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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 1,117 records · Page 62
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Synchronous parallel spatially resolved stochastic cluster dynamics

In this work, a spatially resolved stochastic cluster dynamics (SRSCD) model for radiation damage accumulation in metals is implemented using a synchronous parallel kinetic Monte Carlo algorithm. The parallel algorithm is shown to significantly increase the size of representative volumes achievable in SRSCD simulations of radiation damage accumulation. Additionally, weak scaling performance of the method is tested in two cases: (1) an idealized case of Frenkel pair diffusion and annihilation, and (2) a characteristic example problem including defect cluster formation and growth in α-Fe. For the latter case, weak scaling is tested using both Frenkel pair and displacement cascade damage. To improve scaling of simulations with cascade damage, an explicit cascade implantation scheme is developed for cases in which fast-moving defects are created in displacement cascades. For the first time, simulation of radiation damage accumulation in nanopolycrystals can be achieved with a three dimensional rendition of the microstructure, allowing demonstration of the effect of grain size on defect accumulation in Frenkel pair-irradiated α-Fe.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Visualizing Clustering and Uncertainty Analysis with Multivariate Longitudinal Data

Multivariate time-series datasets are intrinsic to the study of dynamic, naturalistic behavior, such as in the applications of finance and motion video analysis. Statistical models provide the ability to identify event patterns in these data under conditions of uncertainty, but researchers must be able to evaluate how well a model uses available information in a dataset for clustering decisions and for uncertainty information. The Hidden Markov Model (HMM) is an established method for clustering time-series data, where the hidden states of the HMM are the clusters. We develop novel methods for quantifying the uncertainty of the performance of and for visualizing the clustering performance and uncertainty of fitting a HMM to multivariate time-series data. We explain the usefulness of uncertainty quantification and visualization with evaluating the performance of clustering models, as well as how information exploitation of time-series datasets can be enhanced. We implement our methods to cluster patterns of scanpaths from raw eye tracking data.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

The DESI One-Percent survey: exploring the Halo Occupation Distribution of Emission Line Galaxies with AbacusSummit simulations

The One-Percent survey of the Dark Energy Spectroscopic Instrument collected ~ 270k emission line galaxies (ELGs) at 0.8 < z < 1.6. The high completeness of the sample allowed the clustering to be measured down to scales never probed before, 0.04 Mpc/h in rp for the projected 2-point correlation function (2PCF) and 0.17 Mpc/h in galaxy pair separation s for the 2PCF monopole and quadrupole. The most striking feature of the measurements is a strong signal at the smallest scales, below 0.2 Mpc/h in rp and 1 Mpc/h in s. We analyse these data in the halo occupation distribution framework. We consider different distributions for central galaxies, a standard power law for satellites with no condition on the presence of a central galaxy and explore several extensions of these models. For all considered models, the mean halo mass of the sample is found to be log10 $\langle$Mh$\rangle$ ~ 11.9. We obtain a satellite mean occupation function which agrees with physically motivated ELG models only if we introduce central-satellite conformity, meaning that the satellite occupation is conditioned by the presence of central galaxies of the same type. To achieve in addition a good modelling of the clustering between 0.1 and 1 Mpc/h in rp, we allow for ELG positioning outside of the halo virial radius and find 0.5% of ELGs residing in the outskirts of halos. Furthermore, the satellite velocity dispersion inside halos is found to be ~ 30% larger than that of the halo dark matter particles. These are the main findings of our work. Here we investigate assembly bias as a function of halo concentration, local density or local density anisotropies and observe no significant change in our results. We split the data sample in two redshift bins and report no significant evolution with redshift. Lastly, changing the cosmology in the modelling impacts only slightly our results.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS1994

