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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 1,261 records · Page 70
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Efficient Prompt Scintillation and Fast Neutron-Gamma Ray Discrimination Using Amorphous Blends of Difluorenylsilane Organic Glass and in-situ Polymerized Vinyltoluene

High performance radiation detection materials are an integral part of national security, medical imaging, and nuclear physics applications. Those that offer compositional and manufacturing versatility are of particular interest. In this work, we report a new family of radiological particle-discriminating scintillators containing bis(9,9-dimethyl-9H-fluoren-2- yl)diphenylsilane (compound “P2”) and in-situ polymerized vinyltoluene (PVT) that is phase stable and mechanically robust at any blend ratio. The gamma-ray light yield increases nearly linearly across the composition range, to ~16,400 photons/MeV at 75 % wt. P2. These materials are also capable of γ/n pulse shape discrimination (PSD) and between 20-50 % P2 loading are competitive with the PSD quality of commercially-available plastic scintillators. The 137 Cs scintillation rise and decay times are sensitive to P2 loading and approach the values for “pure” P2. Additionally, the radiation detection performance of P2-PVT blends can be made stable in 60°C air for at least 1.5 months with the application of a thin film of poly(vinylalcohol) to the scintillator surfaces.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

The Interplay Between Ferroelectricity and Electrochemical Reactivity on the Surface of Binary Ferroelectric Al x B 1–x N

Polarization dynamics and domain structure evolution in ferroelectric Al 0.93 B 0.07 N are studied using piezoresponse force microscopy and spectroscopies in ambient and controlled atmosphere environments. The application of negative unipolar and bipolar first-order reverse curve (FORC) waveforms leads to a protrusion-like feature on the Al 0.93 B 0.07 N surface and a reduction of electromechanical response due to electrochemical reactivity. A surface change is also observed on the application of fast alternating current bias. At the same time, the application of positive biases does not lead to surface changes. Comparatively in a controlled glove box atmosphere, stable polarization patterns can be observed, with minuscule changes in surface morphology. This surface morphology change is not isolated to applying biases to free surface, a similar topographical change is also observed at the electrode edges when cycling a capacitor in an ambient environment. The study suggests that surface electrochemical reactivity may have a significant impact on the functionality of this material in the ambient environment. However, even in the controlled atmosphere, the participation of the surface ions in polarization switching phenomena and ionic compensation is possible.

36 MATERIALS SCIENCE↗
DOE OSTI2021

In Situ Characterization of Ferroelectric HfO 2 During Rapid Thermal Annealing

Thermal annealing is critical in governing the phase distribution, and ultimately the electrical properties, of ferroelectric hafnium oxide films. In particular, rapid thermal annealing (RTA) has been shown to favor the formation of ferroelectric crystal phases, but the dynamic behavior of the film over the course of the anneal is not well understood. Herein, synchrotron X-ray diffraction is used to characterize the phase distribution of HfO 2 films deposited by atomic layer deposition (ALD) in situ during RTA, revealing complex phase transformations occurring on the scale of seconds. All samples investigated here transform into a nonmonoclinic phase, which is required for ferroelectric films. However, this phase often converts into the more stable monoclinic phase as annealing proceeds. The kinetic barrier to the transformation to the monoclinic phase during heating is higher than 1 eV f.u. -1 In this work, the initial crystallization into the ferroelectric phase and relatively high barrier to transformation to the nonferroelectric phase suggests that careful control of the thermal annealing profile can greatly increase the ferroelectric fraction of the film. By using a fast ramp rate and a short annealing time above the ferroelectric crystallization temperature, the remanent polarization of a pure HfO 2 film can be increased more than twofold.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Hyperspectral X-ray Imaging with TES Detectors for Nanoscale Chemical Speciation Mapping

We are developing an imaging capability (“Hyperspectral X-ray Imaging”) for mapping chemical information (molecular formula, phase, oxidation state, hydration) that is based on ultra-high-resolution X-ray emission spectroscopy with large transition-edge sensor microcalorimeter arrays in the scanning electron microscope. By combining microcalorimeter arrays with hundreds of pixels, high-bandwidth microwave frequency-division multiplexing, and fast digital electronics for near real-time data processing, our goal is to enable measurements using laboratory-scale instrumentation rather than synchrotron beamlines. Our application focus here is on mapping the chemical form of uranium compounds on the nanoscale. Furthermore, we will present our approach to developing the Hyperspectral X-ray Imaging capability, progress toward a 128-pixel microwave multiplexed X-ray fluorescence instrument at LANL, and the path to high-throughput nanoscale chemical mapping.

