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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 145 records · Page 8
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Large-scale vertical velocity, diabatic heating and drying profiles associated with seasonal and diurnal variations of convective systems observed in the GoAmazon2014/5 experiment

This study describes the characteristics of large-scale vertical velocity, apparent heating source ( Q 1 ) and apparent moisture sink ( Q 2 ) profiles associated with seasonal and diurnal variations of convective systems observed during the two intensive operational periods (IOPs) that were conducted from 15 February to 26 March 2014 (wet season) and from 1 September to 10 October 2014 (dry season) near Manaus, Brazil, during the Green Ocean Amazon (GoAmazon2014/5) experiment. The derived large-scale fields have large diurnal variations according to convective activity in the GoAmazon region and the morning profiles show distinct differences between the dry and wet seasons. In the wet season, propagating convective systems originating far from the GoAmazon region are often seen in the early morning, while in the dry season they are rarely observed. Afternoon convective systems due to solar heating are frequently seen in both seasons. Accordingly, in the morning, there is strong upward motion and associated heating and drying throughout the entire troposphere in the wet season, which is limited to lower levels in the dry season. In the afternoon, both seasons exhibit weak heating and strong moistening in the boundary layer related to the vertical convergence of eddy fluxes. A set of case studies of three typical types of convective systems occurring in Amazonia – i.e., locally occurring systems, coastal-occurring systems and basin-occurring systems – is also conducted to investigate the variability of the large-scale environment with different types of convective systems.

54 ENVIRONMENTAL SCIENCES↗
NASA NTRS1976

Correlation of full-scale helicopter rotor performance in air with model-scale Freon data

An investigation was conducted in a transonic dynamics tunnel to measure the performance of a 1/5 scale model helicopter rotor in a Freon atmosphere. Comparisons were made between these data and full scale data obtained in air. Both the model and full scale tests were conducted at advance ratios between 0.30 and 0.40 and advancing tip Mach numbers between 0.79 and 0.95. Results show that correlation of model scale rotor performance data obtained in Freon with full scale rotor performance data in air is good with regard to data trends. Mach number effects were found to be essentially the same for the model rotor performance data obtained in Freon and the full scale rotor performance data obtained in air. It was determined that Reynolds number effects may be of the same magnitude or smaller than rotor solidity effects or blade elastic modeling in rotor aerodynamic performance testing.

Yeager, W. T., Jr.↗
NASA NTRS1980

Aerodynamic characteristics of three helicopter rotor airfoil sections at Reynolds number from model scale to full scale at Mach numbers from 0.35 to 0.90

An investigation was conducted in the Langely 6 by 28 inch transonic tunnel to determine the two dimensional aerodynamic characteristics of three helicopter rotor airfoils at Reynolds numbers from typical model scale to full scale at Mach numbers from about 0.35 to 0.90. The model scale Reynolds numbers ranged from about 700,00 to 1,500,000 and the full scale Reynolds numbers ranged from about 3,000,000 to 6,600,000. The airfoils tested were the NACA 0012 (0 deg Tab), the SC 1095 R8, and the SC 1095. Both the SC 1095 and the SC 1095 R8 airfoils had trailing edge tabs. The results of this investigation indicate that Reynolds number effects can be significant on the maximum normal force coefficient and all drag related parameters; namely, drag at zero normal force, maximum normal force drag ratio, and drag divergence Mach number. The increments in these parameters at a given Mach number owing to the model scale to full scale Reynolds number change are different for each of the airfoils.

Noonan, K. W.↗
NASA NTRS1994

Comparison of full-scale, small-scale, and CFD results for F/A-18 forebody slot blowing

It has been shown experimentally that forebody flow control devices provide a significant increase in yaw control for fighter aircraft at high angle-of-attack. This study presents comparisons of the various experimental and computational results for tangential slot blowing on the F/A-18 configuration. Experimental results are from the full-scale and 6 percent-scale model test and computational solutions are from both isolated forebody and and full aircraft configurations. The emphasis is on identifying trends in the variation of yawing moment with blowing-slot exit conditions. None of the traditional parameters (mass flow ratio, blowing momentum coefficient, velocity ratio) succeeded in collapsing all of the results into a common curve. Several factors may effect the agreement between the 6 percent- and full-scale results including Reynolds number effects, sensitivity of boundary layer transition from laminar to turbulent flow, and poor geometric fidelity, particularly of the blowing slot. The disagreement between the full-scale and computed yawing moments may be due to a mismatch in the slot exit conditions for the same mass flow ratio or aircraft configuration modeling. The general behavior of slot blowing on the 6 percent-scale and computational models is correct, but neither matches the full-scale results.

