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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Thermal dynamics of P2-Na 0.67 Ni 0.33 Mn 0.67 O 2 cathode materials for sodium ion batteries studied by in situ analysis

Cobalt-free layered Na 0.67 Ni 0.33 Mn 0.67 O 2 is an attractive cathode material for sodium ion batteries. The thermal stability of cathode materials is crucial to their practical applications. In the current work, we investigate structural and morphological evolution in P2-type Na 0.67 Ni 0.33 Mn 0.67 O 2 cathode materials during annealing via in situ synchrotron X-ray diffraction and transmission electron microscopy. Insights are obtained from the two complementary in situ characterizations (at different length scales) in term of the thermal stability of P2-Na 0.67 Ni 0.33 Mn 0.67 O 2 cathode materials. Here, the results indicate that the hexagonal P2 phase remains unchanged during the heat treatment process, and thermally driven expansion/contraction of lattice parameters exhibit an anisotropic character in the a and c directions. In addition, interfaces/grain boundaries play an important role in the structural stability, which leads to the distinct morphological evolution between the polycrystalline and single-crystal particles.

25 ENERGY STORAGE↗
DOE OSTI2026

Time-domain terahertz emission spectroscopy on van der Waals materials

Time-domain terahertz (THz) emission spectroscopy provides a direct method to probe transient photo-currents by recording the emitted terahertz electric field. Although the basic principles of THz surface emission have been understood for more than 30 years, the constant progress in ultrafast laser science to ever shorter pulses, the development of new materials and enhanced sensitivity promote THz emission spectroscopy as a reliable method to gain insights into charge carrier dynamics with unprecedented precision. It provides a versatile tool to study ultrafast processes, such as plasmon-driven hot carriers, dynamics of Dirac fermions, interfacial charge transfer, coherent phonon emission and quantum beating, to name only a few. However, despite the rapidly growing body of research on van der Waals materials, especially in their low-dimensional limit, THz emission spectroscopy has only been applied to a limited extent in these material systems. In this prospective, we review time-domain THz emission spectroscopy as a complementary approach to probe ultrafast charge carrier dynamics and the material’s nonlinear response. After a description of the experimental method, we report on THz emission spectroscopy of bulk and 2D van der Waals materials with special focus on graphene and transition metal dichalcogenide layers.

2D materials↗
DOE OSTI2024

Reinforcement Learning as a Parsimonious Alternative to Prediction Cascades: A Case Study on Image Segmentation

Deep learning architectures have achieved state-of-the-art (SOTA) performance on computer vision tasks such as object detection and image segmentation. This may be attributed to the use of over-parameterized, monolithic deep learning architectures executed on large datasets. Although such large architectures lead to increased accuracy, this is usually accompanied by a larger increase in computation and memory requirements during inference. While this is a non-issue in traditional machine learning (ML) pipelines, the recent confluence of machine learning and fields like the Internet of Things (IoT) has rendered such large architectures infeasible for execution in low-resource settings. For some datasets, large monolithic pipelines may be overkill for simpler inputs. To address this problem, previous efforts have proposed decision cascades where inputs are passed through models of increasing complexity until the desired performance is achieved. However, we argue that cascaded prediction leads to sub-optimal throughput and increased computational cost due to wasteful intermediate computations. To address this, we propose PaSeR (Parsimonious Segmentation with Reinforcement Learning) a non-cascading, cost-aware learning pipeline as an efficient alternative to cascaded decision architectures. Through experimental evaluation on both real-world and standard datasets, we demonstrate that PaSeR achieves better accuracy while minimizing computational cost relative to cascaded models. Further, we introduce a new metric IoU/GigaFlop to evaluate the balance between cost and performance. On the real-world task of battery material phase segmentation, PaSeR yields 179% improvement over SOTA MatPhase model and a 196% improvement over IDK Cascades under the IoU/GigaFlop metric. We also demonstrate PaSeR’s adaptability to complementary models trained on a noisy MNIST dataset, where it outperforms all baselines on IoU/GigaFlop by an average of 44%.

