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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 739 records · Page 41
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Data-driven analysis of neutron diffraction line profiles: application to plastically deformed Ta

Abstract Non-destructive evaluation of plastically deformed metals, particularly diffraction line profile analysis (DLPA), is valuable both to estimate dislocation densities and arrangements and to validate microstructure-aware constitutive models. To date, the interpretation of whole line diffraction profiles relies on the use of semi-analytical models such as the extended convolutional multiple whole profile (eCMWP) method. This study introduces and validates two data-driven DLPA models to extract dislocation densities from experimentally gathered whole line diffraction profiles. Using two distinct virtual diffraction models accounting for both strain and instrument induced broadening, a database of virtual diffraction whole line profiles of Ta single crystals is generated using discrete dislocation dynamics. The databases are mined to create Gaussian process regression-based surrogate models, allowing dislocation densities to be extracted from experimental profiles. The method is validated against 11 experimentally gathered whole line diffraction profiles from plastically deformed Ta polycrystals. The newly proposed model predicts dislocation densities consistent with estimates from eCMWP. Advantageously, this data driven LPA model can distinguish broadening originating from the instrument and from the dislocation content even at low dislocation densities. Finally, the data-driven model is used to explore the effect of heterogeneous dislocation densities in microstructures containing grains, which may lead to more accurate data-driven predictions of dislocation density in plastically deformed polycrystals.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Single Crystal Plasticity Model with Deformation Twinning for the High Rate Deformation of β-HMX

Deformation twinning is an active deformation mechanism during loading along certain crystallographic directions of β-cyclotetramethylene tetranitramine (β-HMX). In this work, a finite strain thermomechanical model is extended to include twinning as a deformation mechanism in addition to plastic slip. The stress is derived from the free energy expression including a term representing the equation of state. The crystal plasticity framework is used to divide the total strain into inelastic and elastic component, where the elastic part is used in the expression for the free energy. The twin systems are treated as pseudo slip systems and the shear rate on the twin systems is evaluated in terms of the twin resistance and the projection of the stress tensor. The model parameters were calibrated against a set of plate impact experiments performed on β-HMX by Dick et al. The remaining plate impact experiments are used to evaluate the predictive capability of the model. The quality of the model fits and predictions is discussed from a physical and modeling perspective. Particularly, the role of twin modeling on results is highlighted. Finally, the model is used to explore the relationship between the propensity for twinning and crystal orientation.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Shocked silica aerogel radiance transition

Silica (SiO 2 ) aerogel is widely used in high-energy-density shock experiments due to its low and adjustable density. Reported here are measurements of the shock velocity, optical radiance, and reflectivity of shocked SiO 2 aerogel with initial densities of 0.1, 0.2, and 0.3 g/cm 3 . These results are compared with similar data from three solid polymorphs of SiO 2 , silica, quartz, and stishovite with initial densities 2.2, 2.65, and 4.3 g/cm 3 , respectively. Interestingly, below a brightness temperature of T bright ≈ 35,000 K, the slope of the radiance vs shock velocity is the same for each of the SiO 2 aerogels and solid polymorphs. At T bright ≈ 35000 K, there is an abrupt change in the radiance vs shock velocity slope for aerogels, but not seen in the solid polymorphs over the pressures and temperatures explored here. An empirical model of shock front radiance as a function of SiO 2 density and laser drive parameters is reported to aid in the design of experiments requiring maximum shock front radiance.

42 ENGINEERING↗
DOE OSTI2024

Ultrafast x-ray scattering and electronic coherence at avoided crossings: complete isotropic signals

Abstract Nonadiabatic transitions at conical intersections and avoided crossings play a pivotal role in shaping the outcomes of photochemical reactions. Using the photodissociation of LiF as a model, this theoretical study explores the application of gas phase nonresonant ultrafast x-ray scattering to map nonadiabatic transitions at an avoided crossing, utilizing the part of the scattering signal that probes electronic coherence directly. The presented scattering signals are rotationally averaged and calculated from two- rather than one-electron (transition) densities, which inherently accounts for all possible electronic transitions driven by the x-ray photon. This approach provides quantitative predictions of the experimental signals, thereby facilitating future experimental endeavors to observe nonadiabatic effects and coherent electron dynamics with ultrafast x-ray scattering.