Lanser, Wendy R.↗
NASA NTRS2012

Alignment and Scaling of Large-Scale Fluctuations in Solar Wind Turbulence

We investigate the dependence of solar wind fluctuations measured by the Wind spacecraft on scale and on the degree of alignment between oppositely directed Elsasser fields. This alignment controls the strength of the non-linear interactions and, therefore, the turbulence. We find that at scales larger than the outer scale of the turbulence the Elsasser fluctuations become on average more anti-aligned as the outer scale is approached from above. Conditioning their structure functions using the alignment angle reveals turbulent scaling of unaligned fluctuations at scales previously believed to lie outside the turbulent cascade in the '1/f range'. We argue that the 1/f range contains a mixture of non-interacting anti-aligned population of Alfven waves and magnetic force-free structures plus a subdominant population of unaligned cascading turbulent fluctuations.

Wicks, R. T.↗
DOE OSTI2020

Urban-scale Energy Modeling: Scaling Beyond Tax Assessor Data

In an attempt to attain building-specific characteristics for urban-scale building energy models, county-specific tax assessors’ data is often an initial data source. This data source can contain valuable information such as year built, area, height, HVAC type, and roof/wall descriptions.We will show examples of 2,000 fields from Hamilton County in Tennessee with examples of many fields which are not relevant to urban-scale building energy modeling, are incorrect compared to other data sources, and highlight some lessons learned working with such a data source.There are currently 3,142 counties in the United States, each with their own data format, field definitions, and data access policy. As urban-scale involves city-scale analysis potentially covering multiple counties and matures toward state- or nation-scale analysis, county-by-county approaches are not scalable. While there are efforts to unify these datasets, there is an increasing proliferation of data and algorithms that can cover wider areas and provide more accurate inputs for urban-scale models. This paper summarizes computer vision of imagery, cartographic layers, building type assessment, and model generation used to achieve scalable detection and analysis of buildings.

New, Joshua↗
DOE OSTI2024

Length scale effects of micro- and meso-scale tensile tests of unirradiated and irradiated Zircaloy-4 cladding

Zircaloy-4 is an essential material for cladding structures within fission-based reactors. To explore the changes in properties measured on differing length scales, FIB-machined micro-scale tensile tests were performed on both irradiated and control groups of Zircaloy-4. This was correlated with tensile testing on femtosecond laser-machined meso-scale specimens. Pronounced size effects were found when varying specimen geometry. Increases in tensile geometry size were associated with a reduction in measured yield stress for both irradiated and unirradiated samples. Here, meso-scale testing found strength and strain values similar to that of bulk-scale testing.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Harmonizing solar induced fluorescence across spatial scales, instruments, and extraction methods using proximal and airborne remote sensing: A multi-scale study in a soybean field

Solar-induced chlorophyll fluorescence (SIF) has been widely used to track vegetation photosynthesis at different scales ranging from in-situ measurements to satellite products. Airborne platforms sample SIF data at a spatial scale intermediate between in-situ and satellite, matching that of ground measurement (e.g. flux tower footprints and other field sampling), enabling us to explore causes of SIF variation and validate satellite-based SIF products. However, harmonizing SIF across sensors and platforms (correcting for systematic errors to yield a consistent, comparable SIF product) is challenging because SIF can be retrieved in different absorption windows, with different instruments and methods complicating the comparison between different observational levels (i.e., ground, airborne, satellites) and between sites equipped with different instruments with varying optical properties (spectral resolution and sampling intervals, spatial resolution). Additionally, the spatial and temporal variability of atmospheric properties can influence the retrieval of the weak SIF signal. Because of these complications, direct comparisons of airborne and ground SIF across scales are rarely attempted. Here, in this study, we combined airborne SIF data with simultaneous ‘ground truth’ data collected by stationary and mobile platforms in a soybean field in Nebraska, USA. In this effort, we tested several SIF extraction methods, including Fraunhofer Line Discrimination (FLD), improved Fraunhofer Line Discrimination (iFLD), Spectral Fitting Method (SFM), SpecFit, and a Singular Vector Decomposition (SVD) method. The SpecFit method was sensitive to the 715–740 nm water bands and removing the water bands in the fitting process yielded better agreement between the airborne and ground SIF spectra. Accurate estimation of the ground level downwelling irradiance obtained by ground measurements over a calibration target improved agreement between airborne and ground SIF retrievals at the O 2 A band, and allowed us to derive a SIF dataset with improved agreement across platforms and sampling scales. This experimental approach provided a method for generating comparable SIF signals across instruments, methods and platforms, which is critical to understanding the SIF-GPP relationship at different scales and to cross-validate the diversity of platforms used for satellite products calibration and validation.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Residual stress accumulation in large-scale Ti-6Al-4V wire-arc additive manufacturing

