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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Probabilistic Risk Assessment of CO2 Trapping Mechanisms in a Sandstone CO2-EOR Field in Northern Texas, USA

This study employs a polynomial chaos expansion (PCE) technique to develop the reduced order models (ROMs) integrated with the Monte Carlo simulations to quantify uncertainties of CO 2 storage associated with enhanced oil recovery (EOR) in a commercial-scale CO 2 -EOR field. The Morrow B sandstone at the Farnsworth Unit (FWU) EOR field in northern Texas was selected as a case study. A 3-D reservoir model, including simulation of a five-spot injection/production well pattern, was constructed based on the data from well logs and cores, and an updated seismic interpretation in the FWU. Porosity and permeability were considered as sources of uncertainty. The 1000-realization heterogeneous random fields of porosity and permeability were generated based on the variogram analysis on the core measurements of the FWU. Three model outputs of interest include the amount of CO 2 trapped by three trapping mechanisms, i.e. hydrodynamic trapping, oil dissolution trapping, and aqueous dissolution trapping. The total of 25 runs were conducted with the simulations of a 20-year CO 2 -EOR period, and a 20-year monitoring period to develop the ROMs between uncertain model input parameters (i.e., porosity and permeability in this study) and model outputs at the end of simulation for each grid cell using PCE approach. The high coefficient of determination (R 2 ) and small normalized root mean square error (NRMSE) between the simulated (using reservoir modeling) and predicted (using ROMs) CO 2 storage indicate that the ROMs are acceptable and reliable to be used for the predictions. Given the 1000 Monte Carlo samplings of the model input parameters, cumulative distribution functions (CDFs) and uncertainty bounds (10 th and 90 th percentiles) of model outputs were estimated based on ROMs. At the end of simulation, the most injected CO 2 at the FWU was stored by hydrodynamic trapping (between 121,400 and 166,860 tonnes), followed by oil dissolution trapping (between 55,303 and 76,816 tonnes), and aqueous dissolution trapping (between 1979 and 2751 tonnes).

58 GEOSCIENCES↗
DOE OSTI2018

Primary radiation damage: A review of current understanding and models

Scientific understanding of any kind of radiation effects starts from the primary damage, i.e. the defects that are produced right after an initial atomic displacement event initiated by a high-energy particle. In this Review, we consider the extensive experimental and computer simulation studies that have been performed over the past several decades on what the nature of the primary damage is. We review both the production of crystallographic or topological defects in materials as well as radiation mixing, i.e. the process where atoms in perfect crystallographic positions exchange positions with other ones in non-defective positions. All classes of materials except biological materials are considered. We also consider the recent effort to provide alternatives to the current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model for metals. We present in detail new complementary displacement production estimators (“athermal recombination corrected dpa”, arc-dpa) and atomic mixing (“replacements per atom”, rpa) functions that extend the NRT-dpa, and discuss their advantages and limitations.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Neutron angular distribution in plutonium-240 spontaneous fission

Nuclear safeguards applications require accurate fission models that exhibit prompt neutron anisotropy. We observed an anisotropic neutron angular distribution, in the laboratory reference frame, because prompt fission neutrons carry momentum from fully accelerated fission fragments. Furthermore, a liquid organic scintillation detector array was used with pulse shape discrimination techniques to produce neutron-neutron cross-correlation time distributions and angular distributions from spontaneous fission in a 252 Cf, a 0.84 g 240 Pu eff metal, and a 1.63 g 240 Pu eff metal sample. The effect of cross-talk, estimated with MCNPX-PoliMi simulations, is removed from neutron-neutron coincidences as a function of the angle between detector pairs. Fewer coincidences were observed at detector angles near 90°, relative to higher and lower detector angles. As light output threshold increases, the observed anisotropy increases due to spectral effects arising from fission fragment momentum transfer to emitted neutrons. Stronger anisotropy was observed in Cf-252 spontaneous fission prompt neutrons than in Pu-240 neutrons.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2018

Improving atomic displacement and replacement calculations with physically realistic damage models

Atomic collision processes are fundamental to numerous advanced materials technologies such as electron microscopy, semiconductor processing and nuclear power generation. Extensive experimental and computer simulation studies over the past several decades provide the physical basis for understanding the atomic-scale processes occurring during primary displacement events. The current international standard for quantifying this energetic particle damage, the Norgett-Robinson-Torrens displacements per atom (NRT-dpa) model, has nowadays several well-known limitations. In particular, the number of radiation defects produced in energetic cascades in metals is only ~1/3 the NRT-dpa prediction, while the number of atoms involved in atomic mixing is about a factor of 30 larger than the dpa value. Here we propose two new complementary displacement production estimators (athermal recombination corrected dpa, arc-dpa) and atomic mixing (replacements per atom, rpa) functions that extend the NRT-dpa by providing more physically realistic descriptions of primary defect creation in materials and may become additional standard measures for radiation damage quantification.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Planck 2013 results. XXV. Searches for cosmic strings and other topological defects

