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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Impact of particle loading and phase coupling on gas–solid flow dynamics: A case study of a two-phase, gas–solid flow in an annular pipe

The present study is devoted to a two-phase, gas–solid flow in an annular pipe (hollow cylinder) at an elevated pressure of 15 bars and moderate Reynolds number of circa 6000. The influence of the particle loading, the interaction between the phases, and turbulence dispersion on the flow dynamics is systematically studied by means of computational fluid dynamics simulations, employing the Ansys FLUENT commercial package. The cases with a particle volumetric fraction of 1.2% are referred to as “high particle loading,” and those with 0.13% are denoted as “low particle loading.” The following cases are investigated: (1) pure gas flow; (2) low particle loading two-phase flow with one-way coupling and with turbulence dispersion; (3) low particle loading two-phase flow with two-way coupling but without turbulence dispersion; (4) low particle loading two-phase flow with two-way coupling and with turbulence dispersion; (5) high particle loading two-phase flow with one-way coupling and with turbulence dispersion; (6) high particle loading two-phase flow with two-way coupling but without turbulence dispersion; and (7) high particle loading two-phase flow with two-way coupling and with turbulence dispersion. Additionally, the boundary layer is found to grow without fluctuations of the turbulent kinetic energy (TKE) for cases 1, 2, and 5. For case 4, the TKE fluctuations have been identified, although they appear to be less substantial than those in cases 6 and 7. The authors attribute the semi-chaotic nature of the TKE fluctuations to the particle loading and two-way coupling. In addition, the onset and development of the flow instability have been observed at a random axial distance in cases 4, 6, and 7. Such instability is also attributed to the two-way coupling with turbulence dispersion in the flow. It is concluded that the particle loading, one-way, or two-way coupling between the phases, and the turbulence dispersion models significantly influence the development of the flow dynamics with the same inlet and boundary conditions. Consequently, it is not a trivial question, which result a user should trust. The present computational results inspire to perform verification as well as experimental validation of the simulations, so the simulation results can subsequently be used with confidence for design analysis.

42 ENGINEERING↗
DOE OSTI2021

On closures for reduced order models - A spectrum of first-principle to machine-learned avenues

For over a century, reduced order models (ROMs) have been a fundamental discipline of theoretical fluid mechanics. Early examples include Galerkin models inspired by the Orr–Sommerfeld stability equation and numerous vortex models, of which the von Karman vortex street is one of the most prominent. Subsequent ROMs typically relied on first principles, like mathematical Galerkin models, weakly nonlinear stability theory, and two- and three-dimensional vortex models pioneered the data-driven proper orthogonal decomposition (POD) modeling. In early POD modeling, available data were used to build an optimal basis, which was then utilized in a classical Galerkin procedure to construct the ROM, but data have made a profound impact on ROMs beyond the Galerkin expansion. In this paper, we take a modest step and illustrate the impact of data-driven modeling on one significant ROM area. Specifically, we focus on ROM closures, which are correction terms that are added to the classical ROMs in order to model the effect of the discarded ROM modes in under-resolved simulations. Through simple examples, we illustrate the main modeling principles used to construct the classical ROMs, motivate and introduce modern ROM closures, and show how data-driven modeling, artificial intelligence, and machine learning have changed the standard ROM methodology over the last two decades. Finally, we outline our vision on how the state-of-the-art data-driven modeling can continue to reshape the field of reduced order modeling.

42 ENGINEERING↗
DOE OSTI2022

Toward a machine-guided approach to energetic material discovery

In this article, we trained a machine learning (ML) model to connect microstructural details of an energetic material formulation to its performance for the purpose of guiding the discovery of new explosive formulations. Our hypothesis was that the algorithm would robustly learn the training data and produce an accurate surrogate model. Specifically, the algorithm learned the relationship between details of the void size distribution (VSD), initiating shock pressure, and the energetic material performance. We used realistic constraints on the VSD and a range of cases were ingested by a physically informed reactive flow model working within a hydrodynamic solver running on high-performance computing resources. The ML algorithm produced a surrogate model that accurately predicted known test points around the parameter space. In addition to the utility of the model and the process used for its development, we noted interesting comparisons between what we, the authors—subject matter experts, would heuristically conclude from the training data and the surrogate model predictions. We detected nuanced details that were missed by the surrogate model; however, these details are not important to an energetic material formulator. We concluded that the algorithm did indeed robustly learn the training data and produce an accurate surrogate model. We further concluded that the surrogate model is a powerful tool to guide the formulator in the absence of subject matter experts and limited-access computing resources.

