters whose values can impact the amount and location of forecasted precipitation, and sensitivity is typically explored by perturbing one parameter at a time while holding the rest constant. Although much can be learned from these “one-at-a-time” studies, the results are limited as these methods do not allow for nonlinear interactions of multiple perturbed parameters. This study applies the Morris one-at-a-time (MOAT) method, a robust statistical tool allowing for simultaneous perturbation of numerous parameters, to explore orographic precipitation sensitivity to changes in microphysical and environmental parameters within an environment characteristic of an atmospheric river. Results show parameters associated with snow fall speed coefficient A s and density ρ s , ice-cloud water collection efficiency (ECI), rain accretion (WRA), relative humidity, zonal wind speed, and surface potential temperature cause the largest influence on simulated precipitation. MP and environmental parameter perturbations can cause precipitation changes of similar magnitude, but results vary by location on the mountain. Different environments are also tested, with A s being the most influential MP parameter regardless of environment. Fewer MP parameters influence precipitation in a faster-wind-speed environment, possibly due to the stronger dynamical forcing upwind and different wave dynamics downwind, compared to a slower-wind-speed environment. Finally, perturbing MP parameters within a single scheme can result in precipitation variations of similar magnitude compared to using entirely different microphysics schemes. MOAT results presented in this study have implications for Bayesian parameter estimation methods and stochastic parameterization within ensemble forecasting.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Energy Modeling in Urban Districts: Forecast of Multi-Sector Energy Use and GHG Emissions

This document reports the findings of the energy use and greenhouse gases (GHG) emissions model loosely based on three districts in the San Francisco Bay Area, District A, District B, and District C. Modeling platforms exist for city energy benchmarking, inventorying, and GHG emissions forecasting and planning. However, the wide variety and features of today’s tools, their focus on a sub-set or snapshot data from various energy generation and consumption sectors, and the fact that many of them are not open data models, create sub-optimal environments for the energy analysis districts are seeking to conduct. Hence, we have developed a new software tool with customized data and dynamic visualization; DEPICT (Decision-support and Emissions Prediction Interactive Cities Tool) to obtain energy and emissions forecasts at different stages of the districts’ build-out by varying selected design parameters. This report presents the methodology and framework we have developed to estimate whole district emissions and details the results by district, with the objective of finding insights into the main sources of emissions, and the available levers to reduce them efficiently. This document details the impact of each emissions mitigation measure investigated, along with the assumption and models that were used to reach these values

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Performance Comparison of SDN Solutions for Switching Dedicated Long-Haul Connections

We consider scenarios with two sites connected over a dedicated, long-haul connection that must quickly fail-over in response to degradations in host-to-host application performance. We present two methods for path fail-over using OpenFlowenabled switches: (a) a light-weight method that utilizes host scripts to monitor the application performance and dpctl API for switching, and (b) a generic method that uses two OpenDaylight (ODL) controllers and REST interfaces. The restoration dynamics of the application contain significant statistical variations due to the controllers, north interfaces and switches; in addition, the variety of vendor implementations further complicates the choice between different solutions. We present the impulse-response method to estimate the regressions of performance parameters, which enables a rigorous and objective comparison of different solutions. We describe testing results of the two methods, using TCP throughput and connection rtt as main parameters, over a testbed consisting of HP and Cisco switches connected over longhaul connections emulated in hardware by ANUE devices. The combination of analytical and experimental results demonstrates that dpctl method responds seconds faster than ODL method on average, while both methods restore TCP throughput.

longhaul↗

THE COS-HALOS SURVEY: AN EMPIRICAL DESCRIPTION OF METAL-LINE ABSORPTION IN THE LOW-REDSHIFT CIRCUMGALACTIC MEDIUM

We present the equivalent width and column density measurements for low and intermediate ionization states of the circumgalactic medium (CGM) surrounding 44 low-z, L Almost-Equal-To L* galaxies drawn from the COS-Halos survey. These measurements are derived from far-UV transitions observed in HST/COS and Keck/HIRES spectra of background quasars within an impact parameter R < 160 kpc to the targeted galaxies. The data show significant metal-line absorption for 33 of the 44 galaxies, including quiescent systems, revealing the common occurrence of a cool (T Almost-Equal-To 10{sup 4}-10{sup 5} K), metal-enriched CGM. The detection rates and column densities derived for these metal lines decrease with increasing impact parameter, a trend we interpret as a declining metal surface density profile for the CGM. A comparison of the relative column densities of adjacent ionization states indicates that the gas is predominantly ionized. The large surface density in metals demands a large reservoir of metals and gas in the cool CGM (very conservatively, M {sup cool} {sub CGM} > 10{sup 9} M {sub Sun }), which likely traces a distinct density and/or temperature regime from the highly ionized CGM traced by O{sup +5} absorption. The large dispersion in absorption strengths (including non-detections) suggests that the cool CGM traces a wide range of densities or a mix of local ionizing conditions. Lastly, the kinematics inferred from the metal-line profiles are consistent with the cool CGM being bound to the dark matter halos hosting the galaxies; this gas may serve as fuel for future star formation. Future work will leverage this data set to provide estimates on the mass, metallicity, dynamics, and origin of the cool CGM in low-z, L* galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗

Forward and adjoint sensitivity computation of chaotic dynamical systems

This paper describes a forward algorithm and an adjoint algorithm for computing sensitivity derivatives in chaotic dynamical systems, such as the Lorenz attractor. The algorithms compute the derivative of long time averaged “statistical” quantities to infinitesimal perturbations of the system parameters. The algorithms are demonstrated on the Lorenz attractor. We show that sensitivity derivatives of statistical quantities can be accurately estimated using a single, short trajectory (over a time interval of 20) on the Lorenz attractor.

97 MATHEMATICS AND COMPUTING↗

Investigation of oxygen self-diffusion in PuO 2 by combining molecular dynamics with thermodynamic calculations

In the present work, the defect properties of oxygen self-diffusion in PuO 2 are investigated over a wide temperature (300–1900 K) and pressure (0–10 GPa) range, by combining molecular dynamics simulations and thermodynamic calculations. Based on the well-established cBΩ thermodynamic model which connects the activation Gibbs free energy of diffusion with the bulk elastic and expansion properties, various point defect parameters such as activation enthalpy, activation entropy, and activation volume were calculated as a function of T and P. Molecular dynamics calculations provided the necessary bulk properties for the proper implementation of the thermodynamic model, in the lack of any relevant experimental data. The estimated compressibility and the thermal expansion coefficient of activation volume are found to be more than one order of magnitude greater than the corresponding values of the bulk plutonia. As a result, the diffusion mechanism is discussed in the context of the temperature and pressure dependence of the activation volume.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Transport properties of alkali metal doped fullerides

We have studied the intercage interactions between the adjacent C{sub 60} cages and expansion of lattice due to the intercalation of alkali atoms based on the spring model to estimate phonon frequencies from the dynamical matrix for the intermolecular alkali-C{sub 60} phonons. We considered a two-peak model for the phonon density of states to investigate the nature of electron pairing mechanism for superconducting state in fullerides. Coulomb repulsive parameter and the electron phonon coupling strength are obtained within the random phase approximation. Transition temperature, T{sub c}, is obtained in a situation when the free electrons in lowest molecular orbital are coupled with alkali-C{sub 60} phonons as 5 K, which is much lower as compared to reported T{sub c} (20 K). The superconducting pairing is mainly driven by the high frequency intramolecular phonons and their effects enhance it to 22 K. The importance of the present study, the pressure effect and normal state transport properties are calculated within the same model leading superconductivity.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

A new model for the radio emission from SN 1994I and an associated search for radio transients in M51

We revisit the exquisite archival radio data for the Type Ic supernova SN 1994I and present a revised model for the supernova (SN) radio emission and a pilot study that aims to constrain the rate of C-band radio transients within the face-on host galaxy, M51 (NGC 5194). We find that the temporal and spectral evolution of the SN 1994I radio emission are well fit by a synchrotron self-absorption model and use this to estimate physical parameters. We compute a pre-explosion mass loss rate of M-dot =3.0×10{sup −5} M{sub ⊙} yr{sup −1} for the progenitor, consistent with those observed from galactic Wolf–Rayet stars. Our model makes different assumptions for the dynamical model for the shockwave interaction than the model previously published by Weiler et al., but our M-dot is consistent with theirs to within errors and assumptions. Drawing from a subset of the archival radio observations from the Very Large Array collected for the monitoring of SN 1994I, we conduct a pilot study to search for previously unidentified transients. Data were primarily taken at a frequency of 4.9 GHz and are logarithmic in cadence, enabling sensitivity to transients with variability timescales ranging from days to months. We find no new transient detections in 31 epochs of data, allowing us to place a 2σ upper limit of 17 deg{sup −2} for the source density of radio transients above 0.5 mJy (L ≳ 4×10{sup 25} erg s{sup −1} Hz{sup −1} at the distance of M51). This study highlights the feasibility of utilizing archival high-cadence radio studies of SN host galaxies to place constraints on the radio transient rate as a function of luminosity in the local universe.

