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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 955 records · Page 53

Use of a controlled experiment and computational models to measure the impact of sequential peer exposures on decision making

It is widely believed that one’s peers influence product adoption behaviors. This relationship has been linked to the number of signals a decision-maker receives in a social network. But it is unclear if these same principles hold when the “pattern” by which it receives these signals vary and when peer influence is directed towards choices which are not optimal. To investigate that, we manipulate social signal exposure in an online controlled experiment using a game with human participants. Each participant in the game decides among choices with differing utilities. We observe the following: (1) even in the presence of monetary risks and previously acquired knowledge of the choices, decision-makers tend to deviate from the obvious optimal decision when their peers make a similar decision which we call the influence decision, (2) when the quantity of social signals vary over time, the forwarding probability of the influence decision and therefore being responsive to social influence does not necessarily correlate proportionally to the absolute quantity of signals. To better understand how these rules of peer influence could be used in modeling applications of real world diffusion and in networked environments, we use our behavioral findings to simulate spreading dynamics in real world case studies. We specifically try to see how cumulative influence plays out in the presence of user uncertainty and measure its outcome on rumor diffusion, which we model as an example of sub-optimal choice diffusion. Together, our simulation results indicate that sequential peer effects from the influence decision overcomes individual uncertainty to guide faster rumor diffusion over time. However, when the rate of diffusion is slow in the beginning, user uncertainty can have a substantial role compared to peer influence in deciding the adoption trajectory of a piece of questionable information.

97 MATHEMATICS AND COMPUTING↗

Comparison of AGR-3/4 Fission Product Transport Model to Measurements and Extraction of Diffusivities via Analytical Fits

A one-dimensional finite-element model based on the MOOSE framework has been constructed, and overall transport estimates are predicted based on available diffusivities and sorption isotherms in the extant literature. The predicted transport profiles are compared to experimental results, where such results are available, including total inventory analysis of gamma emitters, liquid scintillation results for Sr-90 concentrations, radial deconsolidation leach-burn-leach within compacts, tomographic reconstructions based on detailed gamma scanning and destructive physical sampling of several rings. The magnitude of expected transport to the sink ring is generally predicted by the model for silver and cesium, however, modeled detailed concentration profiles are not consistent with experimental results. Strontium and europium transport is not well characterized by model results.

07 ISOTOPE AND RADIATION SOURCES↗

A Finite Difference informed Random Walk solver for simulating radiation defect evolution in polycrystalline structures with strongly inhomogeneous diffusivity

Diffusivity of species and defects on grain boundaries is usually several orders of magnitude larger than that inside grains. Such strongly inhomogeneous diffusivity requires prohibitively high computational demands for modeling microstructural evolution. Here, this paper presents a highly-efficient numerical solver, combining the Finite Difference method and Random Walk model, designed for accurately modeling strongly inhomogeneous diffusion within polycrystalline structures. The proposed solver, termed Finite Difference informed Random Walk (FDiRW), integrates a customized Finite Difference (cFD) scheme tailored for fast diffusion along thin grain boundaries represented by a single-layer of nodes. Numerical experiments demonstrate that the FDiRW solver achieves an impressive efficiency gain of 1560x compared to traditional Finite Difference methods while maintaining accuracy, making it feasible for personal computer machines to handle diffusional systems with strongly inhomogeneous diffusivity across static polycrystalline microstructures. The model has been successfully applied to simulate radiation defect evolution, showcasing its scalability to engineering scales in both length and time dimensions.

36 MATERIALS SCIENCE↗

An investigation of the solar zenith angle variation of D-region ionization

Model calculations are carried out with a view to interpreting the solar zenith angle variation of D-region ionization. A model is developed for the neutral chemistry including the transport terms relating to molecular and eddy diffusion. The diurnal behavior is described of the minor neutral constituents formed in an oxygen-hydrogen-nitrogen atmosphere, in the height interval between 30 and 120 km. Computations carried out for two cases of the eddy diffusion coefficients models indicate that the constituents which are important for the D-region positive-ion chemistry do not show a significant variation with zenith angle for values up to 75 deg over the D-region heights. In the ion chemistry model, ion-pair production rates are calculated for solar X-rays between 1 A and 100 A, EUV radiations from 100 A up to the Lyman-alpha line, precipitating electrons, and galactic cosmic rays. The solar zenith angle variation of the positive-ion composition, negative-ion composition, and the electron densities are described up to 75 deg zenith angle, in the height interval between 60 and 100 km.