Optics↗
DOE OSTI2026

Active learning of a crystal plasticity flow rule from discrete dislocation dynamics simulations

Continuum-scale material deformation models, such as crystal plasticity (CP), can significantly enhance their predictive accuracy by incorporating input from lower-scale (i.e. mesoscale) models. The procedure to generate and extract the relevant information is however typically complex and ad hoc, involving decision and intervention by domain experts, leading to long development times. In this study, we develop a principled approach for calibration of continuum-scale models using lower scale information by representing a CP flow rule as a Gaussian process model. This representation allows for efficient parameter space exploration, guided by the uncertainty embedded in the model through a process known as Bayesian optimization (BO). We demonstrate a semi-autonomous BO loop which instantiates discrete dislocation dynamics simulations whose initial conditions are automatically chosen to optimize the uncertainty of a model CP flow rule. Our self-guided computational pipeline efficiently generated a dataset and corresponding model whose error, uncertainty, and physical feature sensitivities were validated with comparison to an independent dataset four times larger, demonstrating a valuable and efficient active learning implementation readily transferable to similar material systems.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Automated experimental design of safe rampdowns via probabilistic machine learning

Abstract Typically the rampdown phase of a shot consists of a decrease in current and injected power and optionally a change in shape, but there is considerable flexibility in the rate, sequencing, and duration of these changes. On the next generation of tokamaks it is essential that this is done safely as the device could be damaged by the stored thermal and electromagnetic energy present in the plasma. This works presents a procedure for automatically choosing experimental rampdown designs to rapidly converge to an effective rampdown trajectory. This procedure uses probabilistic machine learning methods paired with acquisition functions taken from Bayesian optimization. In a set of 2022 experiments at DIII-D, the rampdown designs produced by our method maintained plasma control down to substantially lower current and energy levels than are typically observed. The actions predicted by the model significantly improved as the model was able to explore over the course of the experimental campaign.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Power and particle exhaust in the ST-E1 fusion power plant

Power exhaust challenges and potential solutions for a 5 m major radius, low-aspect ratio burning tokamak have been explored. 1D edge plasma models have been used to screen for access to detachment using short and long outer divertor legs in double and single null configurations, using Ar as the primary impurity and assuming tungsten plasma-facing components (PFCs). These show that detachment access can be accessed for all but the most conservative assumptions on scrape-off layer (SOL) width and power, but that trade-offs will be required between magnet engineering and the size of the acceptable window of as-yet uncertain plasma parameters. SOLPS-ITER was used to further model selected plasma scenarios, confirming that Ar seeding can be used to achieve dissipative divertor scenarios with peak deposited heat fluxes below 15 MWm -2 . Initial scoping of first wall loads and positioning of limiters has been carried out, showing the feasibility of protecting the breeding blanket wall during steady state without impeding tritium breeding. Initial PFC technology selection is also presented, identifying this as a critical area where further work is needed to find an attractive solution for helium-cooled PFCs that can handle high heat fluxes without excessive power requirements. Key questions and trade-offs for concept development have been identified, including: how to achieve high radiation for reduction of SOL power without core performance degradation; whether power exhaust can be well-controlled in a double null plasma; mechanical design and materials challenges of high-heat flux PFCs; and control of material erosion, redeposition and tritium retention.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2021

Transient quasi-periodic oscillations at γ-rays in the TeV blazar PKS 1510-089

ABSTRACT We present periodicity search analyses on the γ-ray light curve of the TeV blazar PKS 1510-089 observed by the Fermi Large Area Telescope. We report the detection of two transient quasi-periodic oscillations: A 3.6-d QPO during the outburst in 2009 that lasted five cycles (MJD 54906–54923); and a periodicity of 92 d spanning over 650 d from 2018 to 2020 (MJD 58200–58850), which lasted for seven cycles. We employed the Lomb–Scargle periodogram, Weighted Wavelet Z-transform, redfit, and the Monte Carlo light-curve simulation techniques to find any periodicity and the corresponding significance. The 3.6-d QPO was detected at a moderate significance of ∼3.5σ, while the detection significance of the 92-d QPO was ∼7.0σ. We explore a few physical models for such transient QPOs including a binary black hole system, precession of the jet, a non-axisymmetric instability rotating around the central black hole near the innermost stable circular orbit, the presence of quasi-equidistant magnetic islands inside the jet, and a geometric model involving a plasma blob moving helically inside a curved jet.

