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At least 1,243 records · Page 69

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DOE OSTI2021

Unraveling the implications of finite specimen size on the interpretation of dynamic experiments for polycrystalline aluminum through direct numerical simulations

Normal and Pressure-shear plate impact (NPI and PSPI) experiments are popular experimental techniques for studying the mean-field macroscopic behavior of polycrystalline metals under high-rate dynamic loading. However, since both configurations rely upon geometry for subjecting the specimen to high strain rates, these experiments often involve a limited specimen size. Moreover, because of the inherent heterogeneities present within polycrystalline metals, it is difficult to ascertain if the size of the specimen and/or regions where measurements are made are sufficiently large for making representative inferences about the mean-field macroscopic properties from single-point velocity measurements. In the present study, we quantify the expected measurement variability on observable point measurements in NPI and PSPI experiments by carrying out direct numerical simulations (DNS) of statistically representative polycrystalline microstructures subjected to dynamic compression and compression-shear loading. In particular, we consider the role of specific material heterogeneities (e.g. the grain-to-grain difference in size, crystallographic orientation) on dispersion in the normal and transverse particle velocity records and on local fluctuations in key state variables (e.g. velocity, accumulated plastic strain) by incorporating these effects directly into a representative synthetic microstructure geometry and crystalline description of pure polycrystalline aluminum. The form of the present study is a large parametric investigation, consisting of ten ensembles of one hundred simulations. Each of the thousand simulations reflects a randomly realized synthetic microstructure in one of five cases of decreasing average grain size for the two loading configurations. Our analysis of the DNS results demonstrates that for both of these experimental configurations, the grain size directly correlates with the coefficient of variation (CV) in simulated point measurements, showing a convergent decrease in CV to zero (i.e. particle velocity record approaches the mean-field value) with decreasing grain size. Remarkably, the magnitude of variations in the particle velocity record is shown to be largest where the deviatoric stresses are most significant. In the case of NPI, this occurs at the elastic and plastic wavefront, whereas, in the case of PSPI, the magnitude of fluctuations are approximately constant throughout the experimental window time. The reasoning for the scatter in particle velocity due to the heterogeneous microstructure is demonstrated to be dependent on the mechanisms for accommodating deformation and on the interaction of reflection waves generated at sites of heterogeneities occurring at the scale of grains. Lastly, we develop a power-law description for the magnitude of scattering versus characteristic length, which provides a statistical framework for assessing the required number of grains per characteristic specimen dimension for minimizing scatter within these two experimental configurations (NPI, PSPI).

36 MATERIALS SCIENCE↗

DOE OSTI2021

Ion Pairing, Clustering and Transport in a LiFSI-TMP Electrolyte as Functions of Salt Concentration using Molecular Dynamics Simulations

Battery capacity is highly related to ion-pairing mechanisms in electrolytes, since a cluster formation can lead to dead Li formation, reducing the number of charge carriers and leading to capacity fading. We use molecular dynamics simulations to model an electrolyte comprising trimethyl phosphate (TMP) solvent and a lithium bis(fluorosulfonyl)imide (LiFSI) salt, exploring effects of salt concentration on solvation and ion-transport. We simulate the LiFSI-TMP electrolyte for salt concentrations of 0.7, 1.43 and 3.82 molar. A statistical analysis was performed to study ion-pairing, clustering, diffusivity, conductivity, and coordination of Li-ions, providing insights into relations between molecular structures and transport properties. Molecular structure of ionic components changes as concentration increases, from a predominant solvent separated ion pair (SSIP) and contact ion pair (CIP) to aggregate salt (AGG) and ionic cluster formation. Given the formation of the ionic cluster, the diffusion mechanism followed by Li-ions changes from a hopping/exchange to a vehicular mechanism as concentration increases; this is reflected in a decrease of ionic conductivities. Ionicity was also calculated to reveal how the ionic motion changes from an uncorrelated to a correlated one as the salt concentration increases. Furthermore, we also compared our results with experimental calculations performed for similar electrolyte systems

25 ENERGY STORAGE↗

NASA NTRS1988

Magnetic reversal spurts: Rain gauges for comet showers

Abrupt increases in the rate of magnetic reversals (magnetic reversal spurts) were first studied by many others. They hypothesized that spurts result from increased turbulence in the earth's core dynamo during episodes of intense bolide bombardment of the earth. Mechanisms for creating episodes of intense bombardment of the earth involve gravitational perturbation of the Oort cloud of comets, either by a hidden planet, a solar companion, or massive matter in the galactic plane. Herein, the time variation in reversal rate is analyzed using methods of statistical density estimation. A smooth, continuous estimate of reversal rate is obtained using an adaptive kernel method, in which the kernel width is adjusted as a function of reversal rate. The estimates near the ends of the data series (at 165 my ago and the present) are obtained by extending the data by reflection. The results show that the reversal spurts are not associated demonstrably with extinctions or well-dated impacts. If the spurts do record episodes of intense bombardment of the earth, then the mass extinctions do not, in general, occur at times of impacts. Furthermore, the large impact craters seen are not obviously related to the spurts, suggesting that the craters may have been caused by bolides of a different nature and with a different temporal pattern. However, the most simple explanation seems to be that the spurts do not record comet showers, either because the recording mechanism suggested by Muller and Morris is not effective or because comet showers are not triggered in the ways considered by Hut et al.

Lutz, T. M.↗

DOE OSTI2022

Estimation of pollen productivity and dispersal: How pollen assemblages in small lakes represent vegetation

Abstract Quantitative understanding of vegetation dynamics over timespans beyond a century remains limited. In this regard, the pollen‐based reconstruction of past vegetation enables unique research opportunities by quantifying changes in plant community compositions during hundreds to thousands of years. Critically, the methodological basis for most reconstruction approaches rests upon estimates of pollen productivity and dispersal. Previous studies, however, have reached contrasting conclusions concerning these estimates, which may be perceived to challenge the applicability and reliability of pollen‐based reconstruction. Here we show that conflicting estimates of pollen production and dispersal are, at least in part, artifacts of fixed assumptions of pollen dispersal and insufficient spatial resolution of vegetation data surrounding the pollen‐collecting lake. We implemented a Bayesian statistical model that related pollen assemblages in surface sediments of 33 small lakes (<2 ha) in the northeastern United States, with surrounding vegetation ranging from 10 1 to >10 5 m from the lake margin. Our analysis revealed three key insights. First, pollen productivity is largely conserved within taxa and across forest types. Second, when local (within a 1‐km radius) vegetation abundances are not considered, pollen‐source areas may be overestimated for some common taxa (Cupressaceae, Pinus , Quercus , and Tsuga ). Third, pollen dispersal mechanisms may differ between local and regional scales; this is missed by pollen‐dispersal models used in previous studies. These findings highlight the complex interactions between vegetation heterogeneity on the landscape and pollen dispersal. We suggest that, when estimating pollen productivity and dispersal, both detailed local and extended regional vegetation must be taken into account. Also, both deductive (mechanistic models) and inductive (statistical models) approaches are needed to better understand the emergent properties of pollen dispersal in heterogeneous landscapes.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2018

Power-Law Statistics of Driven Reconnection in the Magnetically Closed Corona

Numerous observations have revealed that power-law distributions are ubiquitous in energetic solar processes. Hard X-rays, soft X-rays, extreme ultraviolet radiation, and radio waves all display power-law frequency distributions. Since magnetic reconnection is the driving mechanism for many energetic solar phenomena, it is likely that reconnection events themselves display such power-law distributions. In this work, we perform numerical simulations of the solar corona driven by simple convective motions at the photospheric level. Using temperature changes, current distributions, and Poynting fluxes as proxies for heating, we demonstrate that energetic events occurring in our simulation display power-law frequency distributions, with slopes in good agreement with observations. We suggest that the braiding-associated reconnection in the corona can be understood in terms of a self-organized criticality model driven by convective rotational motions similar to those observed at the photosphere.

Knizhnik, K. J.↗

DOE OSTI2024

Structure and Reactivity of Binuclear Cu Active Sites in Cu-CHA Zeolites for Stoichiometric Partial Methane Oxidation to Methanol

Aluminosilicate zeolites exchanged with copper ions facilitate partial methane oxidation (PMO) to methanol in stoichiometric oxidation and reduction cycles, yet the identities of active Cu sites and details of the reaction mechanism remain debated. Here, we use the high-symmetry chabazite (CHA) zeolite framework as a model support to probe the relationship between bulk composition, Cu speciation, and response to various oxidizing and reducing treatments. Density functional theory and first-principles thermodynamics combined with statistical models reveal that Cu speciation and composition depend strongly on Al configuration and external gas conditions. Cu-CHA samples were synthesized to survey broad regions of Si/Al and Cu/Al composition space and framework Al proximity. Characterization by in situ X-ray absorption and UV–visible spectroscopy during exposure to different oxidation conditions reveal that the extent of Cu oxidation is sensitive to activation conditions and thus that both kinetic and thermodynamic factors influence Cu oxidizability in a given material. Similar characterizations during CO reduction reveal that CO titrates Cu 2+ in amounts suggesting the presence of both O- and O 2 -bridged species. In contrast, CH 4 and autoreduction (He) treatments reduce similar but smaller numbers of Cu sites than CO, implicating O 2 -bridged Cu dimers as a potential common intermediate in the former reduction pathways. Furthermore, a systematic increase in methanol yields (per Cu) in stoichiometric PMO cycles increase with the fraction of binuclear O x -bridged Cu sites suggests these species as active sites, as depicted in an updated PMO reaction mechanism.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

A probabilistic creep model incorporating test condition, initial damage, and material property uncertainty

Uncertainty is prevalent in the creep resistance of alloys, where at elevated temperature and low pressure, rupture can range across logarithmic decades. In this study, a probabilistic continuum-damage-mechanics (CDM)-based model is derived to capture the uncertainty of creep resistance. To meet this objective, creep data for alloy 304 Stainless Steel is gathered. A constitutive model, “Sinh”, is calibrated deterministically to determine the statistical variability of the material properties. Three sources of uncertainty are injected into the model: test condition (stress and temperature), initial damage, and material properties. Probabilistic simulations are carried out by (a) calibrating probability distribution functions (pdfs) for each source of uncertainty (b) randomly sampling the pdfs using Monte Carlo methods and (c) executing simulations to replicate the uncertain creep behavior. A sensitivity analysis is performed to evaluate the relative effect of each source of uncertainty. In full probabilistic simulations, the cumulative uncertainty of creep behavior is evaluated. The probabilistic model accurately predicts the creep deformation and rupture of the available experiments. The probabilistic model is validated for interpolation but lacks extrapolation ability. Several future works are proposed to further improve the model.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Constraining the Synthesis of the Lightest 𝑝 Nucleus 74 Se

We provide the first experimental cross section of the 73 As(p, γ) 74 Se reaction to constrain one of the main destruction mechanisms of the p nucleus 74 Se in explosive stellar environments. The measurement was done using a radioactive 73 As beam at incident energies of 3.1 and 3.7 MeV/nucleon. Along with the total cross section measurement, statistical properties of the 74 Se compound nucleus were extracted, constraining the reaction cross section across the entire Gamow window of the γ process. The impact of the experimentally constrained reaction rate on 74 Se production in Type II supernovae is investigated through Monte Carlo one-zone network simulations. The results indicate that the overproduction of 74 Se by Type II supernova models cannot be resolved by nuclear physics and point towards the description of the astrophysical conditions of the γ process.

59 ≤ A ≤ 89↗

DOE OSTI2022

Detection of Cyber Attacks in Grid-tied PV Systems Using Dynamic Watermarking

This paper presents of an active detection scheme for detecting cyber attacks on sensors controlling a grid-tied PV systems. Several cyber vulnerabilities in Grid tied PV Systems are discussed. The defense mechanism introduces a private (secret) watermarking signal into the control inputs of the grid-tied inverter system. This will enable the detection of any malicious manipulation of sensor measurements. Based on the measured data, two statistical tests are conducted to identify anomalies in the system using the presence of the watermarking signal. It shown that when a sensor data is compromised and/or replaced by a pre-recorded healthy signal, both test 1 and 2 exhibit high values indicating a possible malicious activity. The robustness of the proposed algorithm is tested and validated with several attack scenarios on a grid tied PV system. Select results from an experimental setup are discussed.

Ibrahim, Hasan↗

DOE OSTI2021

Considering uncertainties expands the lower tail of maize yield projections

Crop yields are sensitive to extreme weather events. Improving the understanding of the mechanisms and the drivers of the projection uncertainties can help to improve decisions. Previous studies have provided important insights, but often sample only a small subset of potentially important uncertainties. Here we expand on a previous statistical modeling approach by refining the analyses of two uncertainty sources. Specifically, we assess the effects of uncertainties surrounding crop-yield model parameters and climate forcings on projected crop yield. We focus on maize yield projections in the eastern U.S.in this century. We quantify how considering more uncertainties expands the lower tail of yield projections. We characterized the relative importance of each uncertainty source and show that the uncertainty surrounding yield model parameters is the main driver of yield projection uncertainty.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Direct Numerical Simulation of Flow Over a Wall-Mounted Cube with the Nek5000 Spectral Element Code: DNS at Re h = 3900

The direct numerical simulation (DNS) of the canonical wall-mounted unit cube subjected to two distinct incident velocity profiles is performed at a Reynolds number where the bulk flow characteristics are known to become relatively Reynolds number insensitive. The aim of this work is to highlight the sensitivity of such bluff-body flows to mean shear and to provide a representative set of data for such flow scenarios where common turbulence modeling techniques often fail. Simple boundary conditions and a small domain are selected to allow for cost-effective and easy comparisons for model development purposes. In addition to mean velocity profiles, select turbulence statistics are presented in detail. Further, the basic efficacy of eddy viscosity models is evaluated and found to be adequate only for the shear stress components for the bluff-body flows examined here. Other failure mechanisms for RANS are proposed.

42 ENGINEERING↗

DOE OSTI2023

New 26 P( p, γ ) 27 S Thermonuclear Reaction Rate and Its Astrophysical Implications in the rp -process

Accurate nuclear reaction rates for 26 P(p, γ) 27 S are pivotal for a comprehensive understanding of the rp-process nucleosynthesis path in the region of proton-rich sulfur and phosphorus isotopes. However, large uncertainties still exist in the current rate of 26 P(p, γ) 27 S because of the lack of nuclear mass and energy level structure information for 27 S. We reevaluate this reaction rate using the experimentally constrained 27 S mass, together with the shell model predicted level structure. It is found that the 26 P(p, γ) 27 S reaction rate is dominated by a direct capture reaction mechanism despite the presence of three resonances at E = 1.104, 1.597, and 1.777 MeV above the proton threshold in 27 S. The new rate is overall smaller than the other previous rates from the Hauser–Feshbach statistical model by at least 1 order of magnitude in the temperature range of X-ray burst interest. In addition, we consistently update the photodisintegration rate using the new 27 S mass. The influence of new rates of forward and reverse reaction in the abundances of isotopes produced in the rp-process is explored by postprocessing nucleosynthesis calculations. The final abundance ratio of 27 S/ 26 P obtained using the new rates is only 10% of that from the old rate. The abundance flow calculations show that the reaction path 26 P(p, γ) 27 S(β + ,ν) 27 P is not as important as previously thought for producing 27 P. The adoption of the new reaction rates for 26 P(p, γ) 27 S only reduces the final production of aluminum by 7.1% and has no discernible impact on the yield of other elements.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1980

Ion chemistry in interstellar space

The temperature dependence of the bimolecular reactions of Cl(+), HCl(+), CH(+), CH2(+), N(+), NH(+), and NH2(+) reacting with H2 have been investigated. For Cl(+) and HCl(+) rate constants have been determined over the temperature range of 150 to 400 K. Preliminary data have been obtained for the other systems. The Cl(+)/H2 system shows a weak, but significant positive temperature dependence that could be important in interstellar modeling studies. The HCl(+)/H2 system shows a substantial negative temperature dependence with the rate constant approaching the collision rate at low temperatures. The association reaction CH3(+) + HCN yields CH3 HCN(+) has been theoretically modeled using statistical phase space theory. Both radiative and collisional stabilization have been included. The results are compared with experiment with good agreement obtained over wide variations in T and p. This system is potentially important in the mechanism of large molecule synthesis in interstellar space.

Bowers, M. T.↗

NASA NTRS1983

Information theory analysis of sensor-array imaging systems for computer vision

Information theory is used to assess the performance of sensor-array imaging systems, with emphasis on the performance obtained with image-plane signal processing. By electronically controlling the spatial response of the imaging system, as suggested by the mechanism of human vision, it is possible to trade-off edge enhancement for sensitivity, increase dynamic range, and reduce data transmission. Computational results show that: signal information density varies little with large variations in the statistical properties of random radiance fields; most information (generally about 85 to 95 percent) is contained in the signal intensity transitions rather than levels; and performance is optimized when the OTF of the imaging system is nearly limited to the sampling passband to minimize aliasing at the cost of blurring, and the SNR is very high to permit the retrieval of small spatial detail from the extensively blurred signal. Shading the lens aperture transmittance to increase depth of field and using a regular hexagonal sensor-array instead of square lattice to decrease sensitivity to edge orientation also improves the signal information density up to about 30 percent at high SNRs.

Huck, F. O.↗

NASA NTRS1986

Continuum radiation from active galactic nuclei: A statistical study

The physics of the continuum spectrum of active galactic nuclei (AGNs) was examined using a large data set and rigorous statistical methods. A data base was constructed for 469 objects which include radio selected quasars, optically selected quasars, X-ray selected AGNs, BL Lac objects, and optically unidentified compact radio sources. Each object has measurements of its radio, optical, X-ray core continuum luminosity, though many of them are upper limits. Since many radio sources have extended components, the core component were carefully selected out from the total radio luminosity. With survival analysis statistical methods, which can treat upper limits correctly, these data can yield better statistical results than those previously obtained. A variety of statistical tests are performed, such as the comparison of the luminosity functions in different subsamples, and linear regressions of luminosities in different bands. Interpretation of the results leads to the following tentative conclusions: the main emission mechanism of optically selected quasars and X-ray selected AGNs is thermal, while that of BL Lac objects is synchrotron; radio selected quasars may have two different emission mechanisms in the X-ray band; BL Lac objects appear to be special cases of the radio selected quasars; some compact radio sources show the possibility of synchrotron self-Compton (SSC) in the optical band; and the spectral index between the optical and the X-ray bands depends on the optical luminosity.

Isobe, T.↗

NASA NTRS1995

Investigation of intrinsic variability in one-dimensional parallel shocks using steady state hybrid simulations

We have developed a means of producing a steady state hybrid simulation of a collisionless shock. The shock is stopped in the simulation box by transforming into the shock frame and by modifying the downstream boundary conditions to allow the plasma to flow through the simulation box. Once the shock is stationary in the box frame, the simulation can be run for an arbitrary time with a fixed box size and a fixed number of simulation particles. Using this technique, we have shown that certain gross properties associated with the shock, such as the particle distribution function (including energetic particles produced by Fermi acceleration) and the flow speed profile, are constant (except for statistical variations) over hundreds of gyroperiods when averaged over times short compared to the average residence time of energetic particles. Our results imply that any microphysical processes responsible for particle heating and/or injection into the Fermi mechanism can be viewed as smooth and continuous on timescales longer than a few gyroperiods.

Bennett, Lee↗

NASA NTRS2002

Containerless Ripple Turbulence

One of the longest standing unsolved problems in physics relates to the behavior of fluids that are driven far from equilibrium such as occurs when they become turbulent due to fast flow through a grid or tidal motions. In turbulent flows the distribution of vortex energy as a function of the inverse length scale [or wavenumber 'k'] of motion is proportional to 1/k(sup 5/3) which is the celebrated law of Kolmogorov. Although this law gives a good description of the average motion, fluctuations around the average are huge. This stands in contrast with thermally activated motion where large fluctuations around thermal equilibrium are highly unfavorable. The problem of turbulence is the problem of understanding why large fluctuations are so prevalent which is also called the problem of 'intermittency'. Turbulence is a remarkable problem in that its solution sits simultaneously at the forefront of physics, mathematics, engineering and computer science. A recent conference [March 2002] on 'Statistical Hydrodynamics' organized by the Los Alamos Laboratory Center for Nonlinear Studies brought together researchers in all of these fields. Although turbulence is generally thought to be described by the Navier-Stokes Equations of fluid mechanics the solution as well as its existence has eluded researchers for over 100 years. In fact proof of the existence of such a solution qualifies for a 1 M$ millennium prize. As part of our NASA funded research we have proposed building a bridge between vortex turbulence and wave turbulence. The latter occurs when high amplitude waves of various wavelengths are allowed to mutually interact in a fluid. In particular we have proposed measuring the interaction of ripples [capillary waves] that run around on the surface of a fluid sphere suspended in a microgravity environment. The problem of ripple turbulence poses similar mathematical challenges to the problem of vortex turbulence. The waves can have a high amplitude and a strong nonlinear interaction. Furthermore, the steady state distribution of energy again follows a Kolmogorov scaling law; in this case the ripple energy is distributed according to 1/k (sup 7/4). Again, in parallel with vortex turbulence ripple turbulence exhibits intermittency. The problem of ripple turbulence presents an experimental opportunity to generate data in a controlled, benchmarked system. In particular the surface of a sphere is an ideal environment to study ripple turbulence. Waves run around the sphere and interact with each other, and the effect of walls is eliminated. In microgravity this state can be realized for over 2 decades of frequency. Wave turbulence is a physically relevant problem in its own right. It has been studied on the surface of liquid hydrogen and its application to Alfven waves in space is a source of debate. Of course, application of wave turbulence perspectives to ocean waves has been a major success. The experiment which we plan to run in microgravity is conceptually straightforward. Ripples are excited on the surface of a spherical drop of fluid and then their amplitude is recorded with appropriate photography. A key challenge is posed by the need to stably position a 10cm diameter sphere of water in microgravity. Two methods are being developed. Orbitec is using controlled puffs of air from at least 6 independent directions to provided the positioning force. This approach has actually succeeded to position and stabilize a 4cm sphere during a KC 135 segment. Guigne International is using the radiation pressure of high frequency sound. These transducers have been organized into a device in the shape of a dodecahedron. This apparatus 'SPACE DRUMS' has already been approved for use for combustion synthesis experiments on the International Space Station. A key opportunity presented by the ripple turbulence data is its use in driving the development of codes to simulate its properties.

Putterman, Seth↗

NASA NTRS2012

Climate Impacts of Ice Nucleation

Several different ice nucleation parameterizations in two different General Circulation Models (GCMs) are used to understand the effects of ice nucleation on the mean climate state, and the Aerosol Indirect Effects (AIE) of cirrus clouds on climate. Simulations have a range of ice microphysical states that are consistent with the spread of observations, but many simulations have higher present-day ice crystal number concentrations than in-situ observations. These different states result from different parameterizations of ice cloud nucleation processes, and feature different balances of homogeneous and heterogeneous nucleation. Black carbon aerosols have a small (0.06 Wm(exp-2) and not statistically significant AIE when included as ice nuclei, for nucleation efficiencies within the range of laboratory measurements. Indirect effects of anthropogenic aerosols on cirrus clouds occur as a consequence of increasing anthropogenic sulfur emissions with different mechanisms important in different models. In one model this is due to increases in homogeneous nucleation fraction, and in the other due to increases in heterogeneous nucleation with coated dust. The magnitude of the effect is the same however. The resulting ice AIE does not seem strongly dependent on the balance between homogeneous and heterogeneous ice nucleation. Regional effects can reach several Wm2. Indirect effects are slightly larger for those states with less homogeneous nucleation and lower ice number concentration in the base state. The total ice AIE is estimated at 0.27 +/- 0.10 Wm(exp-2) (1 sigma uncertainty). This represents a 20% offset of the simulated total shortwave AIE for ice and liquid clouds of 1.6 Wm(sup-2).

Gettelman, Andrew↗