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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2013

Calorimetric, spectroscopic and structural investigations of phase polymorphism in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Part I

Four crystalline phases of the coordination compound [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} are identified by adiabatic calorimetry. Three phase transitions, one at T{sub C3}(IV{yields}III)=30.7 K, the second at T{sub C2}(III{yields}II)=91.7 K (both accompanied by comparable entropy changes 3.0 and 3.1 J K{sup -1} mol{sup -1}, respectively) and the third at T{sub C1}(II{yields}I)=241.6 K (accompanied by an entropy change of 8.1 J K{sup -1} mol{sup -1}) were discovered. X-ray single crystal diffraction (at 293 K) demonstrates that phase I is a highly dynamic disordered cubic phase (Fm3{sup Macron }m, No. 225) with two types of BF{sub 4}{sup -} anions differing in a degree of disorder. In phase II (at 170 K) the structure remains cubic (Ia3{sup Macron }, No. 206), with two different types of cations and four different types of anions. Splitting of certain IR bands connected with NH{sub 3} ligands at the observed phase transitions suggests a lowering of the symmetry of the [Ru(NH{sub 3}){sub 6}]{sup 3+} complex cation. Both NH{sub 3} ligands and BF{sub 4}{sup -} anions perform fast reorientations ({tau}{sub R} Almost-Equal-To 10{sup -12} s), which are significantly slowed down below the phase transition at T{sub C3}. {sup 1}H NMR studies led to estimate the values of the activation energy of NH{sub 3} ligands reorientation in the phases II and I as equal to {approx}8 kJ mol{sup -1}. In phase I the whole hexammineruthenium(III) cations reorientation as a tumbling process can be noticed. The activation energy value of this motion is {approx}24 kJ mol{sup -1}. {sup 19}F NMR studies give the values of the activation energy of BF{sub 4}{sup -} anions reorientation as {approx}6 kJ mol{sup -1}. Above the phase transition temperature half of BF{sub 4}{sup -} anions perform a tumbling motion with E{sub a} Almost-Equal-To 8 kJ mol{sup -1}. - Graphical abstract: A series of complementary methods, such as Adiabatic Calorimetry, Differential Scanning Calorimetry, Fourier Transform-Far and Middle Spectroscopy, proton and fluorine Nuclear Magnetic Resonance and structural methods reveal information about phase transitions in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Highlights: Black-Right-Pointing-Pointer Three novel phase transitions are found in [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3}. Black-Right-Pointing-Pointer The thermodynamic parameters of the phase transitions are derived. Black-Right-Pointing-Pointer The transitions are of order-disorder type. Black-Right-Pointing-Pointer The complex belongs to Fm3{sup Macron }m at 293 K and its symmetry changes to Ia3{sup Macron} at 170 K. Black-Right-Pointing-Pointer [Ru(NH{sub 3}){sub 6}](BF{sub 4}){sub 3} is a highly dynamically disordered crystal.

36 MATERIALS SCIENCE↗
DOE OSTI2012

ON THE EVOLUTIONARY AND PULSATION MASS OF CLASSICAL CEPHEIDS. III. THE CASE OF THE ECLIPSING BINARY CEPHEID CEP0227 IN THE LARGE MAGELLANIC CLOUD