Velocity correlations of galaxy clusters

We determine the velocity correlation function, pairwise peculiar velocity difference, and rms pairwise peculiar velocity dispersion of rich clusters of galaxies, as a function of pair separation, for three cosmological models: Omega = 1 and Omega = 0.3 cold dark matter (CDM), and Omega = 0.3 primeval baryonic isocurvature (PBI) models (all flat and Cosmic Background Explorer (COBE)-normalized). We find that close cluster pairs, with separation r is less than or equal to 10/h Mpc, exhibit strong attractive peculiar velocities in all models; the cluster pairwise velocities depend sensitively on the model. The mean pairwise attractive velocity of clusters on 5/h Mpc scale ranges from approximately 1700 km/s for Omega = 1 CDM to approximately 1000 km/s for PBI to approximately 700 km/s for Omega = 0.3 CDM. The small-scale pairwise velocities depend also on cluster mass: richer, more massive clusters exhibit stronger attractive velocities than less massive clusters. On large scales, from approximately 20 to 200/h Mpc, the cluster peculiar velocities are increasingly dominated by bulk and random motions; they are independent of cluster mass. The cluster velocity correlation function is negative on small scales for Omega = 1 and Omega = 0.3 CDM, indicating strong pairwise motion relative to bulk motion on small scales; PBI exhibits relatively larger bulk motions. The cluster velocity correlation function is positive on very large scales, from r approximately 10/h Mpc to r approximately 200/h Mpc, for all models. These positive correlations, which decrease monotonically with scale, indicate significant bulk motions of clusters up to approximately 200/h Mpc. The strong dependence of the cluster velocity functions on models, especially at small separations, makes them useful tools in constraining cosmological models when compared with observations.

Cen, Renyue↗
DOE OSTI2016

Coupled Modeling of Hydrodynamics and Sound in Coastal Ocean for Renewable Ocean Energy Development

An underwater sound model was developed to simulate sound propagation from marine and hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite difference methods were developed to solve the 3D Helmholtz equation for sound propagation in the coastal environment. A 3D sparse matrix solver with complex coefficients was formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method was applied to solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model was then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities, such as construction of OSW turbines or tidal stream turbine operations, in a range-dependent setting. As a proof of concept, initial validation of the solver is presented for two coastal wedge problems. This sound model can be useful for evaluating impacts on marine mammals due to deployment of MHK devices and OSW energy platforms.

Long, Wen↗
NASA NTRS1988

Lyman-alpha clouds as a relic of primordial density fluctuations

Primordial density fluctuations are studied using a CDM model and primordial clouds some of which are expanding, driven by pressure gradients created when the medium is photionized, and some of which are massive enough to continue collapsing in spite of the pressure. Normalization of CDM models to the clustering properties on large scales are used to predict the parameters of collapsing clouds of subgalactic mass at early epochs. It is shown that the abundance and dimensions of these clouds are comparable to those of the Lyman-alpha systems. The evolutionary history of the clouds is computed, utilizing a spherically symmetric hydrodynamics code with the dark matter treated as a collisionless fluid, and the H I column density distribution is evaluated as a function of N(H I) and redshift. The observed cloud parameters come out naturally in the CDM model and suggest that Lyman-alpha clouds are the missing link between primordial density fluctuations and the formation of galaxies.