Srikshan, Bharat↗
DOE OSTI2021

Temperature Effects on Droplet Oscillation Decay with Application to Fuel Property Measurement

Observation of oscillation decay in droplets has been shown to be an effective approach in determining physical properties such as viscosity and surface tension for emerging biofuels using μl quantities. Herein this work extends the approach to higher temperatures relevant to fuel injection conditions for internal combustion engines. Experiments are conducted that use high-resolution strobed imaging of moving, heated, μm-sized, fuel droplets to capture shape oscillation decay through image processing and analysis. Two fuels are investigated, iso-butanol and a primary reference fuel (PRF 84), which is a mixture of iso-octane and n-heptane. A piezoelectric droplet generator is used to generate a continuous train of single droplets, which are given an initial perturbation and subsequently undergo damped oscillations, captured using strobed imaging. Surface tension and viscosity calculated at four different temperatures ranging from 30°C-55°C using the frequency and decay time associated with the fundamental mode are found to be within ~ 10% of reference values obtained from the literature. Complementary numerical simulations are performed that utilize a volume-of-fluid approach to track transient droplet oscillation phenomena along with heat and mass transfer in a 2D axisymmetric domain. Simulations, where droplet size and temperature can be independently varied, capture an expected decrease in oscillation frequency and increase in decay time, with increase in fuel temperature. The simulations are further used to study the relative contribution to deviations in surface tension and viscosity predictions due to heat and mass transfer from the droplet, as well as viscous effects violating the inviscid flow assumption in the droplet oscillation theory. Mass loss effects are found to be negligible. Temperature change due to heat transfer is found to have the next highest sensitivity, particularly for the more volatile PRF 84, which has a lower viscosity and associated Ohnesorge number. For isobutanol, which has a higher viscosity and Ohnesorge number, viscous effects contribute the most to deviation in fuel property predictions.

09 BIOMASS FUELS↗
DOE OSTI2026

Data-Driven Modeling and Correction of Vehicle Dynamics

We develop a data-driven framework for learning and correcting nonautonomous vehicle dynamics. Physics-based vehicle models are often simplified for tractability and therefore exhibit inherent model-form uncertainty, motivating the need for data-driven correction. Moreover, nonautonomous dynamics are governed by time-dependent control inputs, which pose challenges in learning predictive models directly from temporal snapshot data. To address these, we reformulate the vehicle dynamics via a local parameterization of the time-dependent inputs, yielding a modified system composed ofa sequence of local parametric dynamical systems. Here, we approximate these parametric systems using two complementary approaches. First, we employ the dimension reduction and interpolation in parameter space (DRIPS) methodology to construct efficient linear surrogate models, equipped with lifted observable spaces and manifold-based operator interpolation. This enables data-efficient learning of vehicle models whose dynamics admit accurate linear representations in the lifted spaces. Second, for more strongly nonlinear systems, we employ flow map learning (FML), a deep neural network (DNN) approach that approximates the parametric evolution map without requiring special treatment of nonlinearities. We further extend FML with a transfer-learning-based model correction procedure, enabling the correction of misspecified prior models using only a sparse set of high-fidelity or experimental measurements, without assuming a prescribed form for the correction term. Through a suite of numerical experiments on unicycle, simplified bicycle, and slip-based bicycle models, we demonstrate that DRIPS offers robust and highly data-efficient learning of nonautonomous vehicle dynamics, while FML provides expressive nonlinear modeling and effective correction of model-form errors under severe data scarcity.

data-driven modeling↗
DOE OSTI2023

AmeriFlux FLUXNET-1F US-xCP NEON Central Plains Experimental Range (CPER)

This is the AmeriFlux Management Project (AMP) created FLUXNET-1F version of the carbon flux data for the site US-xCP NEON Central Plains Experimental Range (CPER). This is the FLUXNET version of the carbon flux data for the site US-xCP NEON Central Plains Experimental Range (CPER) produced by applying the standard ONEFlux (1F) software. Site Description - Central Plains Experimental Range (CPER) site in north central Colorado. CPER served as part of the Shortgrass Steppe LTER from 1982-2014 and is now home to a fully instrumented NEON site and a wealth of relevant historical data as well as ongoing collections of complementary data(i.e. airborne remote sensing, soil temperature and moisture, phenology measurements, plant biomass and more)

