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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 OSTI2024

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

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

36 MATERIALS SCIENCE↗
DOE OSTI2020

Fast collective neutrino oscillations inside the neutrino sphere in core-collapse supernovae

Neutrinos are believed to have a key role in the explosion mechanism of core-collapse supernovae as they carry most of the energy released by the gravitational collapse of a massive star. If their flavor is converted fast inside the neutrino sphere, the supernova explosion may be influenced. This paper is reporting the results of the extended work of our previous paper. Here, we perform a thorough survey of the electron lepton number (ELN) crossing in one of our self-consistent, realistic Boltzmann simulations in two spatial dimensions under axisymmetry for the existence of the crossings between $ν_e$ and $\bar{ν}_e$ angular distributions, or the ELN crossing. We report for the first time the positive detections deep inside the core of the massive star in the vicinity of neutrino sphere at $\textit{r}$ ≈ 16 – 21 km . We find that low values of the electron fraction $Y_e$ produced by convective motions together with the appearance of light elements are critically important to give rise to the ELN crossing by enhancing the chemical potential difference between proton and neutron, and hence by mitigating the Fermi-degeneracy of $ν_e$. Since the region of positive detection are sustained and, in fact, expanding with time, it may have an impact on the explosion of core-collapse supernovae, observational neutrino astronomy, and nucleosynthesis of heavy nuclei.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

Precision spectroscopy of fast, hot, exotic isotopes using machine-learning-assisted event-by-event Doppler correction

We propose an experimental scheme for performing sensitive, high-precision laser spectroscopy studies on fast exotic isotopes. By inducing a stepwise resonant ionization of the atoms traveling inside an electric field and subsequently detecting the ion and the corresponding electron, time-, and position-sensitive measurements of the resulting particles can be performed. Using a mixture density network, we can leverage this information to predict the initial energy of individual atoms and thus apply a Doppler correction of the observed transition frequencies on an event-by-event basis. We conduct numerical simulations of the proposed experimental scheme and show that kHz-level uncertainties can be achieved for ion beams produced at extreme temperatures ( > 10 8 K), with energy spreads as large as 10 keV and nonuniform velocity distributions. The ability to perform in-flight spectroscopy, directly on highly energetic beams, offers unique opportunities to study short-lived isotopes with lifetimes in the millisecond range and below, produced in low quantities, in hot and highly contaminated environments, without the need for cooling techniques. Such species are of marked interest for nuclear structure, astrophysics, and new physics searches. Published by the American Physical Society 2024

Udrescu, S. M. (ORCID:000000021989576X)↗
DOE OSTI2021

Stabilization of the 81-channel coherent beam combination using machine learning

We develop a rapidly converging algorithm for stabilizing a large channel-count diffractive optical coherent beam combination. An 81-beam combiner is controlled by a novel, machine-learning based, iterative method to correct the optical phases, operating on an experimentally calibrated numerical model. A neural-network is trained to detect phase errors based on interference pattern recognition of uncombined beams adjacent to the combined one. Due to the non-uniqueness of solutions in the full space of possible phases, the network is trained within a limited phase perturbation/error range. This also reduces the number of samples needed for training. Simulations have proven that the network can converge in one step for small phase perturbations. When the trained neural-network is applied to a realistic case of 360 degree full range, an iterative scheme exploits random walking at the beginning, with the accuracy of prediction on phase feedback direction, to allow the neural-network to step into the training range for fast convergence. This neural-network-based iterative method of phase detection works tens of times faster than the commonly used stochastic parallel gradient descent approach (SPGD) using a single-detector and random dither when both are tested with random phase perturbations.

Wang, Dan↗
DOE OSTI2021

Godiva Experiments for the Nuclear Criticality Safety Program (NCSP)

Godiva IV is a fast burst critical assembly constructed of approximately 65 kg of highly enriched uranium (HEU) fuel alloyed with 1.5 percent molybdenum for strength. Godiva is one of the last such critical assemblies in the United States, and can be used for studies of super-prompt critical behavior as well as irradiations and demonstrations. A demonstration of a Godiva burst is usually performed as a highlight of the hands-on portion of the Criticality Safety Training Classes taught at the National Criticality Experiment Research Center (NCERC). The Godiva burst is used to demonstrate the concept of super-prompt critical and the time-scale of a criticality accident. In addition, several NCSP projects have been conducted on Godiva IV over the past two years. One experiment focused on collecting data to support multiphysics simulations using Photo-Doppler Velocimetry (PDV) to measure surface movement and gamma detectors to measure the burst output as the burst develops from background to peak over ten orders of magnitude. Another experiment was performed to demonstrate the functionality of the Criticality Accident Alarm System (CAAS) system developed for installation in the Y-12 Uranium Processing Facility (UPF). The system must not only respond to a criticality event and alarm, but must also be shown to operate in a high dose environment.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2025