47 OTHER INSTRUMENTATION↗
DOE OSTI2026

Regional surrogates for predictive control of digital twins

Digital twins of complex systems must involve a model that is fast, generalizable, and usable for real-time control. For example, high-fidelity nonlinear multiphysics simulations can capture laser-material interactions, but are too slow for optimization or model predictive control (MPC). Reduced-order models, used to accelerate such computation, frequently fail to generalize to unseen inputs or control states. We show theoretically that this failure is intrinsic, i.e., that a learned model is non-unique outside the sampled subspace when its low-rank structure arises from limited excitation and clustered eigenvalues, rather than from a user-imposed truncation alone. Motivated by this result, we propose a control-ready regional surrogate-construction framework for both autonomous and nonautonomous dynamics; it employs Koopman lifting to represent nonlinearities, while preserving spatial locality. We illustrate our approach by constructing a control-ready surrogate for the digital twin of a thermal component of additive-manufacturing process. Our surrogate, localized in space through a von Neumann stencil, is learned from noisy high-fidelity simulations that emulate thermal-camera images collected during the manufacturing. It is linear in thermo-physically augmented states so that MPC reduces to a convex quadratic program. The surrogate requires no online correction, generalizes to unseen scan paths and power profiles of the laser, and is more than three orders of magnitude faster than a finite-difference solver. Furthermore, when the MPC sequence computed on the digital twin is applied to this solver, closed-loop temperature regulation is recovered, showing that the surrogate preserves control-relevant input-output behavior.

Data-driven model↗
DOE OSTI2022

Evaluation of a positron-emission-tomography-based SiPM readout for compact segmented neutron imagers

Gamma-ray emission from special nuclear material (SNM) is relatively easy to shield from detection using modest amounts of high-Z material. In contrast, fast-neutrons are much more penetrating and can escape relatively thick high-Z shielding without losing significant energy. Furthermore, fast neutrons provide a clear and unambiguous signature of the presence of SNM with few competing natural background sources. The challenge of detecting fast neutrons is twofold. First, the neutron flux from SNM are only a fraction of the corresponding gamma-ray flux. Second, fast neutrons can be difficult to differentiate from gamma rays. The ability to discriminate gamma rays from neutrons, combined with a neutron imaging capability, can in some situations enable the localization of SNM neutron sources distinct from background. With the developments of pulse-shape-sensitive plastic scintillators that offer excellent gamma-ray/neutron discrimination, and arrays of silicon photomultipliers combined with highly scalable and fast positron-emission-tomography (PET) multi-channel readout systems, field-deployable neutron imagers suitable for SNM detection might now be within reach. In this paper, we present a characterization of the performance of a recently available commercial PET-scanner readout, including its sensitivity to pulse-shape differences between fast neutrons and gamma rays, energy and timing resolution. Here, we find that, while the pulse-shape discrimination is achievable with stilbene, further improvement of the readout is required to achieve it with the PSD-capable available plastic scintillators.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2024

The gravity extension for MCNP 6.2

Standard MCNP particle tracking takes place along straight-line trajectories from interaction point to interaction point. There is a feature within MCNP that is planned for deprecation that provides surface boundary conditions for approximating gravity for planetary cases, but this feature is not applicable to a cold neutron beam. A new extension has been developed to track particles along parabolic trajectories with a constant acceleration. MCNP contains 1st and 2nd-order surfaces as well as a special case of 4th-order surfaces for simple tori, and the intersection of parabolic trajectories with these surfaces becomes 2nd, 4th, and 8th-order equations in time, respectively. Solving these equations utilizes a fast algorithm for finding the roots of polynomials. Finally, the theory, MCNP input card, and examples of using this new feature will be discussed.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

Stream lamination and rapid mixing in a microfluidic jet for X-ray spectroscopy studies

