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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 505 records · Page 28

Benchmark Exercise Report for Experimental Study of Bubble Scrubbing in Sodium Pool

Mechanistic source term (MST) analyses are likely to be an important part of advanced reactor licensing applications. For the purpose, an MST analysis code applicable to newly introduced advanced reactors, called SRT (Simplified Radionuclide Transport) code, has been developed by Argonne National Laboratory. SRT can track overall behaviors of radionuclides especially in metal fuel-based sodium fast reactors (SFRs) and microreactors. Throughout the simulation, migration inside fuel pins before failure, interaction with coolant (for SFR), removal/leakage in cover gas and containment (or confinement), and environmental dose impacts are considered alongside radioactive decay for short-lived nuclides. Among the postulated process, pool scrubbing phenomenon, especially under sodium pool condition, has been identified as high importance with limited supportive data. The phenomenon plays a crucial role in assessing the degree of radiological impacts as radioactive aerosols or vapors are efficiently and effectively removed during the process. To provide validation basis for SRT in assessing pool scrubbing performance inside sodium pools, the University of Wisconsin-Madison performed tests including extensive parametric effects. Separate effect tests were conducted to directly evaluate the SRT models and to estimate degree of contribution by each contributing factor. Specifically, bubble size, aerosol size, aerosol density, aerosol concentration, pool depth, system temperature, and bubble swarm effects were considered. According to the parametric effects, decontamination performance enhances with decreasing bubble size, large density, and deeper pool height. Aerosol concentration provides no effect for the whole range of interest, and pool temperature variation shows minor effects under the considered temperature condition. When multiple bubbles are injected generating a bubble swarm condition, DF performance further enhances by bubble interactions and turbulence characteristics. The measurement shows the exceptional importance of aerosol size range considered, with the lowest decontamination, where most radionuclides are expected to escape.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Quick calculation method for fluid flow through duct systems

Conditions for subsonic compressible flow through duct systems are quickly and easily calculated using compact series of curves showing dimensionless parametric functions of Mach number and specific heat ratio. Method is directly applicable to analysis and design of compressible flow systems in industrial fields or processes.

Scott, L. R., Jr.↗

Regenerative life support system research

Sections on modeling, experimental activities during the grant period, and topics under consideration for the future are contained. The sessions contain discussions of: four concurrent modeling approaches that were being integrated near the end of the period (knowledge-based modeling support infrastructure and data base management, object-oriented steady state simulations for three concepts, steady state mass-balance engineering tradeoff studies, and object-oriented time-step, quasidynamic simulations of generic concepts); interdisciplinary research activities, beginning with a discussion of RECON lab development and use, and followed with discussions of waste processing research, algae studies and subsystem modeling, low pressure growth testing of plants, subsystem modeling of plants, control of plant growth using lighting and CO2 supply as variables, search for and development of lunar soil simulants, preliminary design parameters for a lunar base life support system, and research considerations for food processing in space; and appendix materials, including a discussion of the CELSS Conference, detailed analytical equations for mass-balance modeling, plant modeling equations, and parametric data on existing life support systems for use in modeling.

Source record↗

Scattering calculations and confining interactions

Most of the research work performed under this grant were concerned with strong interaction processes ranging from kaon-nucleon interaction to proton-nucleus scattering calculations. Research performed under this grant can be categorized into three groups: (1) parametrization of fundamental interactions, (2) development of formal theory, and (3) calculations based upon the first two. Parametrizations of certain fundamental interactions, such as kaon-nucleon interaction, for example, were necessary because kaon-nucleon scattering amplitude was needed to perform kaon-nucleus scattering calculations. It was possible to calculate kaon-nucleon amplitudes from the first principle, but it was unnecessary for the purpose of the project. Similar work was also done for example for anti-protons and anti-nuclei. Formal developments to some extent were also pursued so that consistent calculations can be done.