Multi-modal characterization of the B2 phase in the Ta-Re binary system

The energy and transportation industries demand materials that retain their mechanical property at high temperatures. Refractory complex concentrated alloys (RCCAs) with a BCC + B2 microstructure offer a potential solution, where maintaining the high temperature mechanical properties can be achieved by precipitation strengthening. This depends on the B2 phase in RCCAs being thermodynamically stable with a high solvus temperature. Recently, we predicted the high temperature stability of the B2 structure in the Ta-Re binary system, using density functional theory. Here, in this study, we provide experimental evidence for the existence of this phase for the first time, using a Ta 65 Re 35 alloy. Despite Ta-Re binary phase diagrams predicting a single-phase BCC microstructure for Ta 65 Re 35 , we show that a high Z nanoscale secondary phase appears after heat treatment at 1550 °C and 1100 °C. Scanning transmission electron microscopy (STEM) revealed that this phase has a cubic structure and is equiatomic TaRe though B2 superlattice reflections were absent in fast Fourier transforms (FFT) and diffraction patterns (DPs). DP simulations indicate that the B2 TaRe superlattice reflections are up to two orders of magnitude weaker than their fundamental reflections, making their detection challenging via electron microscopy. Neutron diffraction confirmed the second phase had a B2 structure. This study identified a previously unobserved high temperature stable B2 phase in the Ta-Re system, enabling the development of new high temperature BCC + B2 RCCAs.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Cuboidal Liquid Crystal Phases Under Multiaxial Geometrical Frustration.

Cuboidal liquid crystal phases - the so-called blue phases - consist of a network of topological defects arranged into a cubic symmetry. They exhibit striking optical properties, including Bragg reflection in the visible range and fast response times. Confining surfaces can interfere with the packing of such a network, leading to structures that have not been explored before. In this work, a Landau-de Gennes free energy formalism for the tensor alignment field Q is used to investigate the behavior of chiral liquid crystals under non-isotropic confinement. The underlying free energy functional is solved by relying on a Monte Carlo method that facilitates efficient exploration of configuration space. The results of simulations are expressed in terms of phase diagrams as a function of chirality and temperature for three families of spheroids: oblate, spherical, and prolate. Upon deformation, blue phases adapt and transform to accommodate the geometrical constraints, thereby resulting in a wider range of thermal stability. For oblate spheroids, confinement interferes with the development of a full blue phase structure, resulting on a combination of half skyrmions. For prolate spheroids, the blue phases are hybridized and exhibit features of blue phases I and II. More generally, it is shown that mechanical deformation provides an effective means to control, manipulate and stabilize blue phases and cholesterics confined in tactoids.

Palacio-Betancur, Viviana↗
DOE OSTI2025

Computationally efficient subglacial drainage modelling using Gaussian process emulators: GlaDS-GP v1.0

Subglacial drainage models represent water flow at the ice–bed interface through coupled distributed and channelized systems to determine water pressure, discharge, and drainage system geometry. While they are used to understand processes such as the relationship between surface melt and ice flow, the number of uncertain model parameters and the computational cost of running models makes it difficult to adequately explore the high-dimensional parameter space and evaluate uncertainty in model predictions. Here, we develop Gaussian process (GP) emulators that make fast predictions with associated uncertainty of subglacial drainage model outputs. Using a truncated principal component (PC) basis representation, we construct a GP emulator for diurnally averaged subglacial water pressure. We also explore emulation of scalar variables describing drainage efficiency and configuration. We train the emulators using ensembles of up to 512 simulations varying eight parameters of the Glacier Drainage System (GlaDS) model on a synthetic domain intended to represent an ice-sheet margin. The emulators make predictions ∼ 1000 times faster than GlaDS simulations, with errors <3 % for the water pressure field and ∼ 5 %–9 % for drainage efficiency and configuration. We apply the emulators to explore the eight-dimensional parameter space by computing variance-based parameter sensitivity indices, finding that three parameters (ice flow coefficient, bed bump aspect ratio, and the subglacial cavity system conductivity) explain 90 % of the variance in modelled water pressure in response to parameter changes. The GP emulator approach described here is well suited to integrating observational data with models to make calibrated, credible predictions of subglacial drainage.