Network), NEON (National Ecological Observatory↗
DOE OSTI2020

Discrimination of Small Earthquakes and Buried Single-Fired Chemical Explosions at Local Distances (<150 km) in the Western United States from Comparison of Local Magnitude ( M L ) and Coda Duration Magnitude ( M C )

Seismologists distinguish underground nuclear explosions from more commonly occurring earthquakes using moment tensor inversion, high-frequency P/S amplitude ratios, m b :M s comparisons, and P–pP differential travel times. These methods are generally successful for large seismic events (M >3-4) well recorded at regional-to-teleseismic distances (>150 km); however, it is unclear whether they can be modified to work for small events (M <3) well recorded only at local distances (<150 km). Here, we evaluate a recently proposed, local-distance seismic source discriminant—the difference between local magnitude (M L ) and coda duration magnitude (M C )—using seismograms of earthquakes and buried, single-fired chemical explosions recorded in three regions of the western United States. The quantity M L –M C was previously found to be sensitive to source depth, effectively discriminating mine blasts, induced earthquakes, and very shallow tectonic earthquakes from deeper crustal earthquakes. In this study, we report the first evaluation of M L –M C as a depth discriminant using data from buried, single-fired explosions that, unlike the seismic sources studied earlier, are good analogs for underground nuclear explosions. We find that even when using generic, uncalibrated methods of assigning magnitudes, M L –M C separates single-fired explosions and earthquakes. The area under the receiver operating characteristic curve is 0.92 for 19 explosions and 14 earthquakes in Washington, 0.90 for 22 explosions and 90 earthquakes in Wyoming, and 0.99 for three explosions and 149 earthquakes in Nevada. Finally, M L :M C comparisons have the potential to enhance discrimination based on high-frequency P/S amplitudes ratios—which perform less well at local than regional distances—because the two metrics have complementary sensitivities.

58 GEOSCIENCES↗
DOE OSTI2025

Bayesian Inference for the Seismic Moment Tensor Using Regional Waveforms and Teleseismic- P Polarities with a Data-Derived Distribution of Velocity Models and Source Locations

The largest source of uncertainty in any source inversion is the velocity model used in the transfer function that relates observed ground motion to the seismic moment tensor. However, standard inverse procedure often does not quantify uncertainty in the seismic moment tensor due to error in the Green’s functions from uncertain event location and Earth structure. Here, we incorporate this uncertainty into an estimation of the seismic moment tensor using a data-derived distribution of velocity models based on complementary geophysical data sets, including thickness constraints, velocity profiles, gravity data, surface-wave group velocities, and regional body-wave travel times. The data-derived distribution of velocity models is then used as a prior distribution of Green’s functions for use in Bayesian inference of an unknown seismic moment tensor using regional and teleseismic-P waveforms. The use of multiple data sets is important for gaining resolution to different components of the moment tensor. The combined likelihood is estimated using data-specific error models and the posterior of the seismic moment tensor is estimated and interpreted in terms of the most probable source type.