Buck, Warren W.↗

Quantified Event Automata: Towards Expressive and Efficient Runtime Monitors

Runtime verification is the process of checking a property on a trace of events produced by the execution of a computational system. Runtime verification techniques have recently focused on parametric specifications where events take data values as parameters. These techniques exist on a spectrum inhabited by both efficient and expressive techniques. These characteristics are usually shown to be conflicting - in state-of-the-art solutions, efficiency is obtained at the cost of loss of expressiveness and vice-versa. To seek a solution to this conflict we explore a new point on the spectrum by defining an alternative runtime verification approach.We introduce a new formalism for concisely capturing expressive specifications with parameters. Our technique is more expressive than the currently most efficient techniques while at the same time allowing for optimizations.

state machines↗

First-Order Runtime Verification using BDDs

Runtime Verification (RV) expedites the analyses of execution traces for detecting system errors and for statistical and quality analysis. Having started modestly, with checking temporal properties that are based on propositional (yes/no) values, the current practice of RV often involves properties that are parametrized by the data observed in the input trace. The specifications are based on various formalisms, such as automata, temporal logics, rule systems, and stream processing. Checking execution traces that are data intensive against a specification that imposes strong dependencies between the data, poses a nontrivial challenges; in particular if runtime verification has to be performed online, while many events that carry data appear within small time proximities. Towards achieving this goal, it was recently suggested to represent relations over the observed data values, based on BDDs, where data elements are enumerated and then converted into bit vectors. This representation provided a very simple and natural extension of an RV algorithm from propositional to first-order LTL, but more importantly, was shown to contribute to the memory compactness and to the speed, as was demonstrated using a corresponding implementation. We extend here the capabilities of BDD-based RV with the ability to express timing constraints, where the monitored events include (integer) clock values. We show how to efficiently operate on BDDs that represent both relations on (enumerations of) values and time dependencies, as required by the addition of the time constraints. We demonstrate our algorithm with an efficient implementation and provide experimental results.

Peled, Doron↗

A simplified integrated framework for predicting the economic impacts of feedstock variations in a catalytic fast pyrolysis conversion process

Feedstock attributes of lignocellulosic biomass, such as particle size, compositional makeup, and moisture content, can vary substantially even within pre-processed materials and have a significant effect on conversion in fast pyrolysis-based processes. However, the economic impacts of these attributes are not well understood. To address this, biomass deconstruction phenomena captured with a versatile particle-scale simulation were linked to techno-economic impacts via reduced-order models. Parametric analysis of the particle-scale model, which was validated using literature data, was used in combination with multiple linear regression models to develop correlations between feedstock attributes and yields of pyrolysis oil, gas, and char. Yields were then correlated with the minimum fuel selling price (MFSP) using a techno-economic model, bridging the gap between physics-based biomass conversion simulations and predictions of MFSP for a catalytic fast-pyrolysis process. Empirical correlations derived from the literature regarding the impact of mineral matter (ash) on oil yield were also considered. The model correlations deployed in the integrated framework capture the impacts of variation in feedstock attributes on the MFSP. Variations in ash were shown to have the biggest impact, varying MFSP by -13%/+22% due to catalytic effects and lower relative amounts of convertible lignocellulosic material. It was also found that, if ash can be controlled to low levels, the increased extractives in forest residues can help compensate for some yield losses associated with increased ash. As a result, other inputs considered (particle size, moisture content, and reactor temperature) had relatively negligible effects on process economics within the ranges analyzed considering particle-scale effects alone.

BIOMASS FUELS↗

Numerical Simulations of a Lobed Fuel Injector

Numerical modeling of the nonreactive mixing processes associated with a lobed fuel injector in a coflowing air stream is presented. The lobed fuel injector is a device which generates strong streamwise vorticity, producing locally high strain rates which can enhance the molecular mixing of reactants while delaying ignition in a controlled manner. Vortex element modeling is used to simulate flow field evolution and fuel element mixing characteristics for this lobed fuel injector. Quantitative predictions for vorticity generation and qualitative results for streamwise rollup compare well qualitatively with recent experimental investigations of this flow field [Smith et al, Phys. Fluids 9, 667 (1997)]. Parametric studies of the effects of lobe amplitude-to-wavelength ratio, lobe angle, and lobe shape for given flow conditions suggest that geometrical features may be optimized to enhance mixing and control reaction processes.