Bond, J. R.↗
NASA NTRS1995

Numerical Simulations of High Enthalpy Pulse Facilities

Axisymmetric flows within shock tubes and expansion tubes are simulated including the effects of finite rate chemistry and both laminar and turbulent boundary layers. The simulations demonstrate the usefulness of computational fluid dynamics for characterizing the flows in high enthalpy pulse facilities. The modeling and numerical requirements necessary to simulate these flows accurately are also discussed. Although there is a large body of analysis which explains and quantifies the boundary layer growth between the shock and the interface in a shock tube, there is a need for more detailed solutions. Phenomena such as thermochemical nonequilibrium. or turbulent transition behind the shock are excluded in the assumptions of Mirels' analysis. Additionally there is inadequate capability to predict the influence of the boundary layer on the expanded gas behind the interface. Quantifying the gas in this region is particularly important in expansion tubes because it is the location of the test gas. Unsteady simulations of the viscous flow in shock tubes are computationally expensive because they must follow features such as a shock wave over the length of the facility and simultaneously resolve the small length scales within the boundary layer. As a result, efficient numerical algorithms are required. The numerical approach of the present work is to solve the axisymmetric gas dynamic equations using an finite-volume formulation where the inviscid fluxes are computed with a upwind TVD scheme. Multiple species equations are included in the formulation so that finite-rate chemistry can be modeled. The simulations cluster grid points at the shock and interface and translate this clustered grid with these features to minimize numerical errors. The solutions are advanced at a CFL number of less than one based on the inviscid gas dynamics. To avoid limitations on the time step due to the viscous terms, these terms are treated implicitly. This requires a block tri-diagonal matrix inversion along each line of cells normal to the wall. The cost of this inversion is more than offset by the larger allowable time step. The source terms representing the finite-rate chemical kinetics are also treated implicitly. An algebraic turbulence model for compressible flow is used. The flow in a low pressure shock tube is computed and the results are compared with Mirels'analysis. The driven gas is nitrogen at 70 Pa, and the incident shock speed is approximately 2.9 km/sec so that there is little dissociation. The simulations include a laminar boundary layer and are run until the limiting flow regime is achieved. At this limit, the shock and interface travel at the same velocity because the amount of driven gas between these two features remains the same: the mass flow across the shock is equal to the mass of gas being entrained at the interface by the boundary layer. Simulations with several grids are presented to establish the grid independence of the solution, Good agreement is achieved between Mirels' correlations and the computations. This is expected since the flow conditions are chosen to be consistent with the assumptions used in Mirels' analysis. This comparison adds credibility to the numerical approach and highlights some of the differences between the theory and the detailed simulations. In addition, simulations of the HYPULSE expansion tube are presented for two operating conditions and the computations are compared to experimental data. The operating gas for both cases is nitrogen. One test condition is at a total enthalpy of 15.2 MJ/Kg and a relatively low pressure of 2 kPa. This case is characterized by a laminar boundary layer and significant chemical nonequilibrium. in the acceleration gas. The second test condition is at a total enthalpy of 10.2 MJ/Kg and a pressure of 38 kPa and is characterized by a turbulent boundary layer. The simulations compare well with experiment and reveal that the nonuniformity in pressure observed during the test time is related to variations in the boundary layer displacement thickness.

Wilson, Gregory J.↗
NASA NTRS2018

Numerical Study of Turbulent Separation Bubbles with Varying Pressure Gradient and Reynolds Number

A family of cases each containing a small separation bubble is treated by direct numerical simulation (DNS), varying two parameters: the severity of the pressure gradients, generated by suction and blowing across the opposite boundary, and the Reynolds number. Each flow contains a well-developed entry region with essentially zero pressure gradient, and all are adjusted to have the same value for the momentum thickness, extrapolated from the entry region to the centre of the separation bubble. Combined with fully defined boundary conditions this will make comparisons with other simulations and turbulence models rigorous; we present results for a set of eight Reynolds-averaged Navier–Stokes turbulence models. Even though the largest Reynolds number is approximately 5.5 times higher than in a similar DNS study we presented in 1997, the models have difficulties matching the DNS skin friction very closely even in the zero pressure gradient, which complicates their assessment. In the rest of the domain, the separation location per se is not particularly difficult to predict, and the most definite disagreement between DNS and models is near reattachment. Curiously, the better models tend to cluster together in their predictions of pressure and skin friction even when they deviate from the DNS, although their eddy-viscosity levels are widely different in the outer region near the bubble (or they do not rely on an eddy viscosity). Stratford’s square-root law is satisfied by the velocity profiles, both at separation and reattachment. The Reynolds-number range covers a factor of two, with the Reynolds number based on the extrapolated momentum thickness equal to approximately 1500 and 3000. This allows tentative estimates of the improvements that even higher values will bring to the model comparisons. The solutions are used to assess models through pressure, skin friction and other measures; the flow fields are also used to produce effective eddy-viscosity targets for the models, thus guiding turbulence-modelling work in each region of the flow.