We present a new Bayesian approach to constrain the intrinsic parameters (stellar mass and age) of the eclipsing binary system-CEP0227-in the Large Magellanic Cloud (LMC). We computed several sets of evolutionary models covering a broad range in chemical compositions and in stellar mass. Independent sets of models were also constructed either by neglecting or by including a moderate convective core overshooting ({beta}{sub ov} = 0.2) during central hydrogen-burning phases. Sets of models were also constructed either by neglecting or by assuming a canonical ({eta} = 0.4, 0.8) or an enhanced ({eta} = 4) mass-loss rate. The most probable solutions were computed in three different planes: luminosity-temperature, mass-radius, and gravity-temperature. By using the Bayes factor, we found that the most probable solutions were obtained in the gravity-temperature plane with a Gaussian mass prior distribution. The evolutionary models constructed by assuming a moderate convective core overshooting ({beta}{sub ov} = 0.2) and a canonical mass-loss rate ({eta} = 0.4) give stellar masses for the primary (Cepheid)-M = 4.14{sup +0.04}{sub -0.05} M{sub Sun }-and for the secondary-M = 4.15{sup +0.04}{sub -0.05} M{sub Sun }-that agree at the 1% level with dynamical measurements. Moreover, we found ages for the two components and for the combined system-t = 151{sup +4}{sub -3} Myr-that agree at the 5% level. The solutions based on evolutionary models that neglect the mass loss attain similar parameters, while those ones based on models that either account for an enhanced mass loss or neglect convective core overshooting have lower Bayes factors and larger confidence intervals. The dependence on the mass-loss rate might be the consequence of the crude approximation we use to mimic this phenomenon. By using the isochrone of the most probable solution and a Gaussian prior on the LMC distance, we found a true distance modulus-18.53{sup +0.02}{sub -0.02} mag-and a reddening value-E(B - V) = 0.142{sup +0.005}{sub -0.010} mag-that agree quite well with similar estimates in the literature.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

Influence of stellar multiplicity on planet formation. I. Evidence of suppressed planet formation due to stellar companions within 20 au and validation of four planets from the Kepler multiple planet candidates

The planet occurrence rate for multiple stars is important in two aspects. First, almost half of stellar systems in the solar neighborhood are multiple systems. Second, the comparison of the planet occurrence rate for multiple stars to that for single stars sheds light on the influence of stellar multiplicity on planet formation and evolution. We developed a method of distinguishing planet occurrence rates for single and multiple stars. From a sample of 138 bright (K{sub P} < 13.5) Kepler multi-planet candidate systems, we compared the stellar multiplicity rate of these planet host stars to that of field stars. Using dynamical stability analyses and archival Doppler measurements, we find that the stellar multiplicity rate of planet host stars is significantly lower than field stars for semimajor axes less than 20 AU, suggesting that planet formation and evolution are suppressed by the presence of a close-in companion star at these separations. The influence of stellar multiplicity at larger separations is uncertain because of search incompleteness due to a limited Doppler observation time baseline and a lack of high-resolution imaging observation. We calculated the planet confidence for the sample of multi-planet candidates and find that the planet confidences for KOI 82.01, KOI 115.01, KOI 282.01, and KOI 1781.02 are higher than 99.7% and thus validate the planetary nature of these four planet candidates. This sample of bright Kepler multi-planet candidates with refined stellar and orbital parameters, planet confidence estimation, and nearby stellar companion identification offers a well-characterized sample for future theoretical and observational study.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Evaluation of earthquake stress parameters and its scaling during the 2016-2017 Amatrice-Norcia-Visso sequence -- Part I

The Amatrice–Norcia–Visso sequence is distinguished by complex behaviour that is somewhat atypical of main-shock–aftershock sequences, as there were multiple large main shocks that continued for months. Here, we focus on the Amatrice sequence (main shock 2016 August 24, M w = 5.97) to evaluate the apparent stress values and magnitude-dependent scaling in order to improve our knowledge of processes that control small and large earthquakes within this active region of Italy. Apparent stress is proportional to the ratio of radiated seismic energy and seismic moment, and as such, these stress parameters play an important role in hazard prediction as they have a strong effect on the observed and predicted ground shaking. We analyse 83 events of the sequence from 2016 August 24 to October 16, within a radius of 20 km from the main shock and with an M w ranging between 5.97 and 2.72. Taking advantage of the averaging nature of coda waves, we analyse coda-envelope-based spectral ratios between neighbouring event pairs. We use equations proposed by Walter et al. to consider stable, low-frequency and high-frequency spectral ratio levels which provide measures of the corner frequency and apparent stress ratios of the events within the sequence. The results demonstrate non-self-similar behaviour within the sequence, indicating a change in dynamics between the largest events and the smaller aftershocks. The apparent stress and corner frequency estimates are compared to those obtained by Malagnini and Munafò who utilized hundreds of direct S-wave spectral ratio measurements to obtain their results. Although our analysis is based only on 83 events, our results are in very good agreement, demonstrating once more that the use of coda waves is very stable and provides lower variance measures than those using direct waves. A comparison with recent Central Apennines source scaling models derived from various seismic sequences (1997–1998 Colfiorito, 2002 San Giuliano di Puglia, 2009 L'Aquila) shows that the Amatrice sequence source scaling in this study is well represented by the models proposed by Pacor et al. and Malagnini and Mayeda.