Planck data have been used to provide stringent new constraints on cosmic strings and other defects. We describe forecasts of the CMB power spectrum induced by cosmic strings, calculating these from network models and simulations using line-of-sight Boltzmann solvers. We have studied Nambu-Goto cosmic strings, as well as field theory strings for which radiative effects are important, thus spanning the range of theoretical uncertainty in the underlying strings models. We have added the angular power spectrum from strings to that for a simple adiabatic model, with the extra fraction defined as f 10 at multipole = 10. This parameter has been added to the standard six parameter fit using COSMOMC with flat priors. For the Nambu-Goto string model, we have obtained a constraint on the string tension of G μ/c 2 < 1.5 × 10 -7 and f 10 < 0.015 at 95% confidence that can be improved to G μ/c 2 < 1.3 × 10-7 and f 10 < 0.010 on inclusion of high-&ell; CMB data. For the Abelian-Higgs field theory model we find, G μ AH /c 2 < 3.2 × 10 -7 and f 10 < 0.028. The marginalised likelihoods for f 10 and in the f 10 -Ω b h 2 plane are also presented. We have additionally obtained comparable constraints on f 10 for models with semilocal strings and global textures. In terms of the effective defect energy scale these are somewhat weaker at G μ/c 2 < 1.1 × 10 -6 . We have made complementarity searches for the specific non-Gaussian signatures of cosmic strings, calibrating with all-sky Planck resolution CMB maps generated from networks of post-recombination strings. We have validated our non-Gaussian searches using these simulated maps in a Planck -realistic context, estimating sensitivities of up to Δ G μ/c 2 &approx; 4 × 10 -7 . We have obtained upper limits on the string tension at 95% confidence of G μ/c 2 < 9.0 × 10 -7 with modal bispectrum estimation and G μ/c 2 < 7.8 × 10 -7 for real space searches with Minkowski functionals. These are conservative upper bounds because only post-recombination string contributions have been included in the non-Gaussian analysis.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

First-principles study of vacancy-assisted impurity diffusion in ZnO

Group-III elements act as donors in ZnO when incorporated on the Zn site. Their incorporation and behavior upon annealing is governed by diffusion, which proceeds mainly through a vacancy-assisted process. We report first-principles calculations for the migration of Al, Ga, and In donors in ZnO, based on density functional theory using a hybrid functional. From the calculated migration barriers and formation energies, we determine diffusion activation energies and estimate annealing temperatures. Impurity-vacancy binding energies and migration barriers decrease from Al to In. Activation energies for vacancy-assisted diffusion are lowest for In and highest for Al.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Forecasting of electronic devices lifetime on the basis of activation models of functional parameters drift

We propose a model of functional parameters drift for electronic devices, allowing predicting their lifetime. The method of model parameters estimation is developed. The developed model allows optimizing the accelerated tests modes, taking into account the complex impact of stress factors. The results are applicable for modern electronic devices with a failure rate less than 1 FIT. The results are applicable if the physical and chemical processes leading to electronic devices degradation have an activation mechanism; the activation process is due to the temperature.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Study on statistical breakdown delay time in argon gas using a W-band millimeter-wave gyrotron

In this study, we investigated plasma initiation delay times for argon volume breakdown at the W-band frequency regime. The threshold electric field is defined as the minimum electric field amplitude needed for plasma breakdown at various pressures. The measured statistical delay time showed an excellent agreement with the theoretical Gaussian distribution and the theoretically estimated formative delay time. Also, we demonstrated that the normalized effective electric field as a function of the product of pressure and formative time shows an outstanding agreement to that of 1D particle-in-cell simulation coupled with a Monte Carlo collision model [H. C. Kim and J. P. Verboncoeur, Phys. Plasmas 13, 123506 (2006)].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Magnetic states of atomic vacancies in graphite probed by scanning tunneling microscopy

Intrinsic defects in graphitic materials, like vacancies and edges, have been expected to possess magnetic states from the many-body interaction of localized electrons. However, charge screening from graphite bulk carriers significantly reduces the localization effect and hinders the observation of those magnetic states. Here, we use an ultra-low-temperature scanning tunneling microscope with a high magnetic field to observe the magnetic states of atomic vacancies in graphite generated by ion sputtering. Scanning tunneling spectroscopy reveals localized states at the vacancies, which exhibit splitting at a certain magnetic field whose separation increases with the field strength. The transition is well described by the “Anderson model,” which describes the emergence of localized magnetic states inside the metallic reservoir through electron–electron interaction. The interaction strength is estimated to be between 1 meV and 3 meV, which is supported by the density functional theory calculation. The observation provides an important foundation for application of intrinsic defects to carbon-based spintronic devices.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Role of water model on ion dissociation at ambient conditions

