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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Wellbore Cement Porosity Evolution in Response to Mineral Alteration during CO 2 Flooding

Mineral reactions during CO 2 sequestration will change the pore-size distribution and pore surface characteristics, complicating permeability and storage security predictions. In this study, we report a small/wide angle scattering study of wellbore cement that has been exposed to carbon dioxide for three decades. We have constructed detailed contour maps that describe local porosity distributions and the mineralogy of the sample and relate these quantities to the carbon dioxide reaction front on the cement. We find that the initial bimodal distribution of pores in the cement, 1–2 and 10–20 nm, is affected differently during the course of carbonation reactions. Initial dissolution of cement phases occurs in the 10–20 nm pores and leads to the development of new pore spaces that are eventually sealed by CaCO 3 precipitation, leading to a loss of gel and capillary nanopores, smoother pore surfaces, and reduced porosity. This suggests that during extensive carbonation of wellbore cement, the cement becomes less permeable because of carbonate mineral precipitation within the pore space. Additionally, the loss of gel and capillary nanoporosities will reduce the reactivity of cement with CO 2 due to reactive surface area loss. Finally, this work demonstrates the importance of understanding not only changes in total porosity but also how the distribution of porosity evolves with reaction that affects permeability.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2019

Particle Size Analysis and Distribution

Scanning Electron Microscope (SEM) is a instrument used for examining samples at magnifications from 32 X to 500,000 X (for our instrument). The SEM is attached with an electron gun and is directed onto the sample. The sample then produces an image where it is read on the monitor. The electron gun is positioned at the top because it needs to shoot at the sample that is being tested. The electrons are then shot in a downward motion traveling through several lenses, such as the condenser lens for a more precise reading. Once the samples have been read by the instrument, it will show a picture that has a certain number of particles. Particle size distribution have many uses that are essential to life habits (health) or even conventional use for example construction. Here are just a few examples of how particle size analysis and distribution are being used even today. This Standard Reference Material (SRM) is primarily intended for use in the calibration of equipment used to measure particle size distributions (PSD) in the 9 μm to 30 μm range. A unit of SRM 1984 consists of a single bottle containing approximately 14 g of tungsten carbide/cobalt powder. Certified values: The PSD values at five mass percentiles were measured by scanning electron microscopy (SEM) and laser light scattering (LLS). The NIST certified PSD values by SEM are listed. These certified values were determined by the measurement of over 10 000 individual particles from three bottles. Comparing the certified NIST SRM 1984 tungsten carbide/cobalt powder with our results are almost identical. This is great because more accurate work can be done and proves that our laboratory is able to reproduce NIST results. In conclusion, the scanning electron microscope is used to capture the sampled element and display it to be counted. Without the use of particle distribution, it would be a difficult time to get necessities such as medicine, asthma pumps, constructing materials, or as simple as ink. Overall, our study is an experimental comparison of the techniques we have in house, which are LLS and SEM (combined with the NIH ImageJ software) using the NIST SRM-1984 as a common, well characterized sample so that we have an idea of how the results from the techniques compare.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1979

Photogeological constraints on lunar and planetary vulcanism, part 1

Central volcanic constructs were studied as constraints on the thermal evolution and regional tectonics of the Moon and terrestrial planets. The origins of sub-kilometer lunar craters were examined with regards to implications for mare basalt petrogenesis. The morphology, distribution, age, and tectonic setting of the volcanic constructs were studied using Viking Orbiter data.

Source record↗
DOE OSTI2016

REVISED MODEL OF THE STEADY-STATE SOLAR WIND HALO ELECTRON VELOCITY DISTRIBUTION FUNCTION

A recent study discussed the steady-state model for solar wind electrons during quiet time conditions. The electrons emanating from the Sun are treated in a composite three-population model—the low-energy Maxwellian core with an energy range of tens of eV, the intermediate ∼10{sup 2}–10{sup 3} eV energy-range (“halo”) electrons, and the high ∼10{sup 3}–10{sup 5} eV energy-range (“super-halo”) electrons. In the model, the intermediate energy halo electrons are assumed to be in resonance with transverse EM fluctuations in the whistler frequency range (∼10{sup 2} Hz), while the high-energy super-halo electrons are presumed to be in steady-state wave–particle resonance with higher-frequency electrostatic fluctuations in the Langmuir frequency range (∼10{sup 5} Hz). A comparison with STEREO and WIND spacecraft data was also made. However, ignoring the influence of Langmuir fluctuations on the halo population turns out to be an unjustifiable assumption. The present paper rectifies the previous approach by including both Langmuir and whistler fluctuations in the construction of the steady-state velocity distribution function for the halo population, and demonstrates that the role of whistler-range fluctuation is minimal unless the fluctuation intensity is arbitrarily raised. This implies that the Langmuir-range fluctuations, known as the quasi thermal noise, are important for both halo and super-halo electron velocity distribution.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Geometrical evidence for dark matter: X-ray constraints on the mass of the elliptical galaxy NGC 720