Coleman, G. N.↗
DOE OSTI2015

The Development of a Finite Volume Method for Modeling Sound in Coastal Ocean Environment

: As the rapid growth of marine renewable energy and off-shore wind energy, there have been concerns that the noises generated from construction and operation of the devices may interfere marine animals’ communication. In this research, a underwater sound model is developed to simulate sound prorogation generated by marine-hydrokinetic energy (MHK) devices or offshore wind (OSW) energy platforms. Finite volume and finite difference methods are developed to solve the 3D Helmholtz equation of sound propagation in the coastal environment. For finite volume method, the grid system consists of triangular grids in horizontal plane and sigma-layers in vertical dimension. A 3D sparse matrix solver with complex coefficients is formed for solving the resulting acoustic pressure field. The Complex Shifted Laplacian Preconditioner (CSLP) method is applied to efficiently solve the matrix system iteratively with MPI parallelization using a high performance cluster. The sound model is then coupled with the Finite Volume Community Ocean Model (FVCOM) for simulating sound propagation generated by human activities in a range-dependent setting, such as offshore wind energy platform constructions and tidal stream turbines. As a proof of concept, initial validation of the finite difference solver is presented for two coastal wedge problems. Validation of finite volume method will be reported separately.

Coastal↗
DOE OSTI2016

Revisiting the formation of cyclic clusters in liquid ethanol

The liquid phase of ethanol in pure and in non-polar solvents was studied at room temperature using Fourier transform infrared (FT-IR) and {sup 1}H nuclear magnetic resonance (NMR) spectroscopies together with theoretical approach. The FT-IR spectra for pure ethanol and solution in cyclohexane at different dilution stages are consistent with {sup 1}H NMR results. The results from both methods were best explained by the results of the density functional theory based on a multimeric model. It is suggested that cyclic trimers and tetramers are dominated in the solution of cyclohexane/hexane with the concentration greater than 0.5M at room temperature. In liquid ethanol, while the primary components at room temperature are cyclic trimers and tetramers, there is a certain amount (∼14%) of open hydroxide group representing the existence of chain like structures in the equilibria. The cyclic cluster model in the liquid and concentrated solution phase (>0.5M) can be used to explain the anomalously lower freezing point of ethanol (159 K) than that of water (273 K) at ambient conditions. In addition, {sup 1}H NMR at various dilution stages reveals the dynamics for the formation of cyclic clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Error modeling for surrogates of dynamical systems using machine learning: Machine-learning-based error model for surrogates of dynamical systems

A machine learning–based framework for modeling the error introduced by surrogate models of parameterized dynamical systems is proposed. The framework entails the use of high-dimensional regression techniques (eg, random forests, and LASSO) to map a large set of inexpensively computed “error indicators” (ie, features) produced by the surrogate model at a given time instance to a prediction of the surrogate-model error in a quantity of interest (QoI). This eliminates the need for the user to hand-select a small number of informative features. The methodology requires a training set of parameter instances at which the time-dependent surrogate-model error is computed by simulating both the high-fidelity and surrogate models. Using these training data, the method first determines regression-model locality (via classification or clustering) and subsequently constructs a “local” regression model to predict the time-instantaneous error within each identified region of feature space. We consider 2 uses for the resulting error model: (1) as a correction to the surrogate-model QoI prediction at each time instance and (2) as a way to statistically model arbitrary functions of the time-dependent surrogate-model error (eg, time-integrated errors). We then apply the proposed framework to model errors in reduced-order models of nonlinear oil-water subsurface flow simulations, with time-varying well-control (bottom-hole pressure) parameters. The reduced-order models used in this work entail application of trajectory piecewise linearization in conjunction with proper orthogonal decomposition. Moreover, when the first use of the method is considered, numerical experiments demonstrate consistent improvement in accuracy in the time-instantaneous QoI prediction relative to the original surrogate model, across a large number of test cases. When the second use is considered, results show that the proposed method provides accurate statistical predictions of the time- and well-averaged errors.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1989

Active galactic nuclei. III - Accretion flow in an externally supplied cluster of black holes

This third paper in the series modeling QSOs and AGNs as clusters of accreting black holes studies the accretion flow within an externally supplied cluster. Significant radiation will be emitted by the cluster core, but the black holes in the outer halo, where the flow is considered spherically symmetric, will not contribute much to the overall luminosity of the source because of their large velocities relative to the infalling gas and therefore their small accretion radii. As a result, the scenario discussed in Paper I will refer to the cluster cores, rather than to entire clusters. This will steepen the high-frequency region of the spectrum unless inverse Compton scattering is effective. In many cases accretion flow in the central part of the cluster will be optically thick to electron scattering, resulting in a spectrum featuring optically thick radiative component in addition to power-law regimes. The fitting of these spectra to QSO and AGN observations is discussed, and application to 3C 273 is worked out as an example.

