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At least 685 records · Page 38

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DOE OSTI2014

Functionalization of SBA-15 mesoporous silica by Cu-phosphonate units: Probing of synthesis route

Mesoporous silica SBA-15 containing propyl-copper phosphonate units was investigated. The structure of mesoporous samples was tested by N{sub 2} isothermal sorption (BET and BHJ analysis), TEM microscopy and X-Ray scattering. Quantitative analysis EDX has given information about proportions between component atoms in the sample. Quantitative elemental analysis has been carried out to support EDX. To examine bounding between copper atoms and phosphonic units the Raman spectroscopy was carried out. As a support of Raman scattering, the theoretical calculations were made based on density functional theory, with the B3LYP method. By comparison of the calculated vibrational spectra of the molecule with experimental results, distribution of the active units inside silica matrix has been determined. - Graphical abstract: The present study is devoted to mesoporous silica SBA-15 containing propyl-copper phosphonate units. The species were investigated to confirm of synthesis procedure correctness by the micro-Raman technique combined with DFT numerical simulations. Complementary research was carried out to test the structure of mesoporous samples. - Highlights: • SBA-15 silica functionalized with propyl-copper phosphonate units was synthesized. • Synthesis efficiency probed by Raman study supported with DFT simulations. • Homogenous distribution of active units was proved. • Synthesis route enables precise control of distance between copper ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Short-range ordering of ion-implanted nitrogen atoms in SiC-graphene

We perform a structural analysis of nitrogen-doped graphene on SiC(0001) prepared by ultra low-energy ion bombardment. Using scanning tunneling microscopy, we show that nitrogen atoms are incorporated almost exclusively as graphitic substitution in the graphene honeycomb lattice. With an irradiation energy of 25 eV and a fluence of approximately 5 × 10{sup 14 }cm{sup −2}, we achieve a nitrogen content of around 1%. By quantitatively comparing the position of the N-atoms in the topography measurements with simulated random distributions, we find statistically significant short-range correlations. Consequently, we are able to show that the dopants arrange preferably at lattice sites given by the 6 × 6-reconstruction of the underlying substrate. This selective incorporation is most likely triggered by adsorbate layers present during the ion bombardment. This study identifies low-energy ion irradiation as a promising method for controlled doping in epitaxial graphene.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2025

GridLAB-D Technical Support Document: Residential Equivalent Thermal Parameter Model

GridLAB-D is a power distribution systems simulation and analysis tool developed by Pacific Northwest National Laboratory. Although GridLAB-D and its underlying residential load model has been used in a variety of power systems analyses, comprehensive documentation of the derivation of the residential house model has not been formally published. The purpose of this technical support document is to serve as a comprehensive resource for the thermal dynamics modeling and house definition implemented in GridLAB-D. It covers model derivation, parameter definitions, and implementation steps in the codebase.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2011

Torqued fireballs in relativistic heavy-ion collisions

We show that the fluctuations in the wounded-nucleon model of the initial stage of relativistic heavy-ion collisions, together with the natural assumption that the forward- (backward-) moving wounded nucleons emit particles preferably in the forward (backward) direction, lead to an event-by-event torqued fireball. The principal axes associated with the transverse shape are rotated in the forward region in the opposite direction than in the backward region. On the average, the standard deviation of the relative torque angle between the forward and backward rapidity regions is {approx}20 deg. for the central and 10 deg. for the midperipheral collisions. The hydrodynamic expansion of a torqued fireball leads to a torqued collective flow, yielding, in turn, torqued principal axes of the transverse-momentum distributions at different rapidities. We propose experimental measures, based on cumulants involving particles in different rapidity regions, which should allow for a quantitative determination of the effect from the data. To estimate the nonflow contributions from resonance decays we run Monte Carlo simulations with therminator, a thermal heavy-ion generator. If the event-by-event torque effect is found in the data, it will support the assumptions concerning the fluctuations in the early stage of the fireball formation, as well as the hypothesis of the asymmetric rapidity shape of the emission functions of the moving sources in the nucleus-nucleus collisions.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2012