58 GEOSCIENCES↗
DOE OSTI2021

Serpent transient analyses of GIACINT geometrical change experiments

This paper simulates seven transient experiments with geometrical movements performed at the GIACINT facility of Belarus. These experiments include three slow control rods insertion in more than 25 s, one fast control rod insertion in less than 1 s, and three water moderator draining transients. In the fast control rod insertion experiment, the control rods are first pushed by a mechanical spring and then let fall by gravity in the assembly. In this experiment, the control rods speed varies because of the initial spring force, the gravitational acceleration, and the water buoyancy force. In all other transient experiments, the geometry change occurs with a constant speed. The Serpent computer program was utilized to simulate these transient experiments with geometrical changes by performing two separate computations. One time-independent computation is performed in criticality mode and the other time-dependent computation is performed in dynamic-source mode. The first computation writes the neutron population and delayed neutron precursors for starting the transient simulation. The second computation divides the transient time into several time bins, reads the two files from the first computation, and updates them at the end of each time bin. The Serpent simulation results obtained for this set of experiments are in good agreement with the time dependent experimental measurements. In addition, Serpent and MCNP simulations results show an excellent agreement for the water moderator transient

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2021

A compact neutron spectrometer system

A portable neutron spectrometer, nSpec, has been developed for passive interrogation of fast neutrons ( 1 MeV) from neutron sources. The design of the system includes four EJ-301 liquid scintillation cells, a custom stand, and tungsten caps for gamma-ray shielding. Data acquisition settings were optimized to provide a dynamic range of up to > 15 MeV neutron energy. Additionally, the detector response matrix was characterized using a time-of-flight method based on gamma-ray tagged neutron emission from 252 Cf. The spectrum unfolding was characterized using measured and simulated spectra of AmBe and 252 Cf with the GRAVEL and MLEM methods. Monte Carlo methods were used to examine the uncertainty propagation and determine sufficient counts for a measurement.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Refined interpretation of electron temperature response to neutral beam injection at DIII-D

Accurate particle and power deposition profiles of neutral beam injection (NBI) are essential to transport studies, and that information is usually acquired through Monte Carlo simulations with a given collisional model. The deposition process of the energetic beam particles leads to the informative electron temperature (T e ) evolution trajectory, which can be captured by electron cyclotron emission (ECE) system due to its good spatial and temporal resolution. Previously, some work has been done to interpret the T e responses to the pulsed NBI as a linear heating source with Fourier-based techniques, although that approach fell short when the fast ion slowing-down time becomes significant (~100 ms). It has been observed in DIII-D that the modulated NBI pulses (10–50 Hz) reduce local core T e values ~0.1 keV through cold electron dilution in high-T e (>2 keV) plasmas alongside accumulative heating. Here, a novel approach to interpret the T e response to NBI was developed by linearizing and modeling the detailed T e evolution trajectory using coherently averaged ECE data based on the different time scales of the terms in the local power and particle balance equations. The technique does not require absolute calibrations of ECE and is independent of collisional models. The resulting beam deposition profiles show good consistency and reasonable agreement with Monte Carlo calculations based on the atomic data from the Atomic Data and Analysis Structure (ADAS). Local electron density response measured by Thomson scattering (TS) also suggests the same features when the beam pulse is large enough for that diagnostic to resolve. The remaining discrepancies are also discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Learning effective physical laws for generating cosmological hydrodynamics with Lagrangian deep learning

The goal of generative models is to learn the intricate relations between the data to create new simulated data, but current approaches fail in very high dimensions. When the true data-generating process is based on physical processes, these impose symmetries and constraints, and the generative model can be created by learning an effective description of the underlying physics, which enables scaling of the generative model to very high dimensions. In this work, we propose Lagrangian deep learning (LDL) for this purpose, applying it to learn outputs of cosmological hydrodynamical simulations. The model uses layers of Lagrangian displacements of particles describing the observables to learn the effective physical laws. The displacements are modeled as the gradient of an effective potential, which explicitly satisfies the translational and rotational invariance. The total number of learned parameters is only of order 10, and they can be viewed as effective theory parameters. Further, we combine N-body solver fast particle mesh (FastPM) with LDL and apply it to a wide range of cosmological outputs, from the dark matter to the stellar maps, gas density, and temperature. The computational cost of LDL is nearly four orders of magnitude lower than that of the full hydrodynamical simulations, yet it outperforms them at the same resolution. We achieve this with only of order 10 layers from the initial conditions to the final output, in contrast to typical cosmological simulations with thousands of time steps. This opens up the possibility of analyzing cosmological observations entirely within this framework, without the need for large dark-matter simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2024

What if GW190425 did not produce a black hole promptly?