42 ENGINEERING↗
DOE OSTI2025

Predicting the viscoplastic response of a crystallizing fluoropolymer using transient network theory

We employ a molecular theory of dynamic polymer networks to describe the viscoplastic response of rubbery FK-800, a thermoplastic copolymer of chlorotrifluoroethylene and vinylidene fluoride, over a broad range of thermal histories. The kinetics of crystallization at different annealing temperatures was modeled using a modified Avrami equation, whose parameters were found to evolve through simple relationships over the full temperature range of the rubbery state. By fitting experimental compression data, we discovered predictable trends for the physical parameters in our mechanical model over its full range of crystallinities (up to ≈20%) and provided insights based on molecular-level physics to justify them. Using this, an end-to-end model was developed to predict the yielding and post-yield behavior of rubbery FK-800 for arbitrary thermal histories. The model successfully predicted the highly nonlinear evolution of characteristic mechanical signatures (stiffness, yield point, post-yield drop) throughout the crystallization process. A statistical analysis of variance test was employed to determine that the measured variations in the mechanical behavior of rubbery FK-800 are primarily dictated by its fractional crystallinity, regardless of its exact thermal history.

36 MATERIALS SCIENCE↗
DOE OSTI2020

From antiferromagnetic and hidden order to Pauli paramagnetism in U M 2 Si 2 compounds with 5 f electron duality

Using inelastic X-ray scattering beyond the dipole limit and hard X-ray photoelectron spectroscopy we establish the dual nature of the U 5 f electrons in U M 2 Si 2 ( M = Pd, Ni, Ru, Fe), regardless of their degree of delocalization. We have observed that the compounds have in common a local atomic-like state that is well described by the U 5 f 2 configuration with the $Γ^{(1)}_1$ and $Γ_2$ quasi-doublet symmetry. The amount of the U 5 f 3 configuration, however, varies considerably across the U M 2 Si 2 series, indicating an increase of U 5 f itineracy in going from M = Pd to Ni to Ru and to the Fe compound. The identified electronic states explain the formation of the very large ordered magnetic moments in UPd 2 Si 2 and UNi 2 Si 2 , the availability of orbital degrees of freedom needed for the hidden order in URu 2 Si 2 to occur, as well as the appearance of Pauli paramagnetism in UFe 2 Si 2 . A unified and systematic picture of the U M 2 Si 2 compounds may now be drawn, thereby providing suggestions for additional experiments to induce hidden order and/or superconductivity in U compounds with the tetragonal body-centered ThCr 2 Si 2 structure.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Moiréless correlations in ABCA graphene

Atomically thin van der Waals materials stacked with an interlayer twist have proven to be an excellent platform toward achieving gate-tunable correlated phenomena linked to the formation of flat electronic bands. In this work we demonstrate the formation of emergent correlated phases in multilayer rhombohedral graphene––a simple material that also exhibits a flat electronic band edge but without the need of having a moiré superlattice induced by twisted van der Waals layers. We show that two layers of bilayer graphene that are twisted by an arbitrary tiny angle host large (micrometer-scale) regions of uniform rhombohedral four-layer (ABCA) graphene that can be independently studied. Scanning tunneling spectroscopy reveals that ABCA graphene hosts an unprecedentedly sharp van Hove singularity of 3–5-meV half-width. We demonstrate that when this van Hove singularity straddles the Fermi level, a correlated many-body gap emerges with peak-to-peak value of 9.5 meV at charge neutrality. Mean-field theoretical calculations for model with short-ranged interactions indicate that two primary candidates for the appearance of this broken symmetry state are a charge-transfer excitonic insulator and a ferrimagnet. Finally, we show that ABCA graphene hosts surface topological helical edge states at natural interfaces with ABAB graphene which can be turned on and off with gate voltage, implying that small-angle twisted double-bilayer graphene is an ideal programmable topological quantum material.