Strickland, J. H.↗

Reliable Real-Time Solution of Parametrized Partial Differential Equations: Reduced-Basis Output Bound Methods

We present a technique for the rapid and reliable prediction of linear-functional outputs of elliptic (and parabolic) partial differential equations with affine parameter dependence. The essential components are (i) (provably) rapidly convergent global reduced basis approximations, Galerkin projection onto a space W(sub N) spanned by solutions of the governing partial differential equation at N selected points in parameter space; (ii) a posteriori error estimation, relaxations of the error-residual equation that provide inexpensive yet sharp and rigorous bounds for the error in the outputs of interest; and (iii) off-line/on-line computational procedures, methods which decouple the generation and projection stages of the approximation process. The operation count for the on-line stage, in which, given a new parameter value, we calculate the output of interest and associated error bound, depends only on N (typically very small) and the parametric complexity of the problem; the method is thus ideally suited for the repeated and rapid evaluations required in the context of parameter estimation, design, optimization, and real-time control.

Prudhomme, C.↗

Verification of a three-dimensional resin transfer molding process simulation model

Experimental evidence was obtained to complete the verification of the parameters needed for input to a three-dimensional finite element model simulating the resin flow and cure through an orthotropic fabric preform. The material characterizations completed include resin kinetics and viscosity models, as well as preform permeability and compaction models. The steady-state and advancing front permeability measurement methods are compared. The results indicate that both methods yield similar permeabilities for a plain weave, bi-axial fiberglass fabric. Also, a method to determine principal directions and permeabilities is discussed and results are shown for a multi-axial warp knit preform. The flow of resin through a blade-stiffened preform was modeled and experiments were completed to verify the results. The predicted inlet pressure was approximately 65% of the measured value. A parametric study was performed to explain differences in measured and predicted flow front advancement and inlet pressures. Furthermore, PR-500 epoxy resin/IM7 8HS carbon fabric flat panels were fabricated by the Resin Transfer Molding process. Tests were completed utilizing both perimeter injection and center-port injection as resin inlet boundary conditions. The mold was instrumented with FDEMS sensors, pressure transducers, and thermocouples to monitor the process conditions. Results include a comparison of predicted and measured inlet pressures and flow front position. For the perimeter injection case, the measured inlet pressure and flow front results compared well to the predicted results. The results of the center-port injection case showed that the predicted inlet pressure was approximately 50% of the measured inlet pressure. Also, measured flow front position data did not agree well with the predicted results. Possible reasons for error include fiber deformation at the resin inlet and a lag in FDEMS sensor wet-out due to low mold pressures.

Fingerson, John C.↗

Catalytic distillation water recovery subsystem

An integrated engineering breadboard subsystem for the recovery of potable water from untreated urine based on the vapor phase catalytic ammonia removal was designed, fabricated and tested. Unlike other evaporative methods, this process catalytically oxidizes ammonia and volatile hydrocarbons vaporizing with water to innocuous products; therefore, no pretreatment of urine is required. Since the subsystem is fabricated from commercially available components, its volume, weight and power requirements are not optimized; however, it is suitable for zero-g operation. The testing program consists of parametric tests, one month of daily tests and a continuous test of 168 hours duration. The recovered water is clear, odorless, low in ammonia and organic carbon, and requires only an adjustment of its pH to meet potable water standards. The obtained data indicate that the vapor phase catalytic ammonia removal process, if further developed, would also be competitive with other water recovery systems in weight, volume and power requirements.

Budininkas, P.↗

DRIPS: A framework for dimension reduction and interpolation in parameter space

Reduced-order models are often used to describe the behavior of complex systems, whose simulation with a full model is too expensive, or to extract salient features from the full model’s output. We introduce a new model-reduction framework DRIPS (dimension reduction and interpolation in parameter space) that combines the offline local model reduction with the online parameter interpolation of reduced-order bases (ROBs). The offline step of this framework relies on dynamic mode decomposition (DMD) to build a low-rank linear surrogate model, equipped with a local ROB, for quantities of interest derived from the training data generated by repeatedly solving the (nonlinear) high-fidelity model for multiple parameter points. The online step consists of the construction of a parametric reduced-order model for each target/test point in the parameter space, with the interpolation of ROBs done on a Grassman manifold and the interpolation of reduced-order operators done on a matrix manifold. The DMD component enables DRIPS to model (typically low-dimensional) quantities of interest directly, without having to access the (typically high-dimensional and possibly nonlinear) operators in a high-fidelity model that governs the dynamics of the underlying high-dimensional state variables, as required in projection-based reduced-order modeling. A series of numerical experiments suggests that DRIPS yields a model reduction, which is computationally more efficient than the commonly used projection-based proper orthogonal decomposition; it does so without requiring a prior knowledge of the governing equation for quantities of interest. Furthermore, for the nonlinear systems considered, DRIPS is more accurate than Gaussian-process interpolation (Kriging).