In this work, we study ion pair dissociation in water at ambient conditions using a combination of classical and ab initio approaches. The goal of this study is to disentangle the sources of discrepancy observed in computed potentials of mean force. In particular, we aim to understand why some models favor the stability of solvent-separated ion pairs vs contact ion pairs. We found that some observed differences can be explained by non-converged simulation parameters. However, we also unveil that for some models, small changes in the solution density can have significant effects on modifying the equilibrium balance between the two configurations. We conclude that the thermodynamic stability of contact and solvent-separated ion pairs is very sensitive to the dielectric properties of the underlying simulation model. In general, classical models are very robust in providing a similar estimation of the contact ion pair stability, while this is much more variable in density functional theory-based models. The barrier to transition from the solvent-separated to contact ion pair is fundamentally dependent on the balance between electrostatic potential energy and entropy. This reflects the importance of water intra- and inter-molecular polarizability in obtaining an accurate description of the screened ion–ion interactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

THE YOUNG STELLAR POPULATION OF THE CYGNUS-X DR15 REGION

We present a multi-wavelength study of the young stellar population in the Cygnus-X DR15 region. We studied young stars that were forming or recently formed at and around the tip of a prominent molecular pillar and an infrared dark cloud. Using a combination of ground-based near-infrared, space-based infrared, and X-ray data, we constructed a point source catalog from which we identified 226 young stellar sources, which we classified into evolutionary classes. We studied their spatial distributions across the molecular gas structures and identified several groups that possibly belong to distinct young star clusters. We obtained samples of these groups and constructed K-band luminosity functions that we compared with those of artificial clusters, allowing us to make first order estimates of the mean ages and age spreads of the groups. We used a {sup 13}CO(1-0) map to investigate the gas kinematics at the prominent gaseous envelope of the central cluster in DR15, and we inferred that the removal of this envelope is relatively slow compared to other cluster regions, in which the gas dispersal timescale could be similar or shorter than the circumstellar disk dissipation timescale. The presence of other groups with slightly older ages, associated with much less prominent gaseous structures, may imply that the evolution of young clusters in this part of the complex proceeds in periods that last 3–5 Myr, perhaps after a slow dissipation of their dense molecular cloud birthplaces.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

The Spitzer survey of stellar structure in galaxies (S{sup 4}G): Precise STELLAR mass distributions from automated dust correction at 3.6 μm

The mid-infrared is an optimal window to trace stellar mass in nearby galaxies and the 3.6 μm IRAC band has been exploited to this effect, but such mass estimates can be biased by dust emission. We present our pipeline to reveal the old stellar flux at 3.6 μm and obtain stellar mass maps for more than 1600 galaxies available from the Spitzer Survey of Stellar Structure in Galaxies (S{sup 4}G). This survey consists of images in two infrared bands (3.6 and 4.5 μm), and we use the Independent Component Analysis (ICA) method presented in Meidt et al. to separate the dominant light from old stars and the dust emission that can significantly contribute to the observed 3.6 μm flux. We exclude from our ICA analysis galaxies with low signal-to-noise ratio (S/N<10) and those with original [3.6]–[4.5] colors compatible with an old stellar population, indicative of little dust emission (mostly early Hubble types, which can directly provide good mass maps). For the remaining 1251 galaxies to which ICA was successfully applied, we find that as much as 10%–30% of the total light at 3.6 μm typically originates from dust, and locally it can reach even higher values. This contamination fraction shows a correlation with specific star formation rates, confirming that the dust emission that we detect is related to star formation. Additionally, we have used our large sample of mass estimates to calibrate a relationship of effective mass-to-light ratio (M/L) as a function of observed [3.6]–[4.5] color: log(M/L) = −0.339(±0.057) × ([3.6]−[4.5])−0.336(±0.002). Our final pipeline products have been made public through IRSA, providing the astronomical community with an unprecedentedly large set of stellar mass maps ready to use for scientific applications.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