Ratnasiri, P. A. J.↗

Reproducibility of protein x-ray diffuse scattering and potential utility for modeling atomic displacement parameters

Protein structure and dynamics can be probed using x-ray crystallography. Whereas the Bragg peaks are only sensitive to the average unit-cell electron density, the signal between the Bragg peaks—diffuse scattering—is sensitive to spatial correlations in electron-density variations. Although diffuse scattering contains valuable information about protein dynamics, the diffuse signal is more difficult to isolate from the background compared to the Bragg signal, and the reproducibility of diffuse signal is not yet well understood. We present a systematic study of the reproducibility of diffuse scattering from isocyanide hydratase in three different protein forms. Both replicate diffuse datasets and datasets obtained from different mutants were similar in pairwise comparisons (Pearson correlation coefficient ≥0.8). The data were processed in a manner inspired by previously published methods using custom software with modular design, enabling us to perform an analysis of various data processing choices to determine how to obtain the highest quality data as assessed using unbiased measures of symmetry and reproducibility. The diffuse data were then used to characterize atomic mobility using a liquid-like motions (LLM) model. This characterization was able to discriminate between distinct anisotropic atomic displacement parameter (ADP) models arising from different anisotropic scaling choices that agreed comparably with the Bragg data. Our results emphasize the importance of data reproducibility as a model-free measure of diffuse data quality, illustrate the ability of LLM analysis of diffuse scattering to select among alternative ADP models, and offer insights into the design of successful diffuse scattering experiments.

59 BASIC BIOLOGICAL SCIENCES↗

Multiscale, mechanistic modeling of irradiation-enhanced silver diffusion in TRISO particles

Tristructural isotropic (TRISO) particles are under consideration for use in several proposed advanced nuclear reactor concepts. The silicon carbide (SiC) layer in TRISO acts as a barrier to prevent the release of the fission products. However, despite remarkable retention, silver (Ag) release has been observed from intact particles, which requires investigation since the Ag isotope ( 110m Ag) has a long half-life. Previous work focused on developing a multiscale, mechanistic model for Ag diffusion accounting for temperature and microstructure effect and has been successfully validated. In this work, we expand the previous model to account for irradiation-enhanced Ag diffusivity in SiC and improve its accuracy over a wider grain size and temperature ranges relevant for advanced reactor conditions. A temperature, grain size, and flux dependent diffusivity is therefore derived using the mesoscale code MARMOT and implemented in the fuel performance code BISON. The irradiation-enhanced Ag diffusivity in SiC is compared against experimental data and validated using BISON against Ag release measurements from the Advanced Gas Reactor Fuel Development and Qualification Program (AGR-1 and AGR-2). Herein, we quantify the impact of SiC grain size, irradiation, and temperature on Ag release. In agreement with previous studies, we find accounting for SiC grain size improves agreement between BISON predictions and experimental observations for most cases. In conclusion, we also find that accounting for irradiation improves agreement for cases where Ag release was underestimated, but the impact was less significant than accounting for microstructure.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

A regularized deconvolution method for turbulent closure modeling in implicitly filtered large-eddy simulation

Turbulence closure models that are based on a regularized deconvolution method (RDM) are proposed for application to implicitly filtered Large-Eddy Simulation (LES). This method reconstructs sub-grid scale contributions by approximately recovering filtered quantities through an optimization approach. Physical principles on the boundedness and conservation of reconstructed quantities are preserved by constraining the optimization problem. Further, to account for effects of scales that are not resolved in implicitly filtered LES, a reconstruction method is proposed that combines sub-grid projection and energy-similarity to enrich unresolved scales. With this method, closure models are developed for turbulent scalar fluxes and turbulence–chemistry interaction that are intrinsically consistent with the LES formulation. These closure models are evaluated in application to a piloted turbulent jet flame with inhomogeneous inlet composition, in which combustion is represented by a two-scalar manifold model. The RDM-formulation is benchmarked against simulations obtained using a presumed PDF method and eddy diffusivity closure model. In partially-premixed flame regions, it is observed that RDM improves the prediction of turbulent mixing, and faster grid convergence is observed for results with RDM compared to simulations employing a presumed PDF method.