42 ENGINEERING↗
DOE OSTI2021

Interpretations of ground-state symmetry breaking and strong correlation in wavefunction and density functional theories

Significance The ground state of a quantum mechanical system is the lowest-energy eigenstate of the Hamiltonian. In isolation, it persists unchanged forever, with symmetries dictated by those of the Hamiltonian. But near-eigenstates of broken symmetry can persist for long times, even on the scale of human measurement. The appearance of broken symmetries of the electron density or spin density in a density functional calculation can reveal strong correlations among the electrons that are present in a symmetry-unbroken wavefunction. Symmetry breaking can arise when a wave-like fluctuation drops to zero frequency. The presented examples are the stretched hydrogen molecule, antiferromagnetism in solids, and the static charge-density wave in a low-density jellium, which is shown quantitatively to be a zero-frequency plasma wave.

42 ENGINEERING↗
DOE OSTI2021

Chemically controlled pattern formation in self-oscillating elastic shells

Significance Mechanochemical processes drive various biological functions including morphogenesis and morphological changes in responsive synthetic hydrogels. By allowing reactive components to function in an elastic closed shell, autonomous chemical reactions generate microcompartments capable of expanding or contracting or induce buckled patterns. This capability can drive specific functions such as enhancing the rate of diffusion of compartmentalized chemicals or releasing cargos at specific rates. Here, we demonstrate the coupling of mechanical response to autonomous chemical reactions in elastic shells which swell and deswell to generate specific dynamic patterns and morphologies. The reverse feedback from the mechanical input triggers the chemical reaction. Our work inspires the design of responsive shells to enhance the functionality of microcompartments and nanoreactors.

36 MATERIALS SCIENCE↗
DOE OSTI2021

A Redundancy-Guided Approach for the Hazard Analysis of Digital Instrumentation and Control Systems in Advanced Nuclear Power Plants

We report digital instrumentation and control (I&C) upgrades are a vital research area for the nuclear industry. Despite their performance benefits, deployment of digital I&C in nuclear power plants (NPPs) has been limited. Digital I&C systems exhibit complex failure modes including common cause failures (CCFs), which can be difficult to identify. This paper describes the development of a redundancy-guided application of the Systems-Theoretic Process Analysis and fault tree analysis for the hazard analysis of digital I&C in advanced NPPs. The resulting Redundancy-Guided Systems-Theoretic Hazard Analysis (RESHA) is applied for the case study of a representative state-of-the-art digital reactor trip system. The analysis qualitatively and systematically identifies the most critical CCFs and other hazards of digital I&C systems. Ultimately, the RESHA can help researchers make informed decisions for how, and to what degree, defensive measures such as redundancy, diversity, and defense in depth can be used to mitigate or eliminate the potential hazards of digital I&C systems.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2025

On MCNP Stochastic Volume Estimation Normalization

This paper resolves a perennial point of confusion regarding the source-weighting normalization factor recommended in the MCNP manual (𝜋⁢𝑟 2 ) to stochastically estimate the volume of a region within an enclosing inward-directed spherical surface source with radius 𝑟. The normalization factor arises from the relationship between a sphere’ s mean chord length, its volume, and the values estimated by MCNP track-length tallies. A brief derivation is given that relates these quantities and results in the stated normalization. The correctness of this factor is demonstrated by estimating the volume of a variety of convex and nonconvex volumes. A heuristic demonstration of how biasing the inward-directed source reduces the statistical uncertainty of the stochastic volume estimate is also given, but a rigorous analysis of this improvement is left as future work.