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multilayered microstructures with shape memory effects for vertical deployment

This paper presents a fabrication and characterization of multilayered microstructures with shape memory effects enabling large vertical deployment under electro-thermal actuation. Our previous research demonstrated vertical deployment of such microstructures by the effect of thermal mismatch. Development of equiatomic NiTi layers in the multilayered microstructure is investigated further for shape memory effects. Multilayered microstructures are built by sputtered NiTi layers and a lift-off process. Negative photoresist ma-N1420 enables clean lift-off of 500 nm thick NiTi layers by forming a significant undercut profile after development. The parametric study on co-sputter powers for Ti and Ni 50 Ti 50 targets suggests that 100 W RF on Ti target and 200 W DC on Ni 50 Ti 50 target can deposit Ni 49.62 Ti 50.38 layers. X-Ray Diffraction (XRD) and Atomic Force Microscopy (AFM) were used to study the crystal structures and surface topography of NiTi layers. XRD results of post-annealed Ni 49.62 Ti 50.38 layers show coexistence of austenite and martensitic phases at room temperature, suggesting that the transformation temperature of such NiTi layers should be approximate 20 °C. The surface topography of Ni 49.62 Ti 50.38 layers reveals substantial increase of surface roughness at ambient conditions after the annealing. Experimental verification of the multilayered microstructure for vertical deployment was carried out by Signatone Probe Station and Dual Scanning Electron Microscope/Focused Ion Beam (SEM/FIB) system. Finally, a vertical deployment of the two-dimensional (2D) multilayered microstructures for three-dimensional (3D) can be detected by applying a constant voltage of 0.04 V, and the expected 3D deployment displacement is enlarged from 2 μm to 10 μm by introducing the shape memory effect.

42 ENGINEERING↗

GrainNN: A neighbor-aware long short-term memory network for predicting microstructure evolution during polycrystalline grain formation

High fidelity simulations of grain formation in alloys are an indispensable tool for process-to-mechanical-properties characterization. Such simulations, however, can be computationally expensive as they require fine spatial and temporal discretizations. Their cost becomes an obstacle to parametric studies and ensemble runs and ultimately makes downstream tasks like optimal control and uncertainty quantification challenging. To enable such downstream tasks, we introduce GrainNN, an efficient and accurate reduced-order model for epitaxial grain growth in additive manufacturing conditions. GrainNN is a sequence-to-sequence long-short-term-memory (LSTM) deep neural network that evolves the dynamics of manually crafted features. Its innovations are (1) an attention mechanism with grain-microstructure-specific transformer architecture; and (2) an overlapping combination of several clones of the network to generalize to grain configurations that are different from those used for training. This design enables GrainNN to predict grain formation for unseen physical parameters, grain number, domain size and geometry. Furthermore, GrainNN not only reconstructs the quantities of interest but also can be pointwise accurate. In our numerical experiments, we use a polycrystalline phase field method to both generate the training data and assess GrainNN. For multiparametric, ensemble simulations with many grains, GrainNN can be orders of magnitude faster than phase field simulations, while delivering 5%–15% pointwise error. Additionally, this speedup includes the cost of the phase field simulations for generating training data.