58 GEOSCIENCES↗
DOE OSTI2011

Charm quark system at the physical point of 2+1 flavor lattice QCD

We investigate the charm quark system using the relativistic heavy quark action on 2+1 flavor PACS-CS configurations previously generated on 32{sup 3}x64 lattice. The dynamical up, down, and strange quark masses are set to the physical values by using the technique of reweighting to shift the quark-hopping parameters from the values employed in the configuration generation. At the physical point, the lattice spacing equals a{sup -1}=2.194(10) GeV and the spatial extent L=2.88(1) fm. The charm quark mass is determined by the spin-averaged mass of the 1S charmonium state, from which we obtain m{sub charm}{sup MS}({mu}=m{sub charm}{sup MS})=1.260(1)(6)(35) GeV, where the errors are due to our statistics, scale determination and renormalization factor. An additional systematic error from the heavy quark is of order {alpha}{sub s}{sup 2}f(m{sub Q}a)(a{Lambda}{sub QCD}), f(m{sub Q}a)(a{Lambda}{sub QCD}){sup 2}, which are estimated to be a percent level if the factor f(m{sub Q}a) analytic in m{sub Q}a is of order unity. Our results for the charmed and charmed-strange meson decay constants are f{sub D}=226(6)(1)(5) MeV, f{sub D{sub s}}=257(2)(1)(5) MeV, again up to the heavy quark errors of order {alpha}{sub s}{sup 2}f(m{sub Q}a)(a{Lambda}{sub QCD}), f(m{sub Q}a)(a{Lambda}{sub QCD}){sup 2}. Combined with the CLEO values for the leptonic decay widths, these values yield |V{sub cd}|=0.205(6)(1)(5)(9), |V{sub cs}|=1.00(1)(1)(3)(3), where the last error is because of the experimental uncertainty of the decay widths.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2019

Evaluation of global simulations of aerosol particle and cloud condensation nuclei number, with implications for cloud droplet formation

A total of 16 global chemistry transport models and general circulation models have participated in this study; 14 model shave been evaluated with regard to their ability to reproduce the near-surface observed number concentration of aerosol particles and cloud condensation nuclei (CCN), as well as derived cloud droplet number concentration (CDNC). Model results for the period 2011–2015 are compared with aerosol measurements(aerosol particle number, CCN and aerosol particle composition in the submicron fraction) from nine surface stations located in Europe and Japan.The evaluation focuses on the ability of models to simulate the average across time state in diverse environments and on the seasonal andshort-term variability in the aerosol properties. There is no single model that systematically performs best across all environments represented by the observations. Models tend to underestimate the observed aerosol particle and CCN number concentrations, with average normalized mean bias (NMB) of all models and for all stations, where dataare available, of –24% and –35% for particles with dry diameters <50 and <120 nm, as well as –36% and –34% for CCNat supersaturations of 0.2% and 1.0%, respectively. Yet, they seem to behave differently for particles activating at very low supersaturations (<0.1%) than at higher ones. A total of 15 models have been used to produce ensemble annual median distributions of relevant parameters. The model diversity (defined as the ratio of standard deviation to mean) is up to about 3 for simulated N 3 (number concentration of particles with dry diameters larger than 3 nm) and up to about 1 for simulated CCN in the extra-polar regions. A global mean reduction of a factor of about 2 is found in the model diversity for CCN at a supersaturation of 0.2% (CCN 0.2 ) compared to that for N 3 , maximizing over regions where new particle formation is important. An additional model has been used to investigate potential causes of model diversity in CCN and bias compared to the observations by performing a perturbed parameter ensemble (PPE) accounting for uncertainties in 26 aerosol-related model input parameters. This PPE suggests that biogenic secondary organic aerosol formation and the hygroscopic properties of the organic material are likely to be the major sources of CCN uncertainty in summer, with dry deposition and cloud processing being dominant in winter. Models capture the relative amplitude of the seasonal variability of the aerosol particle number concentration for all studied particle sizes with available observations (dry diameters larger than 50, 80 and 120 nm). The short-term persistence time (on the order of a few days) of CCN concentrations, which is a measure of aerosol dynamic behavior in the models, is underestimated o naverage by the models by 40% during winter and 20% in summer. In contrast to the large spread in simulated aerosol particle and CCN number concentrations, the CDNC derived from simulated CCN spectra is less diverse and in better agreement with CDNC estimates consistently derived from the observations (average NMB –13% and –22% for updraft velocities 0.3 and 0.6m s –1 , respectively). In addition, simulated CDNC is in slightly better agreement with observationally derived values at lower than at higher updraft velocities (index of agreement 0.64 vs. 0.65). The reduced spread of CDNC compared to that of CCN is attributed to the sublinear response of CDNC to aerosol particle number variations and the negative correlation between the sensitivities of CDNC to aerosol particle number concentration( ∂ N d / ∂ N a ) and to updraft velocity ( ∂ N d / ∂ w ). Overall, we find that while CCN is controlled by both aerosol particle number and composition, CDNC is sensitive to CCN at low and moderate CCN concentrations and to the updraft velocity when CCN levels are high. Discrepancies are found in sensitivities ∂ N d / ∂ N a and ∂ N d / ∂ w ; models may be predisposed to be too“aerosol sensitive” or “aerosol insensitive” in aerosol–cloud–climate interaction studies, even if they may capture average droplet numbers well.This is a subtle but profound finding that only the sensitivities can clearly reveal and may explain inter-model biases on the aerosol indirect effect.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Learning an Eddy Viscosity Model Using Shrinkage and Bayesian Calibration: A Jet-in-Crossflow Case Study

In this paper, we demonstrate a statistical procedure for learning a high-order eddy viscosity model (EVM) from experimental data and using it to improve the predictive skill of a Reynolds-averaged Navier–Stokes (RANS) simulator. The method is tested in a three-dimensional (3D), transonic jet-in-crossflow (JIC) configuration. The process starts with a cubic eddy viscosity model (CEVM) developed for incompressible flows. It is fitted to limited experimental JIC data using shrinkage regression. The shrinkage process removes all the terms from the model, except an intercept, a linear term, and a quadratic one involving the square of the vorticity. The shrunk eddy viscosity model is implemented in an RANS simulator and calibrated, using vorticity measurements, to infer three parameters. The calibration is Bayesian and is solved using a Markov chain Monte Carlo (MCMC) method. A 3D probability density distribution for the inferred parameters is constructed, thus quantifying the uncertainty in the estimate. The phenomenal cost of using a 3D flow simulator inside an MCMC loop is mitigated by using surrogate models (“curve-fits”). A support vector machine classifier (SVMC) is used to impose our prior belief regarding parameter values, specifically to exclude nonphysical parameter combinations. The calibrated model is compared, in terms of its predictive skill, to simulations using uncalibrated linear and CEVMs. Finally, we find that the calibrated model, with one quadratic term, is more accurate than the uncalibrated simulator. The model is also checked at a flow condition at which the model was not calibrated.

42 ENGINEERING↗
DOE OSTI2018

Quantum field theory for the chiral clock transition in one spatial dimension

We describe the quantum phase transition in the N-state chiral clock model in spatial dimension d = 1. With couplings chosen to preserve time-reversal and spatial inversion symmetries, such a model is in the universality class of recent experimental studies of the ordering of pumped Rydberg states in a one-dimensional chain of trapped ultracold alkali atoms. For such couplings and N = 3, the clock model is expected to have a direct phase transition from a gapped phase with a broken global Z N symmetry, to a gapped phase with the Z N symmetry restored. The transition has dynamical critical exponent z ≠ 1, and so cannot be described by a relativistic quantum field theory. We use a lattice duality transformation to map the transition onto that of a Bose gas in d = 1, involving the onset of a single-boson condensate in the background of a higher-dimensional N-boson condensate. Here, we present a renormalization group analysis of the strongly coupled field theory for the Bose gas transition in an expansion in 2 – d, with 4 – N chosen to be of order 2 – d. At two-loop order, we find a regime of parameters with a renormalization group fixed point which can describe a direct phase transition. We also present numerical density-matrix renormalization group studies of lattice chiral clock and Bose gas models for N = 3, finding good evidence for a direct phase transition, and obtain estimates for z and the correlation length exponent ν.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Dwarf galaxy dark matter density profiles inferred from stellar and gas kinematics

We present new constraints on the density profiles of dark matter (DM) halos in seven nearby dwarf galaxies from measurements of their integrated stellar light and gas kinematics. The gas kinematics of low-mass galaxies frequently suggest that they contain constant density DM cores, while N-body simulations instead predict a cuspy profile. We present a data set of high-resolution integral-field spectroscopy on seven galaxies and measure the stellar and gas kinematics simultaneously. Using Jeans modeling on our full sample, we examine whether gas kinematics in general produce shallower density profiles than are derived from the stars. Although two of the seven galaxies show some localized differences in their rotation curves between the two tracers, estimates of the central logarithmic slope of the DM density profile, γ, are generally robust. The mean and standard deviation of the logarithmic slope for the population are γ = 0.67 ± 0.10 when measured in the stars and γ = 0.58 ± 0.24 when measured in the gas. We also find that the halos are not under-concentrated at the radii of half their maximum velocities. Finally, we search for correlations of the DM density profile with stellar velocity anisotropy and other baryonic properties. Two popular mechanisms to explain cored DM halos are an exotic DM component or feedback models that strongly couple the energy of supernovae into repeatedly driving out gas and dynamically heating the DM halos. While such models do not yet have falsifiable predictions that we can measure, we investigate correlations that may eventually be used to test models. We do not find a secondary parameter that strongly correlates with the central DM density slope, but we do find some weak correlations. The central DM density slope weakly correlates with the abundance of α elements in the stellar population, anti-correlates with H I fraction, and anti-correlates with vertical orbital anisotropy. We expect, if anything, the opposite of these three trends for feedback models. Determining the importance of these correlations will require further model developments and larger observational samples.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Exploring extreme magnetization phenomena in directly driven imploding cylindrical targets

Abstract This paper uses extended-magnetohydrodynamics (MHD) simulations to explore an extreme magnetized plasma regime realizable by cylindrical implosions on the OMEGA laser facility. This regime is characterized by highly compressed magnetic fields (greater than 10 kT across the fuel), which contain a significant proportion of the implosion energy and induce large electrical currents in the plasma. Parameters governing the different magnetization processes such as Ohmic dissipation and suppression of instabilities by magnetic tension are presented, allowing for optimization of experiments to study specific phenomena. For instance, a dopant added to the target gas-fill can enhance magnetic flux compression while enabling spectroscopic diagnosis of the imploding core. In particular, the use of Ar K-shell spectroscopy is investigated by performing detailed non-LTE atomic kinetics and radiative transfer calculations on the MHD data. Direct measurement of the core electron density and temperature would be possible, allowing for both the impact of magnetization on the final temperature and thermal pressure to be obtained. By assuming the magnetic field is frozen into the plasma motion, which is shown to be a good approximation for highly magnetized implosions, spectroscopic diagnosis could be used to estimate which magnetization processes are ruling the implosion dynamics; for example, a relation is given for inferring whether thermally driven or current-driven transport is dominating.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Design optimization of MR-compatible rotating anode x-ray tubes for stable operation

Purpose: Hybrid x-ray/MR systems can enhance the diagnosis and treatment of endovascular, cardiac, and neurologic disorders by using the complementary advantages of both modalities for image guidance during interventional procedures. Conventional rotating anode x-ray tubes fail near an MR imaging system, since MR fringe fields create eddy currents in the metal rotor which cause a reduction in the rotation speed of the x-ray tube motor. A new x-ray tube motor prototype has been designed and built to be operated close to a magnet. To ensure the stability and safety of the motor operation, dynamic characteristics must be analyzed to identify possible modes of mechanical failure. In this study a 3D finite element method (FEM) model was developed in order to explore possible modifications, and to optimize the motor design. The FEM provides a valuable tool that permits testing and evaluation using numerical simulation instead of building multiple prototypes.Methods: Two experimental approaches were used to measure resonance characteristics: the first obtained the angular speed curves of the x-ray tube motor employing an angle encoder; the second measured the power spectrum using a spectrum analyzer, in which the large amplitude of peaks indicates large vibrations. An estimate of the bearing stiffness is required to generate an accurate FEM model of motor operation. This stiffness depends on both the bearing geometry and adjacent structures (e.g., the number of balls, clearances, preload, etc.) in an assembly, and is therefore unknown. This parameter was set by matching the FEM results to measurements carried out with the anode attached to the motor, and verified by comparing FEM predictions and measurements with the anode removed. The validated FEM model was then used to sweep through design parameters [bearing stiffness (1×10{sup 5}–5×10{sup 7} N/m), shaft diameter (0.372–0.625 in.), rotor diameter (2.4–2.9 in.), and total length of motor (5.66–7.36 in.)] to increase the fundamental frequency past the operating range at 50 Hz.Results: The first large vibration during the prototype motor operation was obtained at 21.64±0.68 Hz in the power spectrum. An abrupt decrease in acceleration occurred at 21.5 Hz due to struggling against the resonance vibrations. A bearing stiffness of 1.2×10{sup 5} N/m in the FEM simulation was used to obtain a critical speed of 21.4 Hz providing 1.1% error. This bearing stiffness value and the 3D model were then confirmed by the experiments with the anode removed, demonstrating an agreement within 6.4% between simulation results and measurements. A calculated first critical frequency (fundamental frequency) of 68.5 Hz was obtained by increasing the bearing stiffness to 1×10{sup 7} N/m and increasing the shaft diameter by 68.0%. Reducing the number of bearings in the design permits decreasing the total length of the motor by 1.7 in., and results in a fundamental frequency of 68.3 Hz in concert with additional changes (shaft diameter of 0.625 in., rotor diameter of 2.4 in., and bearing stiffness of 1×10{sup 6} N/m).Conclusions: An FEM model of the x-ray tube motor has been implemented and experimentally validated. A fundamental frequency above the operational rotation speed can be achieved through modification of multiple design parameters, which allows the motor to operate stably and safely in the MR environment during the repeated acceleration/deceleration cycles required for an interventional procedure. The validated 3D FEM model can now be used to investigate trade-offs between generated torque, maximum speed, and motor inertia to further optimize motor design.

62 RADIOLOGY AND NUCLEAR MEDICINE↗
DOE OSTI2016

Jeans analysis of the galactic thick disk and the local dark matter density

Dynamical estimates of the mass surface density at the solar radius can be made up to a height of 4 kpc using thick disk stars as tracers of the potential. We investigate why different Jeans estimators of the local surface density lead to puzzling and conflicting results. Using the Jeans equations, we compute the vertical (F{sub z}) and radial (F{sub R}) components of the gravitational force, as well as Γ(z), which is defined as Γ≡∂V{sub c}{sup 2}/∂R, with V{sub c}{sup 2}≡−RF{sub R}. If we assume that the thick disk does not flare and that all the components of the velocity dispersion tensor of the thick disk have a uniform radial scalelength of 3.5 kpc, Γ takes implausibly large negative values when using the currently available kinematical data of the thick disk. This implies that the input parameters or the model assumptions must be revised. We have explored, using a simulated thick disk, the impact of the assumption that the scalelengths of the density and velocity dispersions do not depend on the vertical height z above the midplane. In the absence of any information about how these scale radii depend on z, we define a different strategy. By using a parameterized Galactic potential, we find that acceptable fits to F{sub z}, F{sub R}, and Γ are obtained for a flaring thick disk and a spherical dark matter (DM) halo with a local density ≳0.0064 M{sub ⊙} pc{sup −3}. Disk-like DM distributions may be also compatible with the current data of the thick disk. A precise measurement of Γ at the midplane could be very useful for discriminating between models.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

A novel conditional generative model for efficient ensemble forecasts of state variables in large-scale geological carbon storage

Integrating monitoring data to efficiently update reservoir pressure and CO 2 plume distribution forecasts presents a significant challenge in geological carbon storage (GCS) applications. Inverse modeling techniques are commonly used to fuse observational data and refine reservoir model parameters, thereby improving state variable forecasts. However, these techniques often rely on linear or Gaussian assumptions, which can limit their effectiveness in accurately predicting state variables. Moreover, simulating large-scale three-dimensional (3D) GCS problems is computationally expensive, making iterative runs in inverse problems prohibitive. To address these challenges, we propose a conditional generative model utilizing the score-based diffusion method for real-time 3D pressure and saturation field distribution predictions. Our approach involves solving the score function with a mini-batch-based Monte Carlo estimator to generate labeled data. This data is subsequently employed to train a fully connected neural network, enabling it to learn the conditional sample generator within a supervised learning framework. This method enables the rapid generation of a large ensemble of predictions, facilitating comprehensive uncertainty quantification of state variables. Here we applied our method to forecast the dynamic 3D distributions of pressure and saturation fields over a 30-year injection period. The statistical assessment with low root mean square error (RMSE) values demonstrates that our method can accurately predict the spatiotemporal distributions of both pressure and saturation fields. Moreover, the developed conditional generative model shows high computational efficiency by generating 100 ensemble forecasts of 3D state variables in less than 10 min. The consistency between ensemble averages and ground truth values further illustrates the model’s capability to capture state variable dynamics during the CO 2 plume injection process. Notably, the ground truth values fall within the ensemble forecasts, indicating that our uncertainty quantification effectively captures variability and potential noise in the observations. Thus, the developed conditional generative model proves to be a more efficient, accurate, and practical tool for GCS applications, facilitating timely risk analysis and informed decision-making.

58 GEOSCIENCES↗
DOE OSTI2020

ROM-Based Surrogate Systems Modeling of EBR-II

We report the System Analysis Module (SAM), developed and maintained by Argonne National Laboratory, is designed to provide whole-plant transient safety analysis capabilities for a number of advanced non-light water reactors, including sodium-cooled fast reactor (SFR), lead-cooled fast reactor (LFR), and molten salt reactor (MSR)/fluoride-salt-cooled high-temperature reactor (FHR) designs. SAM is primarily constructed as a systems-level analysis tool, with the potential to incorporate reduced order models from three-dimensional computational fluid dynamics (CFD) simulations to improve characterization of complex, multidimensional physics. It is recognized that the computational expense associated with CFD can be intractable for various engineering analyses, such as uncertainty quantification, inference, and design optimization. This paper explores the reducibility of a SAM model using recent advances in randomized linear algebra techniques, which attempt to find recurring patterns in the various realizations generated by a model after randomly perturbing all its input parameters. The reduction is described in terms of fewer degrees of freedom (DOFs), referred to as the active DOFs, for the model variables such as input model parameters and model responses. The results indicate that there is significant room for additional reduction that may be leveraged for additional computational gains when employing SAM for engineering-intensive analyses that require repeated model executions. Different from physics-based reduction approaches, the proposed approach allows one to estimate upper bounds on the reduction errors, which are rigorously developed in this work. Finally, different methods for surrogate model construction, such as regression and neural network-based training, are employed to correlate the input and output active DOFs, which are related back to the original variables using matrix-based linear transformations.

42 ENGINEERING↗
DOE OSTI2023

High-energy neutrino emission from magnetized jets of rapidly rotating protomagnetars

ABSTRACT Relativistic jets originating from protomagnetar central engines can lead to long duration gamma-ray bursts (GRBs) and are considered potential sources of ultra-high-energy cosmic rays and secondary neutrinos. We explore the propagation of such jets through a broad range of progenitors, from stars which have shed their envelopes to supergiants which have not. We use a semi-analytical spin-down model for the strongly magnetized and rapidly rotating protoneutron star (PNS) to investigate the role of central engine properties such as the surface dipole field strength, initial rotation period, and jet opening angle on the interactions and dynamical evolution of the jet-cocoon system. With this model, we determine the properties of the relativistic jet, the mildly relativistic cocoon, and the collimation shock in terms of system parameters such as the time-dependent jet luminosity, injection angle, and density profile of the stellar medium. We also analyse the criteria for a successful jet breakout, the maximum energy that can be deposited into the cocoon by the relativistic jet, and structural stability of the magnetized outflow relative to local instabilities. Lastly, we compute the high-energy neutrino emission as these magnetized outflows burrow through their progenitors. Precursor neutrinos from successful GRB jets are unlikely to be detected by IceCube, which is consistent with the results of previous works. On the other hand, we find that high-energy neutrinos may be produced for extended progenitors like blue and red supergiants, and we estimate the detectability of neutrinos with next generation detectors such as IceCube-Gen2.

Astronomy & Astrophysics↗
DOE OSTI2022

Improved evaluation of safeguards parameters from spent fuel measurements with the Differential Die-Away (DDA) instrument

The Differential Die-Away (DDA) technique is a highly sensitive non-destructive assay method for characterizing and detecting the presence of fissile material within an item of interest. DDA utilizes a series of pulses from a neutron generator (NG) to actively interrogate an item of interest. The die-away time of the neutron population induced by this active interrogation and the integral of the total differential die-away signal can be used to characterize items such as nuclear waste drums and spent nuclear fuel assemblies. In this work, Los Alamos National Laboratory (LANL) conceptualized, designed, and fabricated a DDA instrument that was deployed for field test measurements at the Central Interim Storage Facility for Spent Nuclear Fuel (Clab) in Oskarshamn, Sweden. The instrument performed multiple static measurements at fixed locations and dynamic axial scans of 15 pressurized water reactor (PWR) and 10 boiling water reactor (BWR) spent fuel assemblies, collecting both passive and active measurement data. The static assays of the assemblies measured the differential die-away signal, die-away time, and total passive neutron emission rate to create calibration curves for the evaluation of assembly multiplication, burnup, initial enrichment, effective fissile mass, and total elemental plutonium mass. Each calibration curve was optimized by minimizing the relative root mean square error (RRMSE) of assembly assay results compared to declared assembly parameters. The same quantities were also measured with the axial scans, and the resulting data were applied in two ways: (1) in the creation of calibration curves to improve evaluation of the same safeguards parameters as static assays, and (2) for comparison to simulation. In most cases, across both PWR and BWR assemblies, axial scan data improved the estimation of the above parameters, quantified by decreasing the calibration curve RRMSE. These axial scan results demonstrate the ability of the DDA instrument and analysis method to characterize spent PWR and BWR fuel as well as, or better than, a static assay of the same assembly. Furthermore, the DDA instrument’s unique ability to obtain both active and passive data in a single, axial scan of an entire spent fuel assembly represents a more efficient and accurate way of assaying spent fuel for verification purposes. These results represent a significant advancement for characterizing spent nuclear fuel compared to current technologies.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

The coyote universe extended: Precision emulation of the matter power spectrum

Modern sky surveys are returning precision measurements of cosmological statistics such as weak lensing shear correlations, the distribution of galaxies, and cluster abundance. To fully exploit these observations, theorists must provide predictions that are at least as accurate as the measurements, as well as robust estimates of systematic errors that are inherent to the modeling process. In the nonlinear regime of structure formation, this challenge can only be overcome by developing a large-scale, multi-physics simulation capability covering a range of cosmological models and astrophysical processes. As a first step to achieving this goal, we have recently developed a prediction scheme for the matter power spectrum (a so-called emulator), accurate at the 1% level out to k ∼ 1 Mpc{sup –1} and z = 1 for wCDM cosmologies based on a set of high-accuracy N-body simulations. It is highly desirable to increase the range in both redshift and wavenumber and to extend the reach in cosmological parameter space. To make progress in this direction, while minimizing computational cost, we present a strategy that maximally reuses the original simulations. We demonstrate improvement over the original spatial dynamic range by an order of magnitude, reaching k ∼ 10 h Mpc{sup –1}, a four-fold increase in redshift coverage, to z = 4, and now include the Hubble parameter as a new independent variable. To further the range in k and z, a new set of nested simulations run at modest cost is added to the original set. The extension in h is performed by including perturbation theory results within a multi-scale procedure for building the emulator. This economical methodology still gives excellent error control, ∼5% near the edges of the domain of applicability of the emulator. A public domain code for the new emulator is released as part of the work presented in this paper.

79 ASTRONOMY AND ASTROPHYSICS↗