79 ASTRONOMY AND ASTROPHYSICS↗

Evaluation of Converter Performance Considering Static and Dynamic Device Part-to-Part Variability

This paper presents a methodology to incorporate and analyze the impact of semiconductor device part-to-part variation on power converter performance. By integrating extensive static and dynamic device characterization data with an automated compact model generation process that reflects manufacturing variability, device models with inherent variability features are utilized in converter simulations for a comprehensive assessment of performance impacts. The traditional converter performance evaluation process typically yields fixed efficiency values, often dismissing the inherent part-to-part variability caused by the manufacturing process of semiconductor devices. To address this limitation, a large population of devices was characterized to capture variations in static parameters-such as transfer, output, and capacitance characteristics-as well as dynamic behaviors, including switching losses. This data-driven approach enables the development of individual compact models, which were then integrated into converter simulations to evaluate efficiency ranges rather than single point estimated values. The converter simulation results show that part-to-part component variation can lead to significant efficiency deviations, exceeding several percentage points in high-power conversion applications. By offering a more accurate representation of converter behavior under real-world manufacturing conditions, this methodology enables designers to anticipate performance variability, improving the robustness of power converter designs.

device characterization↗

The Application of an Evolutionary Programming Process to a Simulation of the ETEX Large-Scale Airborne Dispersion Experiment

Abstract Airborne tracer simulations are typically performed using a dispersion model driven by a high-resolution meteorological model. Besides solving the dynamic equations of momentum, heat, and moisture on the resolved model grid, mesoscale models must account for subgrid-scale fluxes and other unresolved processes. These are estimated through parameterization schemes of eddy diffusion, convection, and surface interactions, and they make use of prescribed parameters set by the user. Such “free” model parameters are often poorly constrained, and a range of plausible values exists for each. Evolutionary programming (EP) is a process to improve the selection of the parameters. A population of simulations is first run with a different set of parameter values for each member, and the member judged most accurate is selected as the “parent” of a new “generation.” After a number of iterations, the simulations should approach a configuration that is best adapted to the atmospheric conditions. We apply the EP process to simulate the first release of the 1994 European Tracer Experiment (ETEX) project, which comprised two experiments in which a tracer was released in western France and sampled by an observing network. The EP process is used to improve a simulation of the RAMS mesoscale weather model, with weather data collected during ETEX being used to “score” the individual members according to how well each simulation matches the observations. The meteorological simulations from before and after application of the EP process are each used to force a dispersion model to create a simulation of the ETEX release, and substantial improvement is observed when these are validated against sampled tracer concentrations.

54 ENVIRONMENTAL SCIENCES↗

Leveraging 35 years of Pinus taeda research in the southeastern US to constrain forest carbon cycle predictions: regional data assimilation using ecosystem experiments

Predicting how forest carbon cycling will change in response to climate change and management depends on the collective knowledge from measurements across environmental gradients, ecosystem manipulations of global change factors, and mathematical models. Formally integrating these sources of knowledge through data assimilation, or model–data fusion, allows the use of past observations to constrain model parameters and estimate prediction uncertainty. Data assimilation (DA) focused on the regional scale has the opportunity to integrate data from both environmental gradients and experimental studies to constrain model parameters. Here, we introduce a hierarchical Bayesian DA approach (Data Assimilation to Predict Productivity for Ecosystems and Regions, DAPPER) that uses observations of carbon stocks, carbon fluxes, water fluxes, and vegetation dynamics from loblolly pine plantation ecosystems across the southeastern US to constrain parameters in a modified version of the Physiological Principles Predicting Growth (3-PG) forest growth model. The observations included major experiments that manipulated atmospheric carbon dioxide (CO 2 ) concentration, water, and nutrients, along with nonexperimental surveys that spanned environmental gradients across an 8.6 × 10 5 km 2 region. We optimized regionally representative posterior distributions for model parameters, which dependably predicted data from plots withheld from the data assimilation. While the mean bias in predictions of nutrient fertilization experiments, irrigation experiments, and CO 2 enrichment experiments was low, future work needs to focus modifications to model structures that decrease the bias in predictions of drought experiments. Predictions of how growth responded to elevated CO 2 strongly depended on whether ecosystem experiments were assimilated and whether the assimilated field plots in the CO 2 study were allowed to have different mortality parameters than the other field plots in the region. We present predictions of stem biomass productivity under elevated CO 2 , decreased precipitation, and increased nutrient availability that include estimates of uncertainty for the southeastern US. Overall, we (1) demonstrated how three decades of research in southeastern US planted pine forests can be used to develop DA techniques that use multiple locations, multiple data streams, and multiple ecosystem experiment types to optimize parameters and (2) developed a tool for the development of future predictions of forest productivity for natural resource managers that leverage a rich dataset of integrated ecosystem observations across a region.