42 ENGINEERING↗
DOE OSTI2026

Deimos: HALEU TRISO Heated Critical Experiment Data

Deimos was the first critical experiment using high-assay low-enriched uranium (HALEU) TRistructural ISOtropic (TRISO) fuel in over 40 years. HALEU TRISO is the desired fuel form for many of the advanced reactor designs in development; however, very little experimental data are available for this fuel type. Deimos was designed to utilize existing HALEU TRISO fuel in a large graphite moderator to obtain nuclear and reactor physics data to fill the gaps surrounding this fuel type and enrichment. In addition to cold critical data, three separate heated experiments were conducted to measure the temperature reactivity coefficient for this type of system. These measured coefficients were then compared to simulated coefficients to a first level order of fidelity. This comparison showed very good agreement for the experiment where only the inner core was heated and good agreement for the other two configurations, which included heating portions of the outer core. Less agreement when the outer core was heated is attributed to potential heating in the beryllium reflector, which has a positive temperature reactivity coefficient and was unaccounted for in the first-order models. Future heated experiments with Deimos will include temperature monitoring of the beryllium reflector to account for beryllium heating in the simulations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2019

Simulation of site and topographic effects on ground motion in Los Alamos, NM mesas

Mesas, which consist of an elevated area of land with a flat top and steep cliffs at the sides, are one of the common geological formations present in the Los Alamos region. Previous research has shown that geological formations such as sedimentary canyons can amplify soil response during earthquakes. There have also been parametric studies to understand the response of an idealized and isolated mountain/canyon under inclined plane waves. In this study, a 2-D linear anelastic soil domain, with topography modelled after the Los Alamos region with many mesas and canyons, is considered to understand site-specific topographic effects in the presence of non-isolated topographical features. Various earthquake sources configurations ranging from point sources to finite faults with varying rupture length, dip angles and spatial slip distributions are considered. To isolate the effect of topography, three other soil domains—a homogeneous half-space, homogeneous half-space with mesas and canyons, and a computational domain with just the soil properties from the Los Alamos region on a flat soil domain is also considered. 2-D site-response analyses of these soil domains under earthquake excitation show that the free-field response of the soil can be amplified or de-amplified depending on the topography of the region and the location of the station relative to the fault. These studies also show that even relatively small mesas with height less than 100 m can significantly amplify the response (by a factor of 2 or more), which differ from the much smaller amplification factors (≤1.2) specified by standard building codes such as Eurocode-8 (2000) for topographical features with a similar slope. De-amplifications are also fairly common, especially close to the canyons. The results from this study agree qualitatively with those from the ambient vibration study conducted by Stolte et al. on a mesa from the Los Alamos region. Furthermore, such site-specific studies provide important insights into the variability of the topographic amplification factors within a region of interest. Such knowledge is important in the design of safety-related critical infrastructure located within that region.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2020

Lagrangian and Eulerian drag models that are consistent between Euler-Lagrange and Euler-Euler (two-fluid) approaches for homogeneous systems

The undisturbed flow of a particle is of fundamental importance since it controls both the undisturbed flow force and the perturbation force (which includes quasisteady, added-mass, and history forces). Here we use the pairwise interaction extended point particle framework to evaluate the undisturbed flow of each particle through superposition of the perturbation flow induced by all its neighbors. This approach allows calculation of various statistics related to undisturbed fluid velocity under conditions of both stationary and nonstationary particles. In a random distribution of stationary particles, while the macroscale undisturbed flow is slowly varying, the microscale undisturbed flow that arises due to the perturbation flow of neighbors varies substantially from one particle to another and this in turn leads to large variation in the hydrodynamic force exerted on the particles. The effect of particle motion is generally to increase the particle-to-particle variation in the undisturbed fluid velocity of the particles. We observe that this increase is greater for the transverse component than for the streamwise component. As a result, with increasing random particle motion, the distribution of undisturbed fluid-velocity fluctuation becomes isotropic. Three different normalized forces are defined: $Φ^L$ is the Lagrangian normalized force on an individual particle suitable for application in a microscale-informed Euler-Lagrange simulation, $Φ^E$ is the Eulerian normalized average force suitable for application in an Euler-Euler simulation, and $Φ^{LE}$ is the Lagrangian normalized force on an individual particle suitable for application in the standard Euler-Lagrange simulation. In this work, we establish precise relations between these different definitions. The drag laws developed based on particle-resolved direct numerical simulation results and experiments are appropriate for application only as the Eulerian normalized average force. We introduce the force consistency relation and use it to obtain an expression for $Φ^L$, which when applied to each particle and averaged over all the particles equals $Φ^E$. The results are first obtained in the limit of stationary particles and then extended to the general case of nonstationary particles.