Pacholczyk, A. G.↗
NASA NTRS2004

Chemical models for simulating single-walled nanotube production in arc vaporization and laser ablation processes

Chemical kinetic models for the nucleation and growth of clusters and single-walled carbon nanotube (SWNT) growth are developed for numerical simulations of the production of SWNTs. Two models that involve evaporation and condensation of carbon and metal catalysts, a full model involving all carbon clusters up to C80, and a reduced model are discussed. The full model is based on a fullerene model, but nickel and carbon/nickel cluster reactions are added to form SWNTs from soot and fullerenes. The full model has a large number of species--so large that to incorporate them into a flow field computation for simulating laser ablation and arc processes requires that they be simplified. The model is reduced by defining large clusters that represent many various sized clusters. Comparisons are given between these models for cases that may be applicable to arc and laser ablation production. Solutions to the system of chemical rate equations of these models for a ramped temperature profile show that production of various species, including SWNTs, agree to within about 50% for a fast ramp, and within 10% for a slower temperature decay time.

Nanotubes, Carbon/chemistry↗
NASA NTRSDate not supplied

Clustering Approach To Identifying Low Lunar Frozen Orbits In A High-Fidelity Model

Low lunar frozen orbits are of continued interest in the astrodynamics community for trajectory design and space domain awareness. This paper presents a data-driven approach to analyzing a wide variety of numerically-generated lunar trajectories in a 100 × 100 lunar gravity model with the point mass gravity of the Earth and Sun. First, clustering is used to extract a summary of these trajectories: within each cluster, trajectories possess a geometrically similar evolution of perilune but varying drift and lifetimes. Within some clusters, trajectories with a bounded perilune evolution are also identified to produce candidates for lunar frozen orbits of distinct geometries.

lunar frozen orbit gravity model data clustering↗
DOE OSTI2017

Strong lensing analysis of the galaxy cluster MACS J1319.9+7003 and the discovery of a shell galaxy

We present a strong-lensing (SL) analysis of the galaxy cluster MACS J1319.9+7003 (z = 0.33, also known as Abell 1722), as part of our ongoing effort to analyze massive clusters with archival Hubble Space Telescope (HST) imaging. We spectroscopically measured with Keck/Multi-Object Spectrometer For Infra-Red Exploration (MOSFIRE) two galaxies multiply imaged by the cluster. Our analysis reveals a modest lens, with an effective Einstein radius of θ{sub e}(z=2)=12±1{sup ′′}, enclosing 2.1±0.3×10{sup 13} M{sub ⊙}. We briefly discuss the SL properties of the cluster, using two different modeling techniques (see the text for details), and make the mass models publicly available (ftp://wise-ftp.tau.ac.il/pub/adiz/MACS1319/). Independently, we identified a noteworthy, young shell galaxy (SG) system forming around two likely interacting cluster members, 20″ north of the brightest cluster galaxy. SGs are rare in galaxy clusters, and indeed, a simple estimate reveals that they are only expected in roughly one in several dozen, to several hundred, massive galaxy clusters (the estimate can easily change by an order of magnitude within a reasonable range of characteristic values relevant for the calculation). Taking advantage of our lens model best-fit, mass-to-light scaling relation for cluster members, we infer that the total mass of the SG system is ∼1.3×10{sup 11} M{sub ⊙}, with a host-to-companion mass ratio of about 10:1. Despite being rare in high density environments, the SG constitutes an example to how stars of cluster galaxies are efficiently redistributed to the intra-cluster medium. Dedicated numerical simulations for the observed shell configuration, perhaps aided by the mass model, might cast interesting light on the interaction history and properties of the two galaxies. An archival HST search in galaxy cluster images can reveal more such systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2017