54 ENVIRONMENTAL SCIENCES↗

Network-Wide Traffic Signal Control Using Bilinear System Modeling and Adaptive Optimization

This study proposes a new multi-input multi-output optimal bilinear signal control method in which a bilinear dynamic model approximation is used to capture the nonlinear dynamics of the urban traffic networks. With signal green time splits as the control input and traffic delay changes as the output for each intersections in the network, a bilinear system model was developed, which, on the basis of linear system modeling, takes interactions among traffic delays and signal timing splits into consideration. Based on the bilinear system modeling framework, we conducted two steps in each time interval to derive traffic control strategies: (1) we used the normalized least-squared algorithm to estimate system parameters; and (2) we solved an online optimization problem to obtain the updated traffic control inputs for the signal timing that minimizes future traffic delays. We evaluated the proposed method in a microscopic traffic simulation environment (VISSIM) with a 35-intersection network of Bellevue city in Washington. Two different traffic demand patterns: (1) normal traffic demands; and (2) time-varying traffic demands were simulated to compare the performance of different control strategies. Experimental results show that (1) the proposed bilinear system model can better describe traffic system dynamics than linear-model based methods, such as our previously developed linear-quadratic regulator control; and (2) the proposed method outperforms the state-of-the-art signal control strategies, namely the max-pressure and the self-organizing traffic light control methods. We have also shown that the proposed method is applicable to all other possible network layouts and signal controller phasing structures.

42 ENGINEERING↗

Phosphorus sorption on tropical soils with relevance to Earth system model needs

Phosphorus (P) availability critically limits the productivity of tropical forests growing on highly weathered, low-P soils. Although efforts to incorporate P into Earth system models (ESMs) provide an opportunity to better estimate tropical forest response to climate change, P sorption dynamics and controls on soil P availability are not well constrained. Here, we measured P and dissolved organic carbon (DOC) sorption isotherms on 23 soils from tropical Oxisol, Ultisol, Inceptisol, Andisol, and Aridisol soils using P concentrations from 10 to 500mg P L -1 , and DOC concentrations from 10 to 100mg DOC L -1 . Isotherms were fit to the Langmuir equation and parameters were related to soil characteristics. Maximum P sorption capacity ( Qmax ) was significantly correlated with clay content (ρ=0.658) and aluminium (Al)- or iron (Fe)-oxide concentrations (ρ=0.470 and 0.461 respectively), and the DOC Qmax was correlated with Fe oxides (ρ=0.491). Readily available soil characteristics could eventually be used to estimate Qmax values. Analysis of literature values demonstrated that the maximum initial P concentration added to soils had a significant impact on the resultant Qmax , suggesting that an insufficiently low initial P range could underestimate Qmax . This study improves methods for measuring P Qmax and estimating Qmax in the absence of isotherm analyses and provides key data for use in ESMs.

54 ENVIRONMENTAL SCIENCES↗

Phase equilibrium of liquid water and hexagonal ice from enhanced sampling molecular dynamics simulations

We study the phase equilibrium between liquid water and ice Ih modeled by the TIP4P/Ice interatomic potential using enhanced sampling molecular dynamics simulations. Our approach is based on the calculation of ice Ih-liquid free energy differences from simulations that visit reversibly both phases. The reversible interconversion is achieved by introducing a static bias potential as a function of an order parameter. The order parameter was tailored to crystallize the hexagonal diamond structure of oxygen in ice Ih. Furthermore, we analyze the effect of the system size on the ice Ih-liquid free energy differences, and we obtain a melting temperature of 270 K in the thermodynamic limit. This result is in agreement with estimates from thermodynamic integration (272 K) and coexistence simulations (270 K). Since the order parameter does not include information about the coordinates of the protons, the spontaneously formed solid configurations contain proton disorder as expected for ice Ih.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Bubble nucleation in simple and molecular liquids via the largest spherical cavity method

In this work, we propose a methodology to compute bubble nucleation free energy barriers using trajectories generated via molecular dynamics simulations. We follow the bubble nucleation process by means of a local order parameter, defined by the volume of the largest spherical cavity (LSC) formed in the nucleating trajectories. This order parameter simplifies considerably the monitoring of the nucleation events, as compared with the previous approaches which require ad hoc criteria to classify the atoms and molecules as liquid or vapor. The combination of the LSC and the mean first passage time technique can then be used to obtain the free energy curves. Upon computation of the cavity distribution function the nucleation rate and free-energy barrier can then be computed. We test our method against recent computations of bubble nucleation in simple liquids and water at negative pressures. We obtain free-energy barriers in good agreement with the previous works. The LSC method provides a versatile and computationally efficient route to estimate the volume of critical bubbles the nucleation rate and to compute bubble nucleation free-energies in both simple and molecular liquids.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