42 ENGINEERING↗
DOE OSTI2022

Exact Coherent Structures and Phase Space Geometry of Preturbulent 2D Active Nematic Channel Flow

Confined active nematics exhibit rich dynamical behavior, including spontaneous flows, periodic defect dynamics, and chaotic “active turbulence.” Here, we study these phenomena using the framework of exact coherent structures, which has been successful in characterizing the routes to high Reynolds number turbulence of passive fluids. Exact coherent structures are stationary, periodic, quasiperiodic, or traveling wave solutions of the hydrodynamic equations that, together with their invariant manifolds, serve as an organizing template of the dynamics. We compute the dominant exact coherent structures and connecting orbits in a preturbulent active nematic channel flow, which enables a fully nonlinear but highly reduced-order description in terms of a directed graph. Using this reduced representation, we compute instantaneous perturbations that switch the system between disparate spatiotemporal states occupying distant regions of the infinite-dimensional phase space. Overall, our results lay the groundwork for a systematic means of understanding and controlling active nematic flows in the moderate- to high-activity regime.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Three-Wave Mixing Kinetic Inductance Traveling-Wave Amplifier with Near-Quantum-Limited Noise Performance

We present a theoretical model and experimental characterization of a microwave kinetic inductance traveling-wave (KIT) amplifier, whose noise performance, measured by a shot-noise tunnel junction (SNTJ), approaches the quantum limit. Biased with a dc current, this amplifier operates in a three-wave mixing fashion, thereby reducing by several orders of magnitude the power of the microwave pump tone and associated parasitic heating compared to conventional four-wave mixing KIT amplifier devices. It consists of a 50 Ω artificial transmission line whose dispersion allows for a controlled amplification bandwidth. We measure $16.5^{+1}_{–1.3}$ dB of gain across a 2 GHz bandwidth with an input 1 dB compression power of –63 dBm, in qualitative agreement with theory. Using a theoretical framework that accounts for the SNTJ-generated noise entering both the signal and idler ports of the KIT amplifier, we measure the system-added noise of an amplification chain that integrates the KIT amplifier as the first amplifier. This system-added noise, 3.1 ± 0.6 quanta (equivalent to 0.66 ± 0.15 K) between 3.5 and 5.5 GHz, is the one that a device replacing the SNTJ in that chain would see. This KIT amplifier is therefore suitable to read large arrays of microwave kinetic inductance detectors and promising for multiplexed superconducting qubit readout.

42 ENGINEERING↗
DOE OSTI2020

EVOLUTION OF SPACE REACTOR QUALIFICATION METHODS AND A PATH FORWARD FOR NEW SPACE REACTORS UNDER CONSIDERATION

These slides outline the evolution of space reactor system qualifications and provide a potential framework for qualification of current space reactor concepts. Qualification approaches for SNAP 10A, SP-100, TOPAZ II, and Prometheus reactor systems will be discussed. Several qualification approaches from past reactors will be reviewed including: a component qualification approach demonstrated in the SNAP reactor program, a system level approach in the SP-100 program, adding additional features to an existing design in the TOPAZ program, and a combination of a computational and basic testing approach for the Prometheus reactor. Past and present test facilities will also be discussed and the impact of test facility availability (or existence) is discussed. A suggested approach that complies with the updated Presidential Directive (NSPM-20, August 2019) that is derived from previous program approaches will be discussed for qualification of future space reactors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2022

Careers in STEM: A Latina Perspective

Three Latina computing professionals at a large national laboratory reflect on the circumstances affecting the low representation of this segment of the population in STEM fields, and computing in particular. Here, the authors share highlights of their path to STEM careers and some of the efforts they are involved in for broadening participation in computing. They consider the roles of minority serving institutions, representation and mentoring, and advocacy.

99 GENERAL AND MISCELLANEOUS↗