We describe (1) a new test for dark matter and alternate theories of gravitation based on the relative geometries of the X-ray and optical surface brightness distributions and an assumed form for the potential, of the optical light, (2) a technique to measure the shapes of the total gravitating matter and dark matter of an ellipsoidal system which is insensitive to the precise value of the temperature of the gas and to modest temperature gradients, and (3) a new method to determine the ratio of dark mass to stellar mass that is dependent on the functional forms for the visible star, gas and dark matter distributions, but independent of the distance to the galaxy or the gas temperature. We apply these techniques to X-ray data from the ROSAT Position Sensitive Proportional Counter (PSPC) of the optically flattened elliptical galaxy NGC 720; the optical isophotes have ellipticity epsilon approximately 0.40 extending out to approximately 120 sec. The X-ray isophotes are significantly elongated, epsilon = 0.20-0.30 for semimajor axis a approximately 100 sec. The major axes of the optical and X-ray isophotes are misaligned by approximately 30 deg +/- 15 deg. Spectral analysis of the X-ray data reveals no evidence of temperature gradients or anisotropies and demonstrates that a single-temperature plasma (T approximately 0.6 keV) having subsolar heavy element abundances and a two-temperature model having solar abundances describe the spectrum equally well. Considering only the relative geometries of the X-ray and optical surface brightness distributions and an assumed functional form for the potential of the optical light, we conclude that matter distributed like the optical light cannot produce the observed ellipticities of the X-ray isophotes, independent of the gas pressure, the gas temperature, and the value of the stellar mass; this comparison assumes a state of quasi-hydrostatic equilibrium so that the three-dimensional surfaces of the gas emissivity trace the three-dimensional isopotential surfaces -- we discuss the viability of this assumption for NGC 720. Milgrom's Modification of Newtonian Dynamics (MOND) cannot dispel this manifestation of dark matter. Hence, geometrical considerations require, without mention of pressure or temperature, the presence of an extended, massive dark matter halo in NGC 720. Employing essentially the technique of Buote & Canizares (1992; Buote 1992) we use the shape of the X-ray surface brightness to constrain the shape of the total gravitating matter. The total matter is modeled as either an oblate or prolate spheriod of constant shape and orientation having either a Ferrers (rho approximately r(exp -n)) or Hernquist density. Assuming the X-ray gas is in hydrostatic equilibrium, we construct a model X-ray gas distribution for various temperature profiles. We determine the ellipticity of the total gravitating matter to be epsilon approximately 0.50-0.70. Using the single-temperature model we estimate a total mass approximately (0.41-1.4) x 10(exp 12) h(sub 80) solar mass interior to the ellipsoid of semimajor axis 43.6 h(sub 80) kpc. Ferrers densities as steep as r(exp -3) do not fit the data, but the r(exp -2) and Hernquist models yield excellent fits. We estimate the mass distributions of the stars and the gas and fit the dark matter directly. For a given gas equation of state and functional forms for the visible stars, gas, and dark matter, these models yield a distance-independent and temperature-independent measurement of the ratio of dark mass to stellar mass M(sub DM)/M(sub stars). We estimate a minimum M(sub DM)/M(sub stars) greater than or equal to 4 which corresponds to a total mass slightly greater than that derived from the single-temperature models for distance D = 20h(sub 80) Mpc.

Buote, David A.↗
DOE OSTI2017

New Equations of State for Postmerger Supramassive Quark Stars

Binary neutron star (NS) mergers with their subsequent fast-rotating supramassive magnetars are one attractive interpretation for at least some short gamma-ray bursts (SGRBs), based on the internal plateau commonly observed in the early X-ray afterglow. The rapid decay phase in this scenario signifies the epoch when the star collapses to a black hole after it spins down, and could effectively shed light on the underlying unclear equation of state (EoS) of dense matter. In the present work, we compare the protomagnetar masses of the internal plateau sample from representative EoS models to that derived independently from the observed galactic NS–NS binary, aiming to contribute new compact star EoSs from SGRB observations. For this purpose, we employ various EoSs covering a wide range of maximum masses for both NSs and quark stars (QSs) and, at the same time, satisfying the recent observational constraints of the two massive pulsars for which the masses are precisely measured (around 2 M{sub ⊙}). We first illustrate that how well the underlying EoS would reconcile with the current posterior mass distribution is largely determined by the static maximum mass of that EoS. We then construct three new postmerger QS EoSs (PMQS1, PMQS2, PMQS3), fully respecting the observed distribution. We also provide easy-to-use parameterizations for both the EoSs and the corresponding maximum gravitational masses of rotating stars. In addition, we calculate the fractions of postmerger products for each EoS, and discuss potential consequences for the magnetar-powered kilonova model.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2008

Using an Informative Missing Data Model to Predict the Ability to Assess Recovery of Balance Control after Spaceflight

Astronauts show degraded balance control immediately after spaceflight. To assess this change, astronauts' ability to maintain a fixed stance under several challenging stimuli on a movable platform is quantified by "equilibrium" scores (EQs) on a scale of 0 to 100, where 100 represents perfect control (sway angle of 0) and 0 represents data loss where no sway angle is observed because the subject has to be restrained from falling. By comparing post- to pre-flight EQs for actual astronauts vs. controls, we built a classifier for deciding when an astronaut has recovered. Future diagnostic performance depends both on the sampling distribution of the classifier as well as the distribution of its input data. Taking this into consideration, we constructed a predictive ROC by simulation after modeling P(EQ = 0) in terms of a latent EQ-like beta-distributed random variable with random effects.

Feiveson, Alan H.↗
NASA NTRS1994

Preconditioned implicit solvers for the Navier-Stokes equations on distributed-memory machines

The GMRES method is parallelized, and combined with local preconditioning to construct an implicit parallel solver to obtain steady-state solutions for the Navier-Stokes equations of fluid flow on distributed-memory machines. The new implicit parallel solver is designed to preserve the convergence rate of the equivalent 'serial' solver. A static domain-decomposition is used to partition the computational domain amongst the available processing nodes of the parallel machine. The SPMD (Single-Program Multiple-Data) programming model is combined with message-passing tools to develop the parallel code on a 32-node Intel Hypercube and a 512-node Intel Delta machine. The implicit parallel solver is validated for internal and external flow problems, and is found to compare identically with flow solutions obtained on a Cray Y-MP/8. A peak computational speed of 2300 MFlops/sec has been achieved on 512 nodes of the Intel Delta machine,k for a problem size of 1024 K equations (256 K grid points).

Ajmani, Kumud↗
DOE OSTI2025

Surrogate Model for Distribution Networks Influenced by Weather

Here, we propose a method for generating reduced representations of time series and for constructing low dimensional surrogate models for time dependent calculations of power and voltage in distribution networks. We employ Fourier polynomials. The surrogate model strategy is aimed at reducing the computational cost of time dependent simulations, albeit, at the expense of fidelity. The reduced representation is achieved by identifying a small and most consequential subset of degrees of freedom. In power and voltage distribution networks dynamics that are heavily influenced by strong cyclic weather events, e.g., the hourly, diurnal and seasonal cycles, the weather/climate time series spectrum exposes these most energetic components. Once the degrees of freedom are identified their amplitudes are optimized using training data. The key challenge in using spectral methods in power network surrogates is addressing the computation of quotients. For this we propose a numerically-stable deconvolution strategy.

Weather events↗
NASA NTRS2007

NavP: Structured and Multithreaded Distributed Parallel Programming

We present Navigational Programming (NavP) -- a distributed parallel programming methodology based on the principles of migrating computations and multithreading. The four major steps of NavP are: (1) Distribute the data using the data communication pattern in a given algorithm; (2) Insert navigational commands for the computation to migrate and follow large-sized distributed data; (3) Cut the sequential migrating thread and construct a mobile pipeline; and (4) Loop back for refinement. NavP is significantly different from the current prevailing Message Passing (MP) approach. The advantages of NavP include: (1) NavP is structured distributed programming and it does not change the code structure of an original algorithm. This is in sharp contrast to MP as MP implementations in general do not resemble the original sequential code; (2) NavP implementations are always competitive with the best MPI implementations in terms of performance. Approaches such as DSM or HPF have failed to deliver satisfying performance as of today in contrast, even if they are relatively easy to use compared to MP; (3) NavP provides incremental parallelization, which is beyond the reach of MP; and (4) NavP is a unifying approach that allows us to exploit both fine- (multithreading on shared memory) and coarse- (pipelined tasks on distributed memory) grained parallelism. This is in contrast to the currently popular hybrid use of MP+OpenMP, which is known to be complex to use. We present experimental results that demonstrate the effectiveness of NavP.

navigational programming (NavP)↗
DOE OSTI2020

Stochastic Fault Detection

This entry describes the state-of-the-art and future perspectives on stochastic fault detection, namely, stochastic fault detection and diagnosis (FDD). Both model-based and data-driven FDD methods for stochastic signals and systems have been included, where the use of hypothesis testing, Kalman filtering, system estimation, principal component analysis (PCA), and stochastic distribution control has been discussed for the construction of effective FDD algorithms. Indeed, stochastic FDD constitute an important and integrated part in developing fault-tolerant controls (FTC) for guaranteed safe operation of control systems, of which increased penetration of random factors is inevitable nowadays.

Wang, Aiping↗
DOE OSTI2017

Ballistic-diffusive phonon heat transport across grain boundaries

The propagation of a heat pulse in a single crystal and across grain boundaries (GBs) is simulated here using a concurrent atomistic-continuum method furnished with a coherent phonon pulse model. With a heat pulse constructed based on a Bose-Einstein distribution of phonons, this work has reproduced the phenomenon of phonon focusing in single and polycrystalline materials. Simulation results provide visual evidence that the propagation of a heat pulse in crystalline solids with or without GBs is partially ballistic and partially diffusive, i.e., there is a co-existence of ballistic and diffusive thermal transport, with the long-wavelength phonons traveling ballistically while the short-wavelength phonons scatter with each other and travel diffusively. To gain a quantitative understanding of GB thermal resistance, the kinetic energy transmitted across GBs is monitored on the fly and the time-dependent energy transmission for each specimen is measured; the contributions of coherent and incoherent phonon transport to the energy transmission are estimated. Simulation results reveal that the presence of GBs modifies the nature of thermal transport, with the coherent long-wavelength phonons dominating the heat conduction in materials with GBs. In addition, it is found that phonon-GB interactions can result in reconstruction of GBs.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Coverage, repulsion, and reactivity of hydrogen on High-Entropy alloys

Modeling hydrogen evolution reaction (HER) activity probability on IrPdPtRhRu(1 1 1) high-entropy alloys. Determining hydrogen coverages based on ligand effects and generalized hydrogen–hydrogen repulsion. The rate of H 2 formation is highly impacted by the level of hydrogen coverage on the catalyst surface. In search of optimal catalytic properties high-entropy alloys (HEA) are promising candidates that utilize the compositional space of multiple elements. Based on simulations of HEA model (1 1 1) surfaces with a range of hydrogen coverages, distributions of binding energies are used to construct a framework that approximates the probability that adsorbed hydrogen may lead to the formation of H 2 as a function of applied potential. By optimizing the alloy compositions for the highest activity probability at given potentials the best and most efficient catalyst candidates for HER can be identified. Treating hydrogen–hydrogen repulsion effects and binding energy separately, we find that the repulsion is larger for HEAs than for pure metals. Differing isotherm slopes in the mean adsorption and desorption energies demonstrate a possible hysteresis for hydrogen adsorption on HEAs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Utilizing Single-Crystalline Transformations for Precise Atom Placement in Multicomponent Cluster-Based Coordination Networks

The assembly of cluster or superatom building-blocks into extended solids has revolutionized materials design, enabling the synthesis of modular semiconductors with well-defined structures and tunable electronic, magnetic or optical properties. This strategy has recently advanced the synthesis of complex metal oxides with multifunctional or emergent behaviors, but precise atom placement of multiple elements with similar chemistries or preferred coordination environments remains a significant challenge. Here, in this study, we present a strategy for synthesizing polyoxometalate (POM)-based coordination networks with up to three different cations in precisely defined positions. Our approach leverages a single-crystal-to-single-crystal (SCSC) transformation in which the spatial placement of cations is governed by their availability at distinct stages of crystallization and transformation. Specifically, [ZP 5 W 30 O 110 ] (15-n)- (Z = Na + , K + , Ca 2+ , Ag + , Bi 3+ , Y 3+ , any Ln 3+ , Th 4+ ) is coordinatively assembled with various bridging metal cations (Y 3+ , any Ln 3+ , Th 4+ ). By using the encapsulated cation (Z) to "label" the POM, we track the phase-transformation and confirm the retention of single crystallinity. The integrated use of POM labeling and SCSC transformation enables rational control over cation distribution and establishes a versatile strategy for constructing multicomponent materials with high compositional and spatial precision.

Chen, Linfeng [Univ. of California, San Diego, CA ↗
DOE OSTI2019

Exploring experimental conditions to reduce uncertainties in the optical potential

Uncertainty quantification for nuclear theories has gained a more prominent role in the field, with more groups attempting to understand the uncertainties in their calculations. However, recent studies have shown that the uncertainties on the optical potentials are too large for the theory to be useful. The goal of this work is to explore possible experimental conditions that may reduce the uncertainties on elastic scattering and single-nucleon transfer cross sections that come from the fitting of the optical model parameters to experimental data. Using Bayesian methods, we explore the effect of the uncertainties of optical model parameters on the angular grid of the differential cross section, including cross-section data at nearby energies, and changes in the experimental error bars. We also study the effect on the resulting uncertainty when other observables are included in the fitting procedure, particularly the total (reaction) cross sections. We study proton and neutron elastic scattering on 48 Ca and 208 Pb. We explore the parameter space with the Markov-chain Monte Carlo method, produce posterior distributions for the optical model parameters, and construct the corresponding 95% confidence intervals on the elastic-scattering cross sections. We also propagate the uncertainties on the optical potentials to the 48 Ca(d,p) 49 Ca(g.s.) and 208 Pb(d,p) 209 Pb(g.s.) cross sections. We find little sensitivity to the angular grid and an improvement of up to a factor of 2 on the uncertainties by including data at a nearby energy. Although reducing the error bars on the data does reduce the uncertainty, the gain is often considerably smaller than one would naively expect. We also find that the inclusion of total reaction cross section can improve the uncertainty although the magnitude of the effect depends strongly on the cases considered.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2021

Lattice Boltzmann model for conjugate heat transfer across thin walls

A lattice Boltzmann (LB) model with an efficient and accurate interface treatment for conjugate heat transfer across a thin wall between two different media is developed. The proposed interface treatment avoids fine meshing and computation within the thin layer; instead, the energy balance within the thin layer and the conjugate conditions on each interface are utilized to construct explicit updating schemes for the microscopic distribution functions of the LB model at the interior lattice nodes of the two media next to the thin layer. The proposed interface schemes reduce to the standard interface scheme for conjugate conditions in the literature in the limit of zero thickness of the thin layer, and thus it can be considered a more general interface treatment. A simplified version of the interface treatment is also proposed when the heat flux variation along the tangential direction of the thin layer is negligible. Three representative numerical tests are conducted to verify the applicability and accuracy of the proposed interface schemes. The results demonstrate that the intrinsic second-order accuracy of the LB model is preserved with the proposed interface schemes for thin layers with constant tangential fluxes, while for general situations with varying tangential fluxes, first-order accuracy is obtained. Finally, this interface treatment within the LB framework is attractive in conjugate heat transfer modeling involving thin layers for its simplicity, accuracy, and significant reduction in computational resources.

42 ENGINEERING↗
DOE OSTI2021

Devastator Parallel Discrete Event Simulation Runtime (Devastator) v1.0

The Devastator runtime is a modern C++ implementation of optimistic parallel discrete event simulation methods. Devastator allows simulation application code to productively specify their component and event functionality with C++14 constructs. It utilizes GASNet-EX for distributed memory communication and includes parallel performance optimizations such as light-weight thread message queues and asynchronous GVT. Furthermore, it supports efficient event broadcasts and pause-rewind-resume functionality to support periodic load balancing and outer loop optimization algorithms.

Chan, Cy↗
DOE OSTI2022

Why the Forcing from Carbon Dioxide Scales as the Logarithm of Its Concentration

Abstract The radiative forcing from carbon dioxide is approximately logarithmic in its concentration, producing about 4 W m −2 of global-mean forcing for each doubling. Although these are basic facts of climate science, competing explanations for them have been given in the literature. Here, the reasons for the logarithmic forcing of carbon dioxide are explored in detail and a simplified model for the forcing is constructed. An essential component is the particular distribution of absorption coefficients within the 15- μ m band of carbon dioxide. An alternative explanation, which does not depend on the spectrum of carbon dioxide but instead hinges on the tropospheric lapse rate, is shown to be neither necessary nor sufficient to explain the logarithmic forcing of carbon dioxide and to be generally inapplicable to well-mixed greenhouse gases in Earth’s atmosphere.

54 ENVIRONMENTAL SCIENCES↗