Roy, Abhradeep (ORCID:0000000249984560)↗
DOE OSTI2020

Time scales for nonlinear processes in preheating after multifield inflation with nonminimal couplings

We have conducted extensive lattice simulations to study the postinflation dynamics of multifield models involving nonminimal couplings. In this work, we explore the parameter dependence of preheating in these models and describe the various time scales that control such nonlinear processes as energy transfer, rescattering, and the approach to radiation domination and thermalization. In the limit of large nonminimal couplings ($ξ_I$ ~ 100), we find that efficient transfer of energy from the inflaton condensate to radiative degrees of freedom, emergence of a radiation-dominated equation of state, and the onset of thermalization each consistently occur within $N_{\text{reh}} ≲ 3 e$-folds after the end of inflation, largely independent of the values of the other couplings in the models. The exception is the case of negative ellipticity, in which there is a misalignment between the dominant direction in field space along which the system evolves and the larger of the nonminimal couplings $ξ_I$. In those cases, the field-space-driven parametric resonance is effectively shut off. More generally, the competition between the scalar fields’ potential and the field-space manifold structure can yield interesting phenomena such as two-stage resonances. Across many regions of parameter space, we find efficient re-scattering between the distinct fields, leading to a partial memory loss of the shape of the initial fluctuation spectrum. Despite the explosive particle production, which can lead to a quick depletion of the background energy density, the nonlinear processes do not induce any superhorizon correlations after the end of inflation in these models, which keeps predictions for cosmic microwave background observables unaffected by the late-time amplification of isocurvature fluctuations. Hence the excellent agreement between primordial observables and recent observations is preserved for this class of models, even when we consider postinflation dynamics.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Simulating and benchmarking neutron total scattering instrumentation from inception of events to reduced and fitted data

In the design and realization of modern neutron scattering instrumentation, particularly when designing beamline concepts from the ground up, it is desirable to fully benchmark against realistically simulated data. This is especially true for total scattering beamlines, where the future deliverable data is to be analysed in both reciprocal- and real-space representations, and needs must be carefully balanced to ensure sufficient range, resolution and flux of the instrument. An approach to optimize the design of neutron scattering instrumentation via a workflow including ray-tracing simulations, event-based data reduction, heuristic analysis and fitting against realistically simulated spectra is demonstrated here. The case of the DISCOVER beamline concept at the Spallation Neutron Source is used as an example. The results of the calculations are benchmarked through simulation of existing instrumentation and subsequent direct comparison with measured data. Finally, on the basis of the validated models, the ability to explore design characteristics for future beamline concepts or future instrument improvements is demonstrated through the examples of detector tube size and detector layout.

47 OTHER INSTRUMENTATION↗
DOE OSTI2020

Analysis of Double-Output CLL Resonant Converter for All-Electric UAV Applications

This paper presents a double-output resonant converter with high-frequency isolation for unmanned aerial vehicle (UAV) applications. The proposed topology is developed by using a full-bridge resonant inverter and double-output half-bridge active rectifiers. For the control system, a phase-shifted pulse width modulation (PS-PWM) method is utilized to adjusts the power flow among the output rectifiers in a wide voltage range regulation with a central control. The theoretical analysis of the converter is explored using the system model under different load conditions with constant frequency. The proposed system is validated with experimental results using 60 V input source and generating 0 - 100 V in each output at a full power of 500 W with 96% maximum efficiency in the laboratory experimental setup.

Asa, Erdem↗
DOE OSTI2020

Controllable Solar Flux Heating for Freeze Recovery in Molten Salt Parabolic Trough Collectors

In molten-salt parabolic trough plants, the melting process is particularly important for freeze recovery of salt that is solidified in a collector loop, should such an event occur. Currently impedance heating is expected for freeze recovery of the collector loops, but this method can be expensive. Here, a lower-cost alternative is proposed to use controllable concentrated solar flux directly from the parabolic mirrors to thaw salt that is frozen in the collector. A computational fluid dynamics model was developed to explore the solidification and melting processes of molten salt in a parabolic trough receiver and to assess the viability of this concept. Results indicate that concentrated solar heating has the potential to melt frozen salt in 5.6 h, compared to that in 8.8 h for a 300 W m –1 impedance heating system. At the same time, controllable solar flux heating introduces nonuniform solar fluxes on the receiver surface, which can induce significant thermal stress on the receiver tube. A preliminary stress analysis indicates that the temperature difference across the receiver tube should be maintained below about 70 °C for heating up to 300 °C at internal pressures ≤10 bar. At these conditions, freeze recovery using solar flux heating will not significantly affect receiver lifetime. These results suggest that controllable solar flux heating could effectively supplement or replace impedance heating in the freeze recovery system. Incorporating this methodology in future parabolic trough concentrating solar power plants is an opportunity for capital and operational cost-savings.