42 ENGINEERING↗

Multifidelity Monte Carlo Estimation of Variance and Sensitivity Indices

Variance-based sensitivity analysis provides a quantitative measure of how uncertainty in a model input contributes to uncertainty in the model output. Such sensitivity analyses arise in a wide variety of applications and are typically computed using Monte Carlo estimation, but the many samples required for Monte Carlo to be sufficiently accurate can make these analyses intractable when the model is expensive. This paper presents a multifidelity approach for estimating sensitivity indices that leverages cheaper low-fidelity models to reduce the cost of sensitivity analysis while retaining accuracy guarantees via recourse to the original, expensive model. This paper develops new multifidelity estimators for variance and for the Sobol' main and total effect sensitivity indices. We discuss strategies for dividing limited computational resources among models and specify a recommended strategy. Results are presented for the Ishigami function and a convection-diffusion-reaction model that demonstrate up to $10\times$ speedups for fixed convergence levels. Finally, for the problems tested, the multifidelity approach allows inputs to be definitively ranked in importance when Monte Carlo alone fails to do so.

97 MATHEMATICS AND COMPUTING↗

Prediction of active control of subsonic centrifugal compressor rotating stall

A mathematical model is developed to predict the suppression of rotating stall in a centrifugal compressor with a vaned diffuser. This model is based on the employment of a control vortical waveform generated upstream of the impeller inlet to damp weak potential disturbances that are the early stages of rotating stall. The control system is analyzed by matching the perturbation pressure in the compressor inlet and exit flow fields with a model for the unsteady behavior of the compressor. The model was effective at predicting the stalling behavior of the Purdue Low Speed Centrifugal Compressor for two distinctly different stall patterns. Predictions made for the effect of a controlled inlet vorticity wave on the stability of the compressor show that for minimum control wave magnitudes, on the order of the total inlet disturbance magnitude, significant damping of the instability can be achieved. For control waves of sufficient amplitude, the control phase angle appears to be the most important factor in maintaining a stable condition in the compressor.

Lawless, Patrick B.↗

Quentin Faure Internship Report

During the internship, the student has studied and modeled hydrogen diffusion, desorption, and adsorption in ZrH and YH using Bison. The student will move towards coupling the model developed in Bison for hydrogen migration to the neutronic response obtained from Griffin for the unit cell of a prototypical microreactor. Due to the length of the report being short, only a small part of the YH modeling is being presented here.

36 MATERIALS SCIENCE↗

Atomistic modeling of metal–nonmetal interphase boundary diffusion

Atomistic computer simulations are applied to investigate the atomic structure, thermal stability, and diffusion processes in Al–Si interphase boundaries as a prototype of metal–ceramic interfaces in composite materials. Some of the most stable orientation relationships between the phases found in this work were previously observed in epitaxy experiments. Here, a non-equilibrium interface can transform to a more stable state by a mechanism that we call interface-induced recrystallization. Diffusion of both Al and Si atoms in stable Al–Si interfaces is surprisingly slow compared with diffusion of both elements in Al grain boundaries but can be accelerated in the presence of interface disconnections. A qualitative explanation of the sluggish interphase boundary diffusion is proposed. Atomic mechanisms of interphase boundary diffusion are similar to those in metallic grain boundaries and are dominated by correlated atomic rearrangements in the form of strings and rings of collectively moving atoms.

36 MATERIALS SCIENCE↗

Ion radial diffusion in an electrostatic impulse model for stormtime ring current formation

Guiding-center simulations of stormtime transport of ring-current and radiation-belt ions having first adiabatic invariants mu is approximately greater than 15 MeV/G (E is approximately greater than 165 keV at L is approximately 3) are surprisingly well described (typically within a factor of approximately less than 4) by the quasilinear theory of radial diffusion. This holds even for the case of an individual model storm characterized by substorm-associated impulses in the convection electric field, provided that the actual spectrum of the electric field is incorporated in the quasilinear theory. Correction of the quasilinear diffusion coefficient D(sub LL)(sup ql) for drift-resonance broadening (so as to define D(sub LL)(sup ql)) reduced the typical discrepancy with the diffusion coefficients D(sub LL)(sup sim) deduced from guiding-center simulations of representative-particle trajectories to a factor of approximately 3. The typical discrepancy was reduced to a factor of approximately 1.4 by averaging D(sub LL)(sup sim), D(sub LL)(sup ql), and D(sub LL)(sup rb) over an ensemble of model storms characterized by different (but statistically equivalent) sets of substorm-onset times.

Chen, Margaret W.↗

Interplanetary propagation of flare-associated energetic particles

The basic propagation process of flare-associated energetic particles in interplanetary space is studied on the basis of a model which combines a Gaussian coronal injection profile and interplanetary particle densities found by a theory of focused diffusion. The model is used to describe 30 electron and proton events which originate from the western hemisphere of the sun. A comparison of calculated and observed density profiles shows that the scattering mean free path is 0.1-0.3 AU for 4-80 MeV protons. The value is two or three times smaller for 0.5-1.1 and 3-12 MeV electrons. Thus the scattering mean free path is only slightly rigidity-dependent, contrary to that predicted by the quasi-linear theory of pitch-angle scattering. The rms width is found to be less than an hour for most proton and electron events. This width, which decreases with velocity, is not rigidity-dependent.