Microfluidic mixers offer new possibilities for the study of fast reaction kinetics down to the microsecond time scale, and methods such as soft X-ray absorption spectroscopy are powerful analysis techniques. These systems impose challenging constraints on mixing time scales, sample volume, detection region size and component materials. The current work presents a novel micromixer and jet device which aims to address these limitations. The system uses a so-called ‘theta’ mixer consisting of two sintered and fused glass capillaries. Sample and carrier fluids are injected separately into the inlets of the adjacent capillaries. At the downstream end, the two streams exit two micron-scale adjoining nozzles and form a single free-standing jet. The flow-rate difference between the two streams results in the rapid acceleration and lamination of the sample stream. This creates a small transverse dimension and induces diffusive mixing of the sample and carrier stream solutions within a time scale of 0.9 microseconds. The reaction occurs at or very near a free surface so that reactants and products are more directly accessible to interrogation using soft X-ray. We use a simple diffusion model and quantitative measurements of fluorescence quenching (of fluorescein with potassium iodide) to characterize the mixing dynamics across flow-rate ratios.

Huyke, Diego A. (ORCID:0000000283356613)↗
DOE OSTI2023

Long-Lived and Bright Biexcitons in Quantum Dots with Parabolic Band Potentials

Multiple exciton physics in semiconductor nanocrystals play an important role in optoelectronic devices. Here, this work investigates radially alloyed CdZnSe/CdS nanocrystals with suppressed Auger recombination due to the spatial separation of carriers, which also underpins their performance in optical gain and scintillation experiments. Due to suppressed Auger recombination, the biexciton lifetime is greater than 10 ns, much longer than most nanocrystals. The samples show optical gain, amplified spontaneous emission, and lasing at thresholds <2 excitons per particle. They also show broad gain bandwidth (>500 meV) encompassing 4 amplified spontaneous emission bands. Similarly enabled by slowed multiple exciton relaxation, the samples display strong performance in scintillating films under X-ray illumination. The CdZnSe/CdS samples have fast radioluminescence rise (<80 ps) and decay times (<5 ns), light yields up to 6700 photonsMeV -1 , and the demonstrated capacity for incorporation into large area films for scintillation imaging.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Species-Selective Detection of Volatile Organic Compounds by Ionic Liquid-Based Electrolyte Using Electrochemical Methods

The detection of volatile organic compounds (VOCs) is an important topic for environmental safety and public health. However, the current commercial VOC detectors suffer from cross-sensitivity and low reproducibility. In this work, we present species-selective detection for VOCs using an electrochemical cell based on ionic liquid (IL) electrolytes with features of high selectivity and reliability. The voltammograms measured with the IL-based electrolyte absorbing different VOCs exhibited species-selective features that were extracted and classified by linear discriminant analysis (LDA). The detection system could identify as many as four types of VOCs, including methanol, ethanol, acetone, formaldehyde, and additional water. A mixture of methanol and formaldehyde was detected as well. The sample required for the VOCs classification system was 50 μL, or 1.164 mmol, on average. The response time for each VOC measurement is as fast as 24 s. The volume of VOCs such as formaldehyde in solution could also be quantified by LDA and electrochemical impedance spectroscopy techniques, respectively. The system showed a tunable detection range for 1.6 and 16% (w/v) CH 2 O solution by adjusting the composition of the electrolyte. The limit of detection was as low as 1 μL. For the 1.6% CH 2 O solution, the linearity calibration range was determined to be from 5.30 to 53.00 μmol with a limit of detection at 0.53 μmol. The mechanisms for VOCs determination and quantification are also thoroughly discussed. Finally, it is expected that this work could provide a new insight into the concept of electrochemical detection of VOCs with machine learning analysis and be applied to both VOCs gas monitoring and fluid detection.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2026

Transfer learning for analysis of collective and non-collective Thomson scattering spectra