Large-scale additive manufacturing (AM) is of interest in the manufacturing industry to produce components of dimensions on the order of hundreds of millimeters to meters in scale. Wire-arc AM (WAAM) of Ti-6Al-4V (Ti64) is an attractive technique for large-scale AM in the aerospace industry, give the high strength-to-weight ratio of the material and high deposition rate of the process. However, due to the large scale, significant distortion and residual stresses are developed in the material during deposition and cooling, potentially leading to part failure. WAAM of a prototypical large-scale Ti64 machine tool component is studied in this work via finite element analysis (FEA). Element activation/deactivation technique is employed to simulate deposition and the resulting distortion and residual stress (RS) predictions are analyzed to evaluate the possibility of crack formation. Significant distortion (∼10 mm) and RS (>1300 MPa) is predicted, suggesting the formation of cracks and possible crack propagation into the build region. Incorporation of fillets significantly reduces RS concentration regions, thus reducing the possibility of part failure. Material deposition sequence also affects the RS pattern in the build.

Mathews, Ritin↗
DOE OSTI2020

Enabling Large-Scale Condensed-Phase Hybrid Density Functional Theory Based Ab Initio Molecular Dynamics. 1. Theory, Algorithm, and Performance

By including a fraction of exact exchange (EXX), hybrid functionals reduce the self-interaction error in semilocal density functional theory (DFT) and thereby furnish a more accurate and reliable description of the underlying electronic structure in systems throughout biology, chemistry, physics, and materials science. However, the high computational cost associated with the evaluation of all required EXX quantities has limited the applicability of hybrid DFT in the treatment of large molecules and complex condensed-phase materials. To overcome this limitation, we describe a linear-scaling approach that utilizes a local representation of the occupied orbitals (e.g., maximally localized Wannier functions (MLWFs)) to exploit the sparsity in the real-space evaluation of the quantum mechanical exchange interaction in finite-gap systems. In this work, we present a detailed description of the theoretical and algorithmic advances required to perform MLWF-based ab initio molecular dynamics (AIMD) simulations of large-scale condensed-phase systems of interest at the hybrid DFT level. We focus our theoretical discussion on the integration of this approach into the framework of Car–Parrinello AIMD, and highlight the central role played by the MLWF-product potential (i.e., the solution of Poisson’s equation for each corresponding MLWF-product density) in the evaluation of the EXX energy and wave function forces. We then provide a comprehensive description of the exx algorithm implemented in the open-source Quantum ESPRESSO program, which employs a hybrid MPI/OpenMP parallelization scheme to efficiently utilize the high-performance computing (HPC) resources available on current- and next-generation supercomputer architectures. Furthermore, this is followed by a critical assessment of the accuracy and parallel performance (e.g., strong and weak scaling) of this approach when AIMD simulations of liquid water are performed in the canonical (NVT) ensemble. With access to HPC resources, we demonstrate that exx enables hybrid DFT-based AIMD simulations of condensed-phase systems containing 500–1000 atoms (e.g., (H₂O)₂₅₆) with a wall time cost that is comparable to that of semilocal DFT. In doing so, exx takes us one step closer to routinely performing AIMD simulations of complex and large-scale condensed-phase systems for sufficiently long time scales at the hybrid DFT level of theory.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Scaling of Transition State Vibrational Frequencies and Application of d -Band Theory to the Brønsted–Evans–Polanyi Relationship on Surfaces

Semiempirical energy relations provide a means of estimating thermodynamic properties. Specifically, linear scaling relationships (LSRs) and Brønsted–Evans–Polanyi (BEP) relationships correlate adsorption energies between adsorbates across surfaces and reaction energies with activation barriers, respectively. Although vibrational scaling relations (VSRs) exist between adsorbates at identical sites, scaling between vibrational frequencies of adsorbed local minima and transition states is lacking. Here, we present density functional theory calculations for AH X (A = C, N, O) diffusions on transition metal surfaces and reveal linear scaling between frequencies of local minima and the transition state between those minima. Using d-band theory and linear muffin tin orbital theory (LMTO), we derive the slopes of these transition state vibrational scaling relations (TSVSRs) and, in so doing, provide a rigorous theory extending the original BEP relations developed for solution chemistry to surface chemistry. Furthermore, with a single reference DFT calculation, we predict the slopes and quantify uncertainty in the predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Soil Respiration Variability and Correlation Across a Wide Range of Temporal Scales