58 GEOSCIENCES↗
DOE OSTI2021

Humming Trains in Seismology: An Opportune Source for Probing the Shallow Crust

Abstract Seismologists are eagerly seeking new and preferably low-cost ways to map and track changes in the complex structure of the top few kilometers of the crust. By understanding it better, they can build on what is known regarding important, practical issues. These include telling us whether imminent earthquakes and volcanic eruptions are generating telltale underground signs of hazard, about mitigation of induced seismicity such as from deep injection of wastewater, how the Earth and its atmosphere couple, and where accessible natural resources are. Passive seismic imaging usually relies on blind correlations within extended recordings of Earth’s ceaseless “hum” or coda of well-mixed, small vibrations. In this article, we propose a complementary approach. It is seismic interferometry using opportune sources—specifically ones not stationary in time and moving in a well-understood configuration. Its interpretation relies on an accurate understanding of how these sources radiate seismic waves, precise timing, careful placement of pairs of listening stations, and seismic phase differentiation (surface and body waves). Massive freight trains were only recently recognized as such a persistent, powerful cultural (human activity-caused) seismic source. One train passage may generate a tremor with an energy output of a magnitude 1 earthquake and be detectable for up to 100 km from the track. We discuss the source mechanisms of train tremors and review the basic theory on sources. Finally, we present case studies of body- and surface-wave retrieval as an aid to mineral exploration in Canada and to monitoring of a southern California fault zone. We believe noise recovery from this new signal source, together with dense data acquisition technologies such as nodes or distributed acoustic sensing, will deeply transform our ability to monitor activity in the shallow crust at sharpened resolution in time and space.

Geochemistry & Geophysics↗
DOE OSTI2021

Machine-Learning-Based High-Resolution Earthquake Catalog Reveals How Complex Fault Structures Were Activated during the 2016–2017 Central Italy Sequence

The 2016–2017 central Italy seismic sequence occurred on an 80 km long normal-fault system. The sequence initiated with the Mw 6.0 Amatrice event on 24 August 2016, followed by the Mw 5.9 Visso event on 26 October and the Mw 6.5 Norcia event on 30 October. We analyze continuous data from a dense network of 139 seismic stations to build a high-precision catalog of ~900,000 earthquakes spanning a 1 yr period, based on arrival times derived using a deep-neural-network-based picker. Our catalog contains an order of magnitude more events than the catalog routinely produced by the local earthquake monitoring agency. Aftershock activity reveals the geometry of complex fault structures activated during the earthquake sequence and provides additional insights into the potential factors controlling the development of the largest events. Activated fault structures in the northern and southern regions appear complementary to faults activated during the 1997 Colfiorito and 2009 L’Aquila sequences, suggesting that earthquake triggering primarily occurs on critically stressed faults. Delineated major fault zones are relatively thick compared to estimated earthquake location uncertainties, and a large number of kilometer-long faults and diffuse seismicity were activated during the sequence. These properties might be related to fault age, roughness, and the complexity of inherited structures. The rich details resolvable in this catalog will facilitate continued investigation of this energetic and well-recorded earthquake sequence.

58 GEOSCIENCES↗
DOE OSTI2026

Seismic Recovery of Acoustic Source Height During the OSIRIS-REx Sample Return Capsule Re-Entry

Controlled hypersonic reentries with well‐constrained trajectories are exceedingly rare, yet they provide valuable reference cases for validating geophysical source characterization methods applicable to bolides and space debris. The 24 September 2023 re‐entry of the OSIRIS‐REx Sample Return Capsule, the first interplanetary capsule to return over the contiguous United States in nearly two decades, presented such an opportunity. Here, we present seismic observations of this event recorded at 16 stations across three sites at ground distances of 7–20 km from the trajectory. Using eigenray tracing through ground‐to‐space atmospheric specifications, we invert picked acoustic‐to‐seismic travel times for effective shock‐generated acoustic source altitudes along the known trajectory. The method recovers source heights of 57.9–59.5 km with travel‐time residuals <1 s across all stations. The seismic‐derived source heights, when compared at their along‐track positions, fall within the range of previously published infrasound‐derived heights for the corresponding trajectory segment, with intermethod differences comparable with the timing‐based uncertainty. These results suggest that air‐to‐ground coupling does not introduce a resolvable systematic timing bias in the picked near‐field seismic arrivals, supporting seismic observations as a complementary tool for altitude estimation of bolides, re‐entry vehicles, and other hypersonic atmospheric sources.