SURVEY DESIGN FOR SPECTRAL ENERGY DISTRIBUTION FITTING: A FISHER MATRIX APPROACH

The spectral energy distribution (SED) of a galaxy contains information on the galaxy's physical properties, and multi-wavelength observations are needed in order to measure these properties via SED fitting. In planning these surveys, optimization of the resources is essential. The Fisher Matrix (FM) formalism can be used to quickly determine the best possible experimental setup to achieve the desired constraints on the SED-fitting parameters. However, because it relies on the assumption of a Gaussian likelihood function, it is in general less accurate than other slower techniques that reconstruct the probability distribution function (PDF) from the direct comparison between models and data. We compare the uncertainties on SED-fitting parameters predicted by the FM to the ones obtained using the more thorough PDF-fitting techniques. We use both simulated spectra and real data, and consider a large variety of target galaxies differing in redshift, mass, age, star formation history, dust content, and wavelength coverage. We find that the uncertainties reported by the two methods agree within a factor of two in the vast majority ({approx}90%) of cases. If the age determination is uncertain, the top-hat prior in age used in PDF fitting to prevent each galaxy from being older than the universe needs to be incorporated in the FM, at least approximately, before the two methods can be properly compared. We conclude that the FM is a useful tool for astronomical survey design.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

THE DEPENDENCE OF PRESTELLAR CORE MASS DISTRIBUTIONS ON THE STRUCTURE OF THE PARENTAL CLOUD

The mass distribution of prestellar cores is obtained for clouds with arbitrary internal mass distributions using a selection criterion based on the thermal and turbulent Jeans mass and applied hierarchically from small to large scales. We have checked this methodology by comparing our results for a log-normal density probability distribution function with the theoretical core mass function (CMF) derived by Hennebelle and Chabrier, namely a power law at large scales and a log-normal cutoff at low scales, but our method can be applied to any mass distributions representing a star-forming cloud. This methodology enables us to connect the parental cloud structure with the mass distribution of the cores and their spatial distribution, providing an efficient tool for investigating the physical properties of the molecular clouds that give rise to the prestellar core distributions observed. Simulated fractional Brownian motion (fBm) clouds with the Hurst exponent close to the value H = 1/3 give the best agreement with the theoretical CMF derived by Hennebelle and Chabrier and Chabrier's system initial mass function. Likewise, the spatial distribution of the cores derived from our methodology shows a surface density of companions compatible with those observed in Trapezium and Ophiucus star-forming regions. This method also allows us to analyze the properties of the mass distribution of cores for different realizations. We found that the variations in the number of cores formed in different realizations of fBm clouds (with the same Hurst exponent) are much larger than the expected root N statistical fluctuations, increasing with H.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Traveling Wave Relays for Distribution Feeder Protection with High Penetrations of Distributed Energy Resources

Increased penetration of power electronics interfaced Distributed Energy Resources (DER) like PV, electric vehicle and battery storage in the distribution system (both in numbers and sizes) may cause bi-directional power flows under normal operation. In addition, they contribute low fault current under short circuit conditions. These two changes can impact the proper operation of legacy protection systems. This can add additional challenges during weak grid and islanded operation. In this research, traveling wave (high frequency) signature based protection scheme is proposed for future distribution systems. Simulations are performed under different transient scenarios to provide insight into the high frequency signatures to show the traveling wave behavior. Finally, this paper discusses the importance of sensing and digital processing requirements for traveling-wave protection in distribution system.

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2017

Action-based Dynamical Modeling for the Milky Way Disk: The Influence of Spiral Arms

RoadMapping is a dynamical modeling machinery developed to constrain the Milky Way’s (MW) gravitational potential by simultaneously fitting an axisymmetric parametrized potential and an action-based orbit distribution function (DF) to discrete 6D phase-space measurements of stars in the Galactic disk. In this work, we demonstrate RoadMapping's robustness in the presence of spiral arms by modeling data drawn from an N-body simulation snapshot of a disk-dominated galaxy of MW mass with strong spiral arms (but no bar), exploring survey volumes with radii 500 pc⩽r{sub max}⩽5 kpc. The potential constraints are very robust, even though we use a simple action-based DF, the quasi-isothermal DF. The best-fit RoadMapping model always recovers the correct gravitational forces where most of the stars that entered the analysis are located, even for small volumes. For data from large survey volumes, RoadMapping finds axisymmetric models that average well over the spiral arms. Unsurprisingly, the models are slightly biased by the excess of stars in the spiral arms. Gravitational potential models derived from survey volumes with at least r{sub max}=3 kpc can be reliably extrapolated to larger volumes. However, a large radial survey extent, r{sub max}∼5 kpc, is needed to correctly recover the halo scale length. In general, the recovery and extrapolability of potentials inferred from data sets that were drawn from inter-arm regions appear to be better than those of data sets drawn from spiral arms. Our analysis implies that building axisymmetric models for the Galaxy with upcoming Gaia data will lead to sensible and robust approximations of the MW’s potential.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2021

Traveling Wave Relays for Distribution Feeder Protection with High Penetrations of Distributed Energy Resources: Preprint

41 EE - Solar Energy Technologies Office (EE-4S)↗

DOE OSTI2021

Traveling Wave Relays for Distribution Feeder Protection with High Penetrations of Distributed Energy Resources