Ma Sung, L. S.↗

Cosmic ray albedo gamma rays from the quiet sun

We estimate the flux of gamma-rays that result from collisions of high energy galactic cosmic rays with the solar atmosphere. An important aspect of our model is the propagation of cosmic rays through the magnetic fields of the inner solar systems. We use diffusion to model propagation down to the bottom of the corona. Below the corona we trace particle orbits through the photospheric fields to determine the location of cosmic ray interactions in the solar atmosphere and evolve the resultant cascades. For our nominal choice of parameters, we predict an integrated flux of gamma rays (at 1 AU) of F(E(sub gamma) greater than 100 MeV) approximately = 5 x 10(exp -8)/sq cm sec. This can be an order of magnitude above the galactic background and should be observable by the Energetic Gamma Ray experiment telescope (EGRET).

Seckel, D.↗

The X-ray shadow of the high-latitude molecular cloud MBM 12

ROSAT XRT/PSPC observations show a deep shadow cast by the high-latitude molecular cloud MBM 12 in the 3/4 keV diffuse background. Modeling of the shadow implies that less than 20 percent of the typical high-latitude 3/4 keV diffuse background intensity is emitted in front of the cloud (D = 60-70 pc). A weaker shadow consistent with the lower optical depth at higher energies was observed in the 1.5 keV band. Since little shadowing was seen in the 1/4 keV band, this observation places strong constraints on the amount of 0.5-2 keV emission that is intermixed with the source of the observed 1/4 keV flux.

Snowden, S. L.↗

A soft X-ray map of the Perseus cluster of galaxies

A 0.5-3-keV X-ray map of the Perseus cluster of galaxies is presented. The map shows a region of strong emission centered near NGC 1275 plus a highly elongated emission region which lies along the line of bright galaxies that dominates the core of the cluster. The data are compared with various models that include point and diffuse sources. One model which adequately represents the data is the superposition of a point source at NGC 1275 and an isothermal ellipsoid resulting from the bremsstrahlung emission of cluster gas. The ellipsoid has a major core radius of 20.5 arcmin and a minor core radius of 5.5 arcmin, consistent with the values obtained from galaxy counts. All acceptable models provide evidence for a compact source (less than 3 arcmin FWHM) at NGC 1275 containing about 25% of the total emission. Since the diffuse X-ray and radio components have radically different morphologies, it is unlikely that the emissions arise from a common source, as proposed in inverse-Compton models.

Cash, W.↗

Far-infrared sources in Cygnus X - An extended emission complex at DR 21 and unresolved sources at S106 and ON 2

A new map of 90 micron emission with 15 arcmin resolution is presented of a complex of sources approximately centered on DR 21. The emission is primarily from diffuse sources. Comparison of the 90 micron map with maps at 20 microns and 2.7 GHz leads to a model for diffuse sources in which there are at least two components of interstellar dust, one at 40 K and one at 165 K, responsible for the 90 micron and 20 micron emission respectively. Both components and the ionized gas must be mixed together; dust in an outer neutral shell is relatively unimportant for these sources. The diffuse sources have small infrared excesses and weak temperature gradients. Unresolved, probably compact, sources were observed at S106 and ON 2 and are briefly discussed.

Campbell, M. F.↗

Reduced-order modeling of parameterized multi-group diffusion k-eigenvalue problems

In this paper, a group-wise Reduced-Order Model, based on a Proper Orthogonal Decomposition (POD) technique, is presented for parameterized multi-group diffusion k-eigenvalue problems. The group-wise approach is shown to be more robust than model-order reduction based on monolithic multi-group POD modes. In addition, fewer POD modes are required. The method of snapshots is employed to generate the offline training set. Two Naïve and a Greedy snapshot-generation strategies are compared. The input parameter space is surveyed using Latin Hypercube Sampling techniques. The effectiveness of the group-wise model-order reduction method is demonstrated on two reactor-physics benchmarks, a two-group 3D Pressurized Water Reactor problem with 26 uncertain input parameters and a seven-group UO 2 -MOX fuel 3D mini-core with 287 uncertain input parameters. In both examples the Reduced-Order Models built using the snapshots generated by the Greedy algorithm proved to be slightly better. Model-order reduction yields results that are within 1 pcm of the full-order model, with speed-up factors of about 1000–3000, depending upon the test case.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