ABSTRACT It is widely believed that the binary neutron star merger GW190425 produced a black hole promptly upon merger. Motivated by the potential association with the fast radio burst FRB 20190425A, which took place 2.5 h after the merger, we revisit the question of the outcome of GW190425 by means of numerical relativity simulations. We show that current laboratory and astrophysical constraints on the equation of state of dense matter do not rule out the formation of a long-lived remnant. However, the formation of a stable remnant would have produced a bright kilonova, in tension with upper limits by ZTF at the location and time of FRB 20190425A. Moreover, the ejecta would have been optically thick to radio emission for days to months, preventing a putative FRB from propagating out. The predicted dispersion measure is also several orders of magnitude larger than that observed for FRB 20190425A. Our results indicate that FRB 20190425A and GW190425 are not associated. However, we cannot completely rule out the formation of a long-lived remnant, due to the incomplete coverage of the relevant sky regions. More observations of GW190425-like events, including potential upper limit, have the potential to constrain nuclear physics. To this aim, it is important that follow-up observational campaigns of gravitational wave events are informed by the properties of the source, such as their chirp mass, and we urge the LIGO-Virgo-KAGRA collaboration to promptly release them publicly.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Maximum Power Reference Tracking Algorithm for Power Curtailment of Photovoltaic Systems

This paper presents an algorithm for power curtailment of photovoltaic (PV) systems under fast solar irradiance intermittency. Based on the Perturb and Observe (P&O) technique, the method contains an adaptive gain that is compensated in real-time to account for moments of lower power availability. In addition, an accumulator is added to the calculation of the step size to reduce the overshoot caused by large irradiance swings. A testbed of a three-phase single-stage, 500 kVA PV system is developed on the OPAL-RT eMEGAsim real-time simulator. Field irradiance data and a regulation signal from PJM (RTO) are used to compare the performance of the proposed method with other techniques found in the literature. Results indicate an operation with smaller overshoot, less dc-link voltage oscillations, and improved power reference tracking capability.

Paduani, Victor↗
DOE OSTI2023

Modeling DOE Standard Canister Configurations with Updated Surface Chemistry

Road-ready and final disposition packaging configurations for the advanced test reactor (ATR) fuel currently specifies storage within helium backfilled DOE sealed standard canisters. The aluminum cladding of the ATR fuel contains an oxyhydroxide layer of boehmite/bayerite that generates hydrogen when subjected to irradiation. Understanding the effect of this hydrogen buildup over time to important for long term storage considerations. Previous modeling efforts have built a coupled CFD-chemical model to simulate the temperature gas phase concentrations within the DOE sealed standard canisters. These models have coupled the temperature conditions to both the gas phase radiolysis chemistry and the surface chemistry associated with the oxyhydroxide layer. Continued experimental work has identified trends for aluminum surrogate samples with oxyhydroxide layers for tests done at higher dose rates. At low initial doses a fast generation rate of hydrogen occurs which starts to roll over to a lower generation rate as the total dose applied in increased. A previous study created a small-scale chemical model was built to replicate a mini-canister surrogate system at SRNL as well as for the smaller capsule tests performed at INL. The previous iteration of the model utilized step function for its G-values for the hydrogen generation over a 200-year period. This model makes an update to the surface chemistry to account for theorized surface chemistry reactions allowing for oxygen to remain bounded to the oxyhydroxide layer. As additional experiments continue, the kinetic fits may be adjusted to adapt to new data. Three canister configurations are modeled – the base 18-inch, 15-foot DOR standard canister with 30 ATR fuel elements, an 18-inch, 10-foot DOE standard canister with 32 ATR fuel elements and a 24-inch, 10-foot DOE standard canister with 40 ATR fuel elements. In previous reports, the primary sensitivity of the canister conditions was identified as the decay heat of the fuel and the dried condition of the fuel. Only these parameters are studied in the report. For the nominal case with dried fuel, the hydrogen generation is only about 2%, so it is even less than the flammability limit if it were exposed to oxygen. For the densely packed 18-inch case the total hydrogen concentration is only around 4% with the nominal decay heat. For the densely packed 24-inch case the total hydrogen concentration is only 2.5%, roughly 20% higher than the original packing design, and still under flammability conditions if exposed to oxygen.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2025