41 EE - Solar Energy Technologies Office (EE-4S)↗

NASA NTRS1998

A Generalized Fluid System Simulation Program to Model Flow Distribution in Fluid Networks

This paper describes a general purpose computer program for analyzing steady state and transient flow in a complex network. The program is capable of modeling phase changes, compressibility, mixture thermodynamics and external body forces such as gravity and centrifugal. The program's preprocessor allows the user to interactively develop a fluid network simulation consisting of nodes and branches. Mass, energy and specie conservation equations are solved at the nodes; the momentum conservation equations are solved in the branches. The program contains subroutines for computing "real fluid" thermodynamic and thermophysical properties for 33 fluids. The fluids are: helium, methane, neon, nitrogen, carbon monoxide, oxygen, argon, carbon dioxide, fluorine, hydrogen, parahydrogen, water, kerosene (RP-1), isobutane, butane, deuterium, ethane, ethylene, hydrogen sulfide, krypton, propane, xenon, R-11, R-12, R-22, R-32, R-123, R-124, R-125, R-134A, R-152A, nitrogen trifluoride and ammonia. The program also provides the options of using any incompressible fluid with constant density and viscosity or ideal gas. Seventeen different resistance/source options are provided for modeling momentum sources or sinks in the branches. These options include: pipe flow, flow through a restriction, non-circular duct, pipe flow with entrance and/or exit losses, thin sharp orifice, thick orifice, square edge reduction, square edge expansion, rotating annular duct, rotating radial duct, labyrinth seal, parallel plates, common fittings and valves, pump characteristics, pump power, valve with a given loss coefficient, and a Joule-Thompson device. The system of equations describing the fluid network is solved by a hybrid numerical method that is a combination of the Newton-Raphson and successive substitution methods. This paper also illustrates the application and verification of the code by comparison with Hardy Cross method for steady state flow and analytical solution for unsteady flow.

Majumdar, Alok↗

NASA NTRS2012

The Distribution of Snow Black Carbon observed in the Arctic and Compared to the GISS-PUCCINI Model

In this study, we evaluate the ability of the latest NASA GISS composition-climate model, GISS-E2- PUCCINI, to simulate the spatial distribution of snow BC (sBC) in the Arctic relative to present-day observations. Radiative forcing due to BC deposition onto Arctic snow and sea ice is also estimated. Two sets of model simulations are analyzed, where meteorology is linearly relaxed towards National Centers for Environmental Prediction (NCEP) and towards NASA Modern Era Reanalysis for Research and Applications (MERRA) reanalyses. Results indicate that the modeled concentrations of sBC are comparable with presentday observations in and around the Arctic Ocean, except for apparent underestimation at a few sites in the Russian Arctic. That said, the model has some biases in its simulated spatial distribution of BC deposition to the Arctic. The simulations from the two model runs are roughly equal, indicating that discrepancies between model and observations come from other sources. Underestimation of biomass burning emissions in Northern Eurasia may be the main cause of the low biases in the Russian Arctic. Comparisons of modeled aerosol BC (aBC) with long-term surface observations at Barrow, Alert, Zeppelin and Nord stations show significant underestimation in winter and spring concentrations in the Arctic (most significant in Alaska), although the simulated seasonality of aBC has been greatly improved relative to earlier model versions. This is consistent with simulated biases in vertical profiles of aBC, with underestimation in the lower and middle troposphere but overestimation in the upper troposphere and lower stratosphere, suggesting that the wet removal processes in the current model may be too weak or that vertical transport is too rapid, although the simulated BC lifetime seems reasonable. The combination of observations and modeling provides a comprehensive distribution of sBC over the Arctic. On the basis of this distribution, we estimate the decrease in snow and sea ice albedo and the resulting radiative forcing. We suggest that the albedo reduction due to BC deposition presents significant space-time variations, with highest mean reductions of 1.25% in the Russian Arctic, which are much larger than those in other Arctic regions (0.39% to 0.64 %). The averaged value over the Arctic north of 66degN is 0.4-0.6% during spring, leading to regional surface radiative forcings of 0.7, 1.1 and 1.0Wm(exp−2) in spring 2007, 2008 and 2009, respectively.

Dou, T.↗

NASA NTRS1993

Martian surface simulations

Computer generated surfaces have been created to aid in imaging, landing and rover studies for Mars and the moon. They are also being applied to the study of cratering histories. The surfaces are generated in steps which attempt to mimic geologic episodes. Surface roughness is realized fractally, while craters and other specific features have shapes and distributions dictated by observation. Surface materials are assigned appropriate albedos, making the images more realistic. With the inclusion of correlations between crater and rock distributions, the simulations are beginning to acquire a predictive capability.

Gaskell, Robert W.↗

NASA NTRS2001

A Regional Model Study of Synoptic Features Over West Africa

Synoptic weather features over West Africa were studied in simulations by the regional simulation model (RM) at the NASA/Goddard Institute for Space Studies. These pioneering simulations represent the beginning of an effort to adapt regional models for weather and climate prediction over West Africa. The RM uses a cartesian grid with 50 km horizontal resolution and fifteen vertical levels. An ensemble of four simulations was forced with lateral boundary conditions from ECMWF global analyses for the period 8-22 August 1988. The simulated mid-tropospheric circulation includes the skillful development and movement of several African wave disturbances. Wavelet analysis of mid-tropospheric winds detected a dominant periodicity of about 4 days and a secondary periodicity of 5-8 days. Spatial distributions of RM precipitation and precipitation time series were validated against daily rain gauge measurements and ISCCP satellite infrared cloud imagery. The time-space distribution of simulated precipitation was made more realistic by combining the ECMWR initial conditions with a 24-hr spin-up of the moisture field and also by damping high frequency gravity waves by dynamic initialization. Model precipitation "forecasts" over the Central Sahel were correlated with observations for about three days, but reinitializing with observed data on day 5 resulted in a dramatic improvement in the precipitation validation over the remaining 9 days. Results imply that information via the lateral boundary conditions is not always sufficient to minimize departures between simulated and actual precipitation patterns for more than several days. In addition, there was some evidence that the new initialization may increase the simulations' sensitivity to the quality of lateral boundary conditions.

Druyan, Leonard M.↗

NASA NTRS2022

Electron Anisotropies in Magnetotail Dipolarization Events

Anisotropic electron distributions can be a major source of free energy for the generation of microinstabilities and waves. Here we investigate specifically anisotropies of the suprathermal electrons associated with dipolarization events in the geomagnetic tail. The investigation is based on an MHD simulation of magnetotail reconnection, flow bursts and dipolarization. This simulation is used to trace test particles in the electromagnetic fields of the MHD simulation and investigate their acceleration and contributions to flux increases. The simulated velocity distributions yield anisotropies which can be dominantly parallel (“cigar”-shaped), perpendicular (“pancake”-shaped) to the magnetic field, or a combination thereof (e.g., “rolling-pin”-shaped), depending on location, relative timing, and energy.

electron anisotropies↗

DOE OSTI2011

Effect of Particle Size Distribution on Slurry Rheology: Nuclear Waste Simulant Slurries

Controlling the rheological properties of slurries has been of great interest in various industries such as cosmetics, ceramic processing, and nuclear waste treatment. Many physicochemical parameters, such as particle size, pH, ionic strength, and mass/volume fraction of particles, can influence the rheological properties of slurry. Among such parameters, the particle size distribution of slurry would be especially important for nuclear waste treatment because most nuclear waste slurries show a broad particle size distribution. We studied the rheological properties of several different low activity waste nuclear simulant slurries having different particle size distributions under high salt and high pH conditions. Using rheological and particle size analysis, it was found that the percentage of colloid-sized particles in slurry appears to be a key factor for rheological characteristics and the efficiency of rheological modifiers. This behavior was shown to be coupled with an existing electrostatic interaction between particles under a low salt concentration. Our study suggests that one may need to implement the particle size distribution as a critical factor to understand and control rheological properties in nuclear waste treatment plants, such as the U.S. Department of Energy’s Hanford and Savannah River sites, because the particle size distributions significantly vary over different types of nuclear waste slurries.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2017

ANALYZING METEOROID FLIGHTS USING PARTICLE FILTERS

Fireball observations from camera networks provide position and time information along the trajectory of a meteoroid that is transiting our atmosphere. The complete dynamical state of the meteoroid at each measured time can be estimated using Bayesian filtering techniques. A particle filter is a novel approach to modeling the uncertainty in meteoroid trajectories and incorporates errors in initial parameters, the dynamical model used, and observed position measurements. Unlike other stochastic approaches, a particle filter does not require predefined values for initial conditions or unobservable trajectory parameters. The Bunburra Rockhole fireball, observed by the Australian Desert Fireball Network (DFN) in 2007, is used to determine the effectiveness of a particle filter for use in fireball trajectory modeling. The final mass is determined to be 2.16±1.33 kg with a final velocity of 6030±216 m s{sup −1}, similar to previously calculated values. The full automatability of this approach will allow an unbiased evaluation of all events observed by the DFN and lead to a better understanding of the dynamical state and size frequency distribution of asteroid and cometary debris in the inner solar system.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Emergence of kinetic behavior in streaming ultracold neutral plasmas

Not Available

McQuillen, P.↗