Thomson scattering (TS) diagnostics provide reliable, minimally perturbative measurements of fundamental plasma parameters, such as electron density (⁠n e ) and electron temperature (⁠T e ⁠). Deep neural networks can provide accurate estimates of ⁠n e and T e when conventional fitting algorithms may fail, such as when TS spectra are dominated by noise, or when fast analysis is required for real-time operation. Although deep neural networks typically require large training sets, transfer learning can improve model performance on a target task with limited data by leveraging pre-trained models from related source tasks, where select hidden layers are further trained using target data. We present five architecturally diverse deep neural networks, pre-trained on synthetic TS data and adapted for experimentally measured TS data, to evaluate the efficacy of transfer learning in estimating n e and T e in both the collective and non-collective scattering regimes. We evaluate errors in n e and T e estimates as a function of training set size for models trained with and without transfer learning, and we observe decreases in model error from transfer learning when the training set contains ≲ 200 experimentally measured spectra.

Artificial neural networks↗
DOE OSTI2024

Alpha particle loss measurements and analysis in JET DT plasmas

Abstract Burning reactor plasmas will be self-heated by fusion born alpha particles from deuterium-tritium reactions. Consequently, a thorough understanding of the confinement and transport of DT-born alpha particles is necessary to maintain the plasma self-heating. Measurements of fast ion losses provide a direct means to monitor alpha particle confinement. JET’s 2021–2022 second experimental DT-campaign offers burning plasma scenarios with advanced fast ion loss diagnostics for the first time in nearly 25 years. Coherent and non-coherent alpha losses were observed due to a variety of low frequency MHD activity. This manuscript will present the loss mechanisms, spatial and pitch dependencies, scalings with plasma parameters, correlations with wall impurities, and magnitude of DT-alpha born losses.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

A Robust Communication-Free Protection Scheme for Islanded Microgrids with Relay Logic and Hardware-in-the-Loop Validation

This paper presents the Imbalance Square Factor (ISF) detection algorithm, an effective, computationally lightweight method for detecting faults in inverter-based microgrids. ISF provides a high magnitude at the time of the fault, which allows for fast detection and coordination between primary and backup relays. The imbalance squared factor, calculated using local voltage and currents, is used for fault detection and coordination among three relays. ISF is validated in hardware-in-the-loop (HIL) implementation inside commercial-grade relay logic (SEL-751). The HIL validation shows that ISF can coordinate primary, secondary, and tertiary relays in the 13-bus system in islanded operation.

Ferrari Maglia, Max [ORNL]↗
DOE OSTI2024

Learning Constrained Parametric Differentiable Predictive Control Policies With Guarantees

We present differentiable predictive control (DPC), a method for offline learning of constrained neural control policies for nonlinear dynamical systems with performance guarantees. We show that the sensitivities of the parametric optimal control problem can be used to obtain direct policy gradients. Specifically, we employ automatic differentiation (AD) to efficiently compute the sensitivities of the model predictive control (MPC) objective function and constraints penalties. To guarantee safety upon deployment, we derive probabilistic guarantees on closed-loop stability and constraint satisfaction based on indicator functions and Hoeffding’s inequality. We empirically demonstrate that the proposed method can learn neural control policies for various parametric optimal control tasks. In particular, we show that the proposed DPC method can stabilize systems with unstable dynamics, track time-varying references, and satisfy nonlinear state and input constraints. Our DPC method has practical time savings compared to alternative approaches for fast and memory-efficient controller design. Specifically, DPC does not depend on a supervisory controller as opposed to approximate MPC based on imitation learning. We demonstrate that, without losing performance, DPC is scalable with greatly reduced demands on memory and computation compared to implicit and explicit MPC while being more sample efficient than model-free reinforcement learning (RL) algorithms.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Molten Salt Assisted Low-Temperature Electro-Catalytic Graphitization of Coal Chars

A great effort has been centered around developing clean energy technologies (energy storage devices) to curtail burning fossil fuels' deleterious environmental effects. Rechargeable batteries [lithium-ion batteries (LIBs)] are among the most invested and investigated storage devices showing potential to transform fossil fuel-powered mobility to next-generation safe electromobility. However, LIBs powered electric vehicles (EV) are expensive due to the high-cost graphite anode associated with LIBs. Herein, the synthesis of low-cost, highly crystalline nano-graphite with a tunable microstructural architecture has been demonstrated via molten salt assisted low-temperature electro-catalytic graphitization of coal chars, traditionally non-graphitizable carbon. Thus, graphite derived from coal chars exhibited nanoflake architecture and delivered high reversible capacity, stable long cycle life, and excellent electrochemical performance under fast charging/discharging conditions (5C, ~12 min charge/discharge time). This finding paves the way to manufacture cost-effective high-energy-density batteries using as-synthesized graphite from readily available coal sources that could propel the EVs to the next level.