Data-driven fuel consumption estimation: A multivariate adaptive regression spline approach

Providing guidance and information to drivers to help them make fuel-efficient route choices remains an important and effective strategy in the near term to reduce fuel consumption from the transportation sector. One key component in implementing this strategy is a fuel-consumption estimation model. In this paper, we developed a mesoscopic fuel consumption estimation model that can be implemented into an eco-routing system. Our proposed model presents a framework that utilizes large-scale, real-world driving data, clusters road links by free-flow speed and fits one statistical model for each of cluster. This model includes predicting variables that were rarely or never considered before, such as free-flow speed and number of lanes. We applied the model to a real-world driving data set based on a global positioning system travel survey in the Philadelphia-Camden-Trenton metropolitan area. Results from the statistical analyses indicate that the independent variables we chose influence the fuel consumption rates of vehicles. But the magnitude and direction of the influences are dependent on the type of road links, specifically free-flow speeds of links. Here, a statistical diagnostic is conducted to ensure the validity of the models and results. Although the real-world driving data we used to develop statistical relationships are specific to one region, the framework we developed can be easily adjusted and used to explore the fuel consumption relationship in other regions.

30 DIRECT ENERGY CONVERSION↗
DOE OSTI2023

Microstructure modeling of nuclear structural materials: Recent progress and future directions

Modeling and simulation of microstructures are essential to understand the complex responses and behaviors of nuclear materials in extreme environments. The needs to assess the extended life operation as well as the growing interest in accelerating nuclear materials development and qualification have stimulated the use of high-fidelity multiscale models aided by empirical and ab initio data. This paper reviews the role of various models across different length and time scales in investigating irradiation effects on microstructure evolution and degradation, in particular the embrittlement caused by radiation induced or enhanced formation of nanoscale chemical heterogeneities. The strength and limitations of these models, including classical rate theories, cluster dynamics, phase-field methods, and atomistic models informed by ab initio energies, are discussed with seminal examples. Challenges regarding the lack of thermo-kinetic data and theoretical treatments considering chemical complexities and magnetic excitations, as well as the stabilizing effect by excess point defects in nuclear structural materials are presented, along with potential solutions based on ab initio informed surrogate energy models and statistical sampling by Monte Carlo simulations. Further, the review then highlights the opportunities to leverage the advantages of different methods by establishing hybrid models by shared variables or coupled codes and applications. Finally, the review concludes with forward-looking remarks on how the use of physics-based models can aid the improvement of machine-learning models of property degradation and vice versa.

36 MATERIALS SCIENCE↗
DOE OSTI2015

PROBING THE ROLE OF DYNAMICAL FRICTION IN SHAPING THE BSS RADIAL DISTRIBUTION. I. SEMI-ANALYTICAL MODELS AND PRELIMINARY N-BODY SIMULATIONS

We present semi-analytical models and simplified N-body simulations with 10{sup 4} particles aimed at probing the role of dynamical friction (DF) in determining the radial distribution of blue straggler stars (BSSs) in globular clusters. The semi-analytical models show that DF (which is the only evolutionary mechanism at work) is responsible for the formation of a bimodal distribution with a dip progressively moving toward the external regions of the cluster. However, these models fail to reproduce the formation of the long-lived central peak observed in all dynamically evolved clusters. The results of N-body simulations confirm the formation of a sharp central peak, which remains as a stable feature over time regardless of the initial concentration of the system. In spite of noisy behavior, a bimodal distribution forms in many cases, with the size of the dip increasing as a function of time. In the most advanced stages, the distribution becomes monotonic. These results are in agreement with the observations. Also, the shape of the peak and the location of the minimum (which, in most of cases, is within 10 core radii) turn out to be consistent with observational results. For a more detailed and close comparison with observations, including a proper calibration of the timescales of the dynamical processes driving the evolution of the BSS spatial distribution, more realistic simulations will be necessary.

79 ASTRONOMY AND ASTROPHYSICS↗