Station Impact Analysis 2025

As part of the U.S. DOE EVs@Scale consortium, the NextGen Profiles (NGP) project presents analysis and results from the study of High Power Charging Electric Vehicles and Battery Charging Infrastructure. High Power Charging equipment is capable of recharging electric vehicle traction batteries at power levels of 200KW and above. The intent of the project is to further understand the most recent technological capabilities of the electric mobility industry related to charging performance. The project aims to develop EV, EVSE, and Fleet characterization testing practices and comprehensive analysis with inputs from key industry stakeholders. The results published in this NextGen Profiles project report provide data and insight for use by numerous entities including modeling and simulation organizations, policy makers, fleet planners, industry stakeholders and the general public involved with the development, deployment and operation of electrified transportation technologies. The factors influencing Electric Vehicle (EV) Direct Current Fast Charging (DCFC), including EV battery specifications, temperature effects on lithium-ion battery and power electronics performance, lithium-ion battery SOC bounding and charging station design considerations are specifically investigated to analyze their impacts on charging station operation and recommendations are made to minimize charge station dwell time, reduce charging costs and mitigate electric grid and charge station congestion. Additional high-power charging results are anticipated in future publications in support of the U.S. DOE EVs@Scale consortium NextGen Profiles project.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2021

Information Entropy as Quantifier of Potential Predictability in the Tropical Indo-Pacific Basin

Global warming is posed to modify the modes of variability that control much of the climate predictability at seasonal to interannual scales. The quantification of changes in climate predictability over any given amount of time, however, remains challenging. Here we build upon recent advances in non-linear dynamical systems theory and introduce the climate community to an information entropy quantifier based on recurrence. The entropy, or complexity of a system is associated with microstates that recur over time in the time-series that define the system, and therefore to its predictability potential. A computationally fast method to evaluate the entropy is applied to the investigation of the information entropy of sea surface temperature in the tropical Pacific and Indian Oceans, focusing on boreal fall. In this season the predictability of the basins is controlled by two regularly varying non-linear oscillations, the El Niño-Southern Oscillation and the Indian Ocean Dipole. We compute and compare the entropy in simulations from the CMIP5 catalog from the historical period and RCP8.5 scenario, and in reanalysis datasets. Discrepancies are found between the models and the reanalysis, and no robust changes in predictability can be identified in future projections. The Indian Ocean and the equatorial Pacific emerge as troublesome areas where the modeled entropy differs the most from that of the reanalysis in many models. A brief investigation of the source of the bias points to a poor representation of the ocean mean state and basins' connectivity at the Indonesian Throughflow.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2024

Implicit–explicit multirate infinitesimal stage-restart methods

Implicit–Explicit (IMEX) methods are flexible numerical time integration methods which solve an initial-value problem (IVP) that is split into stiff and nonstiff processes with the goal of lower computational costs than a purely implicit or explicit approach. A complementary form of flexible IVP solvers are multirate infinitesimal methods for problems split into fast- and slow-changing dynamics, that solve a multirate IVP by evolving a sequence of “fast” IVPs using any suitably accurate algorithm. This article introduces a new class of high-order implicit–explicit multirate methods that are designed for multirate IVPs in which the slow-changing dynamics are further split in an IMEX fashion. This new class, which we call implicit–explicit multirate infinitesimal stage-restart (IMEX-MRI-SR), both improves upon the previous implicit–explicit multirate infinitesimal generalized-structure additive Runge Kutta (IMEX-MRI-GARK) methods by allowing for far easier creation of new embedded methods, and extends multirate exponential Runge Kutta (MERK) methods by allowing the fast-changing dynamics to be nonlinear and the methods to be implicit. We leverage GARK theory to derive conditions for orders of accuracy up to four, and we provide second- and third-order accurate example methods, which are the first known embedded MRI methods with IMEX structure. We then perform numerical simulations demonstrating convergence rates and computational performance in both fixed-step and adaptive-step settings.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