Abstract The high temporal variability of the soil‐to‐atmosphere CO 2 flux (soil respiration, R S ) has been studied at hourly to multiannual time scales but remains less well understood than R S spatial variability. How R S fluxes vary and are autocorrelated at various time lags has practical implications for sampling and more fundamentally for our understanding of its abiotic and biotic underlying mechanisms. We examined the variability, correlation, and sampling requirements of R S over a wide range of temporal scales in a temperate deciduous forest in eastern Maryland, USA, using both automated (temporally continuous, N = 30,036 over 10 months) and survey (spatially diverse, temporally sparse, N = 1,912 over 17 months) data. Data from a global R S database were also used to examine interannual variability in comparable forests. The coefficient of variability of successive measurements generally varied from the minute (median coefficient of variation 16%) to hourly and daily (11–12%) time scales. Successive R S values measured at a given collar exhibited a strong hour‐to‐hour correlation ( r = 0.931) and a moderate correlation at a 2‐hr lag (0.289); day‐to‐day (i.e., 24 hr lag) hourly observations were uncorrelated. Daily R S means were well correlated at a 1‐day lag ( r = 0.856) but not at any further time lag. In a linear mixed‐effects model predicting R S , soil temperature and moisture exerted consistently strong effects regardless of time scale, and model coefficient of variability was generally high (>80%). These results provide new opportunities to explore the drivers and variability of R S fluxes, quantify sampling requirements, and improve error propagation.

Bond‐Lamberty, Ben↗
DOE OSTI2015

Stabilization of electron-scale turbulence by electron density gradient in national spherical torus experiment

Theory and experiments have shown that electron temperature gradient (ETG) turbulence on the electron gyro-scale, k{sub ⊥}ρ{sub e} ≲ 1, can be responsible for anomalous electron thermal transport in NSTX. Electron scale (high-k) turbulence is diagnosed in NSTX with a high-k microwave scattering system [D. R. Smith et al., Rev. Sci. Instrum. 79, 123501 (2008)]. Here we report on stabilization effects of the electron density gradient on electron-scale density fluctuations in a set of neutral beam injection heated H-mode plasmas. We found that the absence of high-k density fluctuations from measurements is correlated with large equilibrium density gradient, which is shown to be consistent with linear stabilization of ETG modes due to the density gradient using the analytical ETG linear threshold in F. Jenko et al. [Phys. Plasmas 8, 4096 (2001)] and linear gyrokinetic simulations with GS2 [M. Kotschenreuther et al., Comput. Phys. Commun. 88, 128 (1995)]. We also found that the observed power of electron-scale turbulence (when it exists) is anti-correlated with the equilibrium density gradient, suggesting density gradient as a nonlinear stabilizing mechanism. Higher density gradients give rise to lower values of the plasma frame frequency, calculated based on the Doppler shift of the measured density fluctuations. Linear gyrokinetic simulations show that higher values of the electron density gradient reduce the value of the real frequency, in agreement with experimental observation. Nonlinear electron-scale gyrokinetic simulations show that high electron density gradient reduces electron heat flux and stiffness, and increases the ETG nonlinear threshold, consistent with experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Sparse maps—A systematic infrastructure for reduced-scaling electronic structure methods. II. Linear scaling domain based pair natural orbital coupled cluster theory

Domain based local pair natural orbital coupled cluster theory with single-, double-, and perturbative triple excitations (DLPNO-CCSD(T)) is a highly efficient local correlation method. It is known to be accurate and robust and can be used in a black box fashion in order to obtain coupled cluster quality total energies for large molecules with several hundred atoms. While previous implementations showed near linear scaling up to a few hundred atoms, several nonlinear scaling steps limited the applicability of the method for very large systems. In this work, these limitations are overcome and a linear scaling DLPNO-CCSD(T) method for closed shell systems is reported. The new implementation is based on the concept of sparse maps that was introduced in Part I of this series [P. Pinski, C. Riplinger, E. F. Valeev, and F. Neese, J. Chem. Phys. 143, 034108 (2015)]. Using the sparse map infrastructure, all essential computational steps (integral transformation and storage, initial guess, pair natural orbital construction, amplitude iterations, triples correction) are achieved in a linear scaling fashion. In addition, a number of additional algorithmic improvements are reported that lead to significant speedups of the method. The new, linear-scaling DLPNO-CCSD(T) implementation typically is 7 times faster than the previous implementation and consumes 4 times less disk space for large three-dimensional systems. For linear systems, the performance gains and memory savings are substantially larger. Calculations with more than 20 000 basis functions and 1000 atoms are reported in this work. In all cases, the time required for the coupled cluster step is comparable to or lower than for the preceding Hartree-Fock calculation, even if this is carried out with the efficient resolution-of-the-identity and chain-of-spheres approximations. The new implementation even reduces the error in absolute correlation energies by about a factor of two, compared to the already accurate previous implementation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantifying particle-scale 3D granular dynamics during rapid compaction from time-resolved in situ 2D x-ray images