Silber, Elizabeth Allaryce [Sandia National Labora↗
DOE OSTI2022

Design concept for a second interaction region for the Electron-Ion Collider

In addition to the day-one primary Interaction Region (IR), the design of the Electron Ion Collider (EIC) must support operation of a 2nd IR potentially added later. The 2nd IR is envisioned in an existing experimental hall at RHIC IP8, compatible with the same beam energy combinations as the 1st IR over the full center of mass energy range of ~20 GeV to ~140 GeV. The 2nd IR is designed to be complementary to the 1st IR. In particular, a secondary focus is added in the forward ion direction of the 2nd IR hadron beamline to optimize its capability in detecting particles with magnetic rigidities close to those of the ion beam. We provide the current design status of the 2nd IR in terms of parameters, magnet layout and beam dynamics.

Gamage, B. R.↗
DOE OSTI2023

G2Aero: A Python package for separable shape tensors

G2Aero is a Python package for the design and deformation of discrete planar curves and tubular surfaces using a geometric data-driven approach. G2Aero utilizes a topology of product manifolds: the Grassmannian, $\mathcal{G}$($\mathcal{n}$, 2) - the set of 2-dimensional subspaces in $\mathbb{R}$ $\mathcal{n}$ - and the symmetric positive-definite (SPD) manifold, $\mathcal{S}^{2}_{++}$ - the set of 2x2 SPD matrices. The package provides a novel framework for representing separable deformations to shapes, which consist of stretching, scaling, rotating, and translating - also known as affine deformations - and a set of complementary deformations - which we refer to as undulation-type deformations. We focus on airfoil and blade design applications to emphasize the utility of the methods in an environment where the separation of affine and undulation-type deformations is critical. Notable functionalities of the framework for blade design include: 1) generating novel 2D (airfoil) shapes informed by a database of physically relevant airfoils, 2) building 3D blades by interpolating sequences of 2D airfoil cross-sections, and 3) generating blades with consistent perturbations along the blade span. We discuss the framework and provide examples in the context of wind energy applications, specifically wind turbine blade design. Figure 1 shows the wire frame obtained by interpolating airfoils defining the IEA 15-MW wind turbine blade and applying affine transformations corresponding to twist, chordal scaling, and bending. This, and all other figures in the paper, can be reproduced following examples and referencing supporting documentation provided in the G2Aero package.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2022

Effects of Carbonic Acid-Rock Interactions on CO2/Brine Multiphase Flow Properties in the Upper Minnelusa Sandstones

Summary Carbon dioxide (CO2) injection into a deep saline aquifer can dissolve into formation brine and generate carbonic acid. The resulting acid can drive fluid-rock geochemical reactions. The impact of these fluid-rock geochemical reactions on porosity, permeability, and multiphase flow responses is relevant to the determination of CO2 storage capacity of deep saline aquifers. In this research, carbonic acid flooding experiments were performed on core samples consisting of poorly sorted, quartz-rich sand with laminated bedding from a possible CO2 storage target in northwest Wyoming. Complementary pre- and post-injection porosity and permeability, thin-section, Brunauer-Emmett-Teller (BET) surface area, mercury intrusion capillary pressure (MICP), and time-domain nuclear magnetic resonance (TD-NMR) measurements were conducted. Overall, both core porosity and permeability increased after a 7-day carbonic acid injection, from 6.2 to 8.4% and 1.6 to 3.7 md, respectively. We attributed these changes to carbonate mineral dissolution, which was evidenced by the effluent brine geochemistry, pore-throat size distribution (PTSD), and BET surface area. To be more specific, within the more-permeable section of core samples containing larger pore size, the permeability increment is apparent due to dolomite mineral grains and cements dissolution. However, for the lower-permeability section corresponding to the smaller pore size, mineral precipitation possibly lessened dissolution effects, leading to insignificant petrophysical properties changes. Consequently, the observed heterogeneous carbonic acid-rock interactions resulted in alterations of CO2/brine relative permeability (i.e., the initial CO2 saturation decreased and the CO2 flow capacity was enhanced). This research provides a fundamental understanding regarding effects of fluid-rock reactions on changes in static and multiphase flow properties of eolian sandstones, which lays the foundation for more accurate prediction/simulation of CO2 injection into deep saline aquifers.