36 MATERIALS SCIENCE↗

The Role of Subsurface Flow on Evapotranspiration: A Global Sensitivity Analysis

Abstract Water resources are impacted by water‐energy balance fluxes at the land surface, most notably evapotranspiration ( ET ), the largest component of surface energy balance. While integrated hydrologic models show promise in quantifying the nonlinear dynamics at this interface, the model results are plagued by parametric uncertainties. Given the high computational demand of running multiple parameter spaces of these models, little is known about how these uncertainties propagate into land surface processes. In this work, we perform a global sensitivity analysis by computing Sobol and AMAE indices using a surrogate model constructed with a polynomial chaos expansion to assess the impacts of the subsurface physical properties on ET . We do so by modeling a semisynthetic test case. Our results show that the effects of vertical hydraulic conductivity, porosity, and the water retention curve parameter Van Genuchten α mainly control ET . However, we note that while evaporation ( E ) shows behavior similar to the ET with high sensitivity to the parameters controlling the flow in the unsaturated zone, transpiration ( T ) is very sensitive to the saturated zone parameters and groundwater flow, especially during periods without rain. Our results also show that heterogeneities in land cover impact the flow in the saturated zone. Furthermore, our work demonstrates that reduced‐order models can be developed to make integrated models more accessible for rigorous sensitivity analyses and calibration purposes.

Maina, Fadji Zaouna↗

Characterizing uncertainty in Community Land Model version 5 hydrological applications in the United States

Abstract Land surface models such as the Community Land Model Version 5 (CLM5) are essential tools for simulating the behavior of the terrestrial system. Despite the extensive application of CLM5, limited attention has been paid to the underlying uncertainties associated with its hydrological parameters and how these uncertainties affect water resource applications. To address this long-standing issue, we use five meteorological datasets to conduct a comprehensive hydrological parameter uncertainty characterization of CLM5 over the hydroclimatic gradients of the conterminous United States. Key datasets produced from the uncertainty characterization experiment include: a benchmark dataset of CLM5 default hydrological performance, parameter sensitivities for 28 hydrological metrics, and large-ensemble outputs for CLM5 hydrological predictions. The presented datasets will assist CLM5 calibration and support broad applications, such as evaluating drought and flood vulnerabilities. The datasets can be used to identify the hydroclimatological conditions under which parametric uncertainties demonstrate substantial effects on hydrological predictions and clarify where further investigations are needed to understand how hydrological prediction uncertainties interact with other Earth system processes.

54 ENVIRONMENTAL SCIENCES↗

Phase space distribution functions and energy distributions of dark matter particles in haloes

ABSTRACT For a spherical dark matter halo with isotropic velocity distribution, the phase space distribution function (DF), the energy distribution, and the density profile form a set of self-consistent description of its equilibrium state, and knowing one is sufficient to determine the other two. The Navarro–Frenk–White density profile (NFW profile) is known to be a good approximation to the spherically averaged density distribution in simulated haloes. The DARKexp energy distribution is also known to compare well with the simulated energy distribution. We present a quantitative assessment of the NFW and DARKexp fits to the simulated DF and energy distribution for a wide range of haloes in a dark-matter-only simulation from the IllustrisTNG Project. As expected, we find that the NFW fits work well except at low energy when the density at small radii deviates from the NFW profile. Further, the NFW and DARKexp fits have comparable accuracy in the region where both fit well, but the DARKexp fits are better at low energy because they require matching of the central gravitational potential. We also find an approximate relation between the energy scale parametrizing the DARKexp energy distribution and that defined by the characteristic density and radius of the NFW profile. This relation may be linked to the relaxation process during halo formation.

Astronomy & Astrophysics↗

Porting HEP Parameterized Calorimeter Simulation Code to GPUs

The High Energy Physics (HEP) experiments, such as those at the Large Hadron Collider (LHC), traditionally consume large amounts of CPU cycles for detector simulations and data analysis, but rarely use compute accelerators such as GPUs. As the LHC is upgraded to allow for higher luminosity, resulting in much higher data rates, purely relying on CPUs may not provide enough computing power to support the simulation and data analysis needs. As a proof of concept, we investigate the feasibility of porting a HEP parameterized calorimeter simulation code to GPUs. We have chosen to use FastCaloSim, the ATLAS fast parametrized calorimeter simulation. While FastCaloSim is sufficiently fast such that it does not impose a bottleneck in detector simulations overall, significant speed-ups in the processing of large samples can be achieved from GPU parallelization at both the particle (intra-event) and event levels; this is especially beneficial in conditions expected at the high-luminosity LHC, where extremely high per-event particle multiplicities will result from the many simultaneous proton-proton collisions. We report our experience with porting FastCaloSim to NVIDIA GPUs using CUDA. A preliminary Kokkos implementation of FastCaloSim for portability to other parallel architectures is also described.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