25 ENERGY STORAGE↗
DOE OSTI2020

Application of the Rossi-alpha method to simulations of HEU and organic scintillators

The International Criticality Safety Benchmark Evaluation Project (ICSBEP) Handbook contains thousands of high-quality benchmark measurements that include detailed descriptions of experiment designs and exhaustive accounting of uncertainties. These benchmarks are used extensively by the criticality safety and nuclear data communities. A subcritical benchmark involving bare, highly enriched uranium (HEU) has yet to be accepted to the handbook. The Measurement of Uranium Subcritical and Critical (MUSiC) was proposed to address this gap. MUSiC will be performed at the National Criticality Experiments Research Center (NCERC) and will leverage bare HEU hemisphere shells that can be assembled in a variety of configurations. The measurement has the following key benefits: it will be the first set of fast, subcritical measurements of HEU to be submitted to ICSBEP; ten configurations will be measured spanning from nearly no multiplication to critical (e.g., it is a measurement of similar systems with different re activities); measurements of an all-HEU system will be of value for nuclear data validation, providing results that assist in determining biases in both measurements and simulations. A variety of detector systems will be used including a Neutron Multiplicity Array Detector (NoMAD) system (similar to the MC-15), four small volume 0.635 cm (#8960;) × 7.59 cm 3He detectors (ideal for measuring prompt neutron decay constants due to their fast recovery speed), and an array of eight 5.08 cm (#8960;) × 5.08 cm EJ-309 organic scintillator detectors. The focus of this work is the simulation of the subcritical MUSiC configurations including the EJ-309 detectors and the application of the Rossi-α method. The EJ-309 organic scintillator detector array is a new detection system that will be deployed at NCERC. Organic scintillators are ideal for measurements of fast, subcritical systems due to their short time response on the order of nanoseconds.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2023

SKS Polarization Anomalies Due to the Coriolis Force

The Earth’s Coriolis force has been well–known to impact surface waves and normal modes, which is essential to accurately interpret these waves. However, the Coriolis force on body waves has been assumed to be negligible and mostly ignored. It has been previously shown that the Coriolis force impacts polarizations of shear waves, whereas the wavefronts remain unaffected. We expand on the potential influences of Earth’s Coriolis force on shear–wave polarization measurements by conducting 3D numerical simulations for elastic waves generated by earthquake and explosive sources in a radially symmetric, and 3D mantle and crustal models. The Coriolis force can produce polarization anomalies of mantle shear waves up to 7° and core phases, such as SKS and SKKS, up to 4°. Uncorrected shear–wave polarizations due to the Coriolis force can cause an additional source of error (5°–10° in fast direction, and 0.2–0.3 s delay time depending on the method and seismic phase), inaccurate interpretation of station misalignments, and imprecise estimates of the core–mantle boundary topography. We show how to correct for the Coriolis force on teleseismic shear waves using 1D ray tracing for well–isolated phases. Here, we recommend the use of full waveform simulations to accurately account for earthquake sources parameters, poorly isolated phases that could include interfering phase arrivals within the measurement time window, and the effect of the Coriolis force on the polarizations of shear waves.

58 GEOSCIENCES↗
DOE OSTI2022

LaplaceInterpolation.jl: A Julia package for fast interpolation on a grid

We implement a linear-time algorithm for interpolation on a regular multidimensional grid in the Julia language. The algorithm is an approximate Laplace interpolation (Press, 1992) when no parameters are given; and when parameters m ∈ Z and ϵ > 0 are set, the interpolant approximates a Matérn kernel, of which radial basis functions and polyharmonic splines are a special case. We implement, in addition, Neumann, Dirichlet (trivial), and average boundary conditions with potentially different aspect ratios in the different dimensions. The interpolant functions in arbitrary dimensions.

97 MATHEMATICS AND COMPUTING↗