Engineering↗
DOE OSTI2023

High-pressure behavior of 3.65 Å phase: Insights from Raman spectroscopy

Abstract The 3.65 Å phase [MgSi(OH)6] is a hydrous phase that is predicted to be stable in a simplified MgO-SiO2-H2O (MSH) ternary system at pressures exceeding 9 GPa. Along cold subduction zones, it is likely to transport water, bound in its crystalline lattice, into the Earth’s interior. The 3.65 Å phase consists of Mg and Si octahedral sites attached to the hydroxyl group that forms a hydrogen bond and is predicted to undergo pressure-induced symmetrization of the hydrogen bond. Therefore, in this study, we investigate the high-pressure behavior of the 3.65 Å phase using Raman spectroscopy. We have conducted five distinct compressions up to ~60 GPa using two different pressure-transmitting media—alcohol mixture and neon. At ambient conditions, we identified vibrational modes using complementary first-principles simulations based on density functional perturbation theory. Upon compression, we note that the first derivative of the vibrational modes in the lattice region stiffens, i.e., b1lattice > 0. In contrast, the hydroxyl region softens, i.e., b1OH > 0. This is indicative of the strengthening of hydrogen bonding upon compression. We noticed a significant broadening of vibrational modes related to hydroxyl groups that are indicative of proton disorder. However, within the maximum pressures explored in this study, we did not find evidence for pressure-induced symmetrization of the hydrogen bonds. We used the pressure derivative of the vibrational modes to determine the ratio of the bulk moduli and their pressure derivative. We note that the smaller bulk moduli of hydrous phases compared to the major mantle phases are compensated by significantly larger pressure derivatives of the bulk moduli for the hydrous phases. This leads to a significant reduction in the elasticity contrast between hydrous and major mantle phases. Consequently, the detection of the degree of mantle hydration is likely to be challenging at greater depths.

Geochemistry & Geophysics↗
DOE OSTI2021

OASIS: Optimal Analysis-Specific Importance Sampling for event generation

We propose a technique called Optimal Analysis-Specific Importance Sampling (OASIS) to reduce the number of simulated events required for a high-energy experimental analysis to reach a target sensitivity. We provide recipes to obtain the optimal sampling distributions which preferentially focus the event generation on the regions of phase space with high utility to the experimental analyses. OASIS leads to a conservation of resources at all stages of the Monte Carlo pipeline, including full-detector simulation, and is complementary to approaches which seek to speed-up the simulation pipeline.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Quantum minimal surfaces from quantum error correction

We show that complementary state-specific reconstruction of logical (bulk) operators is equivalent to the existence of a quantum minimal surface prescription for physical (boundary) entropies. This significantly generalizes both sides of an equivalence previously shown by Harlow[1]; in particular, we do not require the entanglement wedge to be the same for all states in the code space. In developing this theorem, we construct an emergent bulk geometry for general quantum codes, defining ``areas'' associated to arbitrary logical subsystems, and argue that this definition is ``functionally unique.'' We also formalize a definition of bulk reconstruction that we call ``state-specific product unitary’’ reconstruction. This definition captures the quantum error correction (QEC) properties present in holographic codes and has potential independent interest as a very broad generalization of QEC; it includes most traditional versions of QEC as special cases. Our results extend to approximate codes, and even to the ``non-isometric codes'' that seem to describe the interior of a black hole at late times.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2024

Accessing CKM suppressed top decays at the LHC

We propose an extension of the existing experimental strategy for measuring branching fractions of top quark decays, targeting specifically t\to j_q W t → j q W , where j_q j q is a light quark jet. The improved strategy uses orthogonal b b - and q q -taggers, and adds a new observable, the number of light-quark-tagged jets, to the already commonly used observable, the fraction of b b -tagged jets in an event. Careful inclusion of the additional complementary observable significantly increases the expected statistical power of the analysis, with the possibility of excluding |V_{tb}|=1 | V t b | = 1 at 95\% 95 % C.L. at the HL-LHC, and accessing directly the standard model value of |V_{td}|^2+|V_{ts}|^2 | V t d | 2 + | V t s | 2 .

Faroughy, Darius A. (ORCID:0000000240275477)↗