14 SOLAR ENERGY↗
DOE OSTI2025

Modeling the Nucleation and Growth of Lead Sulfate Particles on Lead Electrodes

Lead-acid batteries (LABs) play a pivotal role in the energy storage sector with applications spanning from starting-lighting-ignition batteries to grid energy storage. Passivation of lead negative electrodes by PbSO 4 particles is a fundamental mechanism limiting the performance of LAB. In this regard, an electrochemical model is developed that simulates the nucleation and growth (N&G) dynamics of PbSO 4 particles on a flat lead electrode, responsible for its passivation. The model considers the electrochemical reactions between lead electrode and sulfuric acid, N&G of PbSO 4 particles, passivation of the lead surface, and the ternary transport of PbSO 4 (aq), bisulfate, and protons in H 2 SO 4 electrolyte. The model is validated with a dataset of cyclic voltammetry (CV) responses collected at several scan rates and H 2 SO 4 concentrations. The model shows remarkable qualitative and quantitative agreement with the experimental data including CV peak features, discharge capacity, and particle size. The model was employed to explore key N&G quantities, such as supersaturation, nucleation rate, particle count, growth rate, particle size, and surface coverage, and to examine how their interactions influence electrode utilization. Parametric studies were also conducted to evaluate how scan rates and acid concentrations influence the previously mentioned N&G quantities and, subsequently, the utilization of the electrode.

25 ENERGY STORAGE↗
DOE OSTI2025

Studying Aerosol, Clouds, and Air Quality in the Coastal Urban Environment of Southeastern Texas

A multi-agency succession of field campaigns was conducted in southeastern Texas during July 2021 through October 2022 to study the complex interactions of aerosols, clouds and air pollution in the coastal urban environment. As part of the Tracking Aerosol Convection interactions Experiment (TRACER), the TRACER- Air Quality (TAQ) campaign the Experiment of Sea Breeze Convection, Aerosols, Precipitation and Environment (ESCAPE) and the Convective Cloud Urban Boundary Layer Experiment (CUBE), a combination of ground-based supersites and mobile laboratories, shipborne measurements and aircraft-based instrumentation were deployed. These diverse platforms collected high-resolution data to characterize the aerosol microphysics and chemistry, cloud and precipitation micro- and macro-physical properties, environmental thermodynamics and air quality-relevant constituents that are being used in follow-on analysis and modeling activities. We present the overall deployment setups, a summary of the campaign conditions and a sampling of early research results related to: (a) aerosol precursors in the urban environment, (b) influences of local meteorology on air pollution, (c) detailed observations of the sea breeze circulation, (d) retrieved supersaturation in convective updrafts, (e) characterizing the convective updraft lifecycle, (f) variability in lightning characteristics of convective storms and (g) urban influences on surface energy fluxes. The work concludes with discussion of future research activities highlighted by the TRACER model-intercomparison project to explore the representation of aerosol-convective interactions in high-resolution simulations.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2021

Response of Global SSTs and ENSO to the Atlantic and Pacific Meridional Overturning Circulations

Consequences from a slowdown or collapse of the Atlantic meridional overturning circulation (AMOC) could include modulations to El Niño–Southern Oscillation (ENSO) and development of the Pacific meridional overturning circulation (PMOC). Despite potential ramifications to the global climate, our understanding of the influence of various AMOC and PMOC states on ENSO and global sea surface temperatures (SSTs) remains limited. Five multicentennial, fully coupled model simulations created with the Community Earth System Model were used to explore the influence of AMOC and PMOC on global SSTs and ENSO. We found that the amplitude of annual cycle SSTs across the tropical Pacific decreases and ENSO amplitude increases as a result of an AMOC shutdown, irrespective of PMOC development. However, active deep overturning circulations in both the Atlantic and Pacific basins reduce ENSO amplitude and variance of monthly SSTs globally. Furthermore, the underlying physical reasons for changes to global SSTs and ENSO are also discussed, with the atmospheric and oceanic mechanisms that drive changes to ENSO amplitude differing based on PMOC state. These results suggest that if climate simulations projecting AMOC weakening are realized, compounding climate impacts could occur given the far-reaching ENSO teleconnections to extreme weather and climate events. More broadly, these results provide us with insight into past geologic era climate states, when PMOC was active.

54 ENVIRONMENTAL SCIENCES↗