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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

CAG12 - A CSCM based procedure for flow of an equilibrium chemically reacting gas

The Conservative Supra Characteristic Method (CSCM), an implicit upwind Navier-Stokes algorithm, is extended to the numerical simulation of flows in chemical equilibrium. The resulting computer code known as Chemistry and Gasdynamics Implicit - Version 2 (CAG12) is described. First-order accurate results are presented for inviscid and viscous Mach 20 flows of air past a hemisphere-cylinder. The solution procedure captures the bow shock in a chemically reacting gas, a technique that is needed for simulating high altitude, rarefied flows. In an initial effort to validate the code, the inviscid results are compared with published gasdynamic and chemistry solutions and satisfactorily agreement is obtained.

Green, M. J.↗

Raman linewidths and rotationally inelastic collision rates in nitrogen

Using the N2-N2 interaction potential of van der Avoird et al. (1986) rotationally inelastic collision cross sections have been computed within the infinite order sudden (IOS) approximation, assuming the molecules are distinguishable. Methods for enforcing detailed balance and correcting for effects of inelasticity, which