Understanding the particle-scale dynamics of granular materials during rapid compaction and flow is of fundamental importance for manufacturing, planetary science, geology, and defense applications. Time-resolved 2D radiography and static 3D x-ray tomography are powerful in situ tools for studying particle-scale dynamics but provide detail only in 2D or with significant time-scale limitations, respectively. Here, we introduce a new method that uses 2D in situ x-ray imaging for determining time-resolved 3D particle-scale dynamics in rapidly compressed granular materials. The method employs initial particle packing structures obtained from x-ray tomography, a 2D x-ray image generation algorithm, and an optimization algorithm. We first describe and validate the method using finite element simulations. Furthermore, we then apply the technique to x-ray phase-contrast images obtained during rapid compaction of granular materials with varying particle morphology and sample thickness. The depth-resolved particle-scale dynamics reveal complex velocity and porosity fields evolving heterogeneously along and perpendicular to the compaction direction. We characterize these features, their fluctuations near the compaction front, and the compaction front thickness. Our technique can be applied to understanding granular dynamics during rapid compaction events, and rearrangements during slower, but non-quasi-static, flows.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Exploring the parameter space of MagLIF implosions using similarity scaling. III. Rise-time scaling

Magnetized liner inertial fusion (MagLIF) is a z-pinch magneto-inertial-fusion concept studied at the Z Pulsed Power Facility of Sandia National Laboratories. Two important metrics characterizing current delivery to a z-pinch load are the peak current and the current-rise time, which is roughly the time interval to reach the peak current. It is known that, when driving a z-pinch load with a longer current-rise time, the performance of the z-pinch decreases. However, a theory to understand and quantify this effect is still lacking. Here, in this paper, we utilize a framework based on similarity scaling to analytically investigate the variations in the performance of MagLIF loads when varying the current-rise time, or equivalently, the implosion timescale. To maintain similarity between the implosions, we provide scaling prescriptions of experimental input parameters defining a MagLIF load and derive the expected scaling laws for stagnation conditions and for various performance metrics. We compare predictions of the theory to 2D numerical simulations using the radiation, magneto-hydrodynamic code hydra. For several metrics, we find acceptable agreement between the theory and simulations. Our results show that the voltage φload near the MagLIF load follows a weak scaling law φload ∝$t_{φ}^{-0.12}$ with respect to the characteristic timescale t φ of the voltage source, instead of the ideal φload ∝$t_{φ}^{-1}$ scaling. This occurs because the imploding height of the MagLIF load must increase to preserve end losses. As a consequence of the longer imploding liners, the required total laser preheat energy and delivered electric energy increase. Overall, this study helps understand the trade-offs of the MagLIF design space when considering future pulsed-power generators with shorter and longer current-rise times.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Does jackknife scale really matter for accurate large-scale structure covariances?

ABSTRACT The jackknife method gives an internal covariance estimate for large-scale structure surveys and allows model-independent errors on cosmological parameters. Using the SDSS-III BOSS CMASS sample, we study how the jackknife size and number of resamplings impact the precision of the covariance estimate on the correlation function multipoles and the error on the inferred baryon acoustic scale. We compare the measurement with the MultiDark Patchy mock galaxy catalogues, and we also validate it against a set of lognormal mocks with the same survey geometry. We build several jackknife configurations that vary in size and number of resamplings. We introduce the Hartlap factor in the covariance estimate that depends on the number of jackknife resamplings. We also find that it is useful to apply the tapering scheme to estimate the precision matrix from a limited number of resamplings. The results from CMASS and mock catalogues show that the error estimate of the baryon acoustic scale does not depend on the jackknife scale. For the shift parameter α, we find an average error of 1.6 per cent, 2.2 per cent and 1.2 per cent, respectively, from CMASS, Patchy, and lognormal jackknife covariances. Despite these uncertainties fluctuate significantly due to some structural limitations of the jackknife method, our α estimates are in reasonable agreement with published pre-reconstruction analyses. Jackknife methods will provide valuable and complementary covariance estimates for future large-scale structure surveys.

Favole, Ginevra (ORCID:000000028218563X)↗