On the implementation of the spherical collapse model for dark energy models

In this work we review the theory of the spherical collapse model and critically analyse the aspects of the numerical implementation of its fundamental equations. By extending a recent work by [1], we show how different aspects, such as the initial integration time, the definition of constant infinity and the criterion for the extrapolation method (how close the inverse of the overdensity has to be to zero at the collapse time) can lead to an erroneous estimation (a few per mill error which translates to a few percent in the mass function) of the key quantity in the spherical collapse model: the linear critical overdensity δ{sub c}, which plays a crucial role for the mass function of halos. We provide a better recipe to adopt in designing a code suitable to a generic smooth dark energy model and we compare our numerical results with analytic predictions for the EdS and the ΛCDM models. We further discuss the evolution of δ{sub c} for selected classes of dark energy models as a general test of the robustness of our implementation. We finally outline which modifications need to be taken into account to extend the code to more general classes of models, such as clustering dark energy models and non-minimally coupled models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Halo exclusion criteria impacts halo statistics

ABSTRACT Every halo-finding algorithm must make a critical yet relatively arbitrary choice: it must decide which structures are parent haloes, and which structures are subhaloes of larger haloes. We refer to this choice as percolation. We demonstrate that the choice of percolation impacts the statistical properties of the resulting halo catalogue. Specifically, we modify the halo-finding algorithm rockstar to construct three different halo catalogues from the same simulation data, each with identical mass definitions, but different choice of percolation. The resulting haloes exhibit significant differences in both halo abundance and clustering properties. Differences in the halo mass function reach 6 per cent for haloes of mass $10^{13}\ h^{-1}\ {\rm {\rm M}_{\odot }}$, larger than the few per cent precision necessary for current cluster abundance experiments such as the Dark Energy Survey. Comparable differences are observed in the large-scale clustering bias, while differences in the halo–matter correlation function reach 30 per cent on translinear scales. These effects can bias weak-lensing estimates of cluster masses at a level comparable to the statistical precision of current state-of-the-art experiments.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Impact of baryonic feedback on HSC-Y1 weak lensing non-Gaussian statistics

Baryonic feedback is a major systematic in weak lensing cosmology. Its most studied effect is the suppression of the lensing power spectrum, a second-order statistic, on small scales. Motivated by the growing interest in statistics beyond the second order, we investigate the effect of baryons on lensing non-Gaussian statistics and the resulting biases in the matter clustering amplitude S 8 = σ 8 Ω m / 0.3 . We focus on the Subaru Hyper Suprime-Cam Year 1 (HSC-Y1) data which, with its high source number density, closely resembles those expected from the upcoming Euclid and Rubin Legacy Survey of Space and Time. We study four non-Gaussian statistics of convergence maps—peak counts, minimum counts, the probability distribution function, and the scattering transform coefficients—in addition to the usual power spectrum. We first estimate the biases in S 8 using mock observations built from the IllustrisTNG and BAHAMAS hydrodynamical simulations and theoretical models built from dark-matter-only simulations. We find up to 1 σ bias in S 8 when the smallest scales (2 arcmin) and the highest feedback level are considered. We then analyze the HSC-Y1 data and compare the S 8 obtained for each statistic with different smoothing scales or scale cuts. As we expect that baryons mostly affect the small scales, comparing the results obtained from including and excluding small scales can indicate the level of impact from baryons. With HSC data, we find only minor ( ≤ 0.5 σ ) differences in S 8 for all statistics, even when considering very small scales (2 arcmin). Our results suggest that the effect of baryons is insignificant at the level of HSC-Y1 down to 2 arcmin for all statistics examined here, or it is canceled by other scale-dependent systematics.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Mitigating Cascading Outages in Severe Weather Using Simulation-Based Optimization

Severe weather events can trigger cascading power outages and lead to significant losses. In this work, we investigate cascading outage mitigation under severe weather conditions. Given day-ahead weather forecasts and component failure models, we aim to identify a set of power lines that can be hardened to minimize the expected impact of potential cascading outages. Since the expected load shedding cannot be expressed as an explicit function of line hardening decisions and system states, we developed a cascading outage simulator to estimate the expected value of load shedding under various initial weather-related disruption scenarios generated using a weather forecast. To avoid massive enumeration of all possible combinations of line hardening decisions and reduce the simulation efforts, we employed an efficient simulation-based optimization approach that quickly identifies the (near) optimal line hardening decisions in the presence of both large simulation noises due to the highly variable initial disturbances and system states, and significant randomness in the subsequent cascades. Furthermore, the algorithm is also able to utilize parallel computing to dramatically reduce computation time to support decision making in preparation for severe weather conditions. We performed a case study on the Northeast Power Coordinating Council (NPCC) 140-bus system model to demonstrate that our approach can significantly improve power grid resilience to adverse weather events.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2019

Escape Depth of Secondary and Photoelectrons from CdTe Films with a Ba Film

Escape zone depths λ' for true-secondary electrons and photoelectrons from pure CdTe and CdTe with a Ba film of thickness θ ≤ 1 monolayer have been estimated for the first time. It is shown that upon a decrease of the work function of the surface by 2 eV, the value of λ' increases by 1.2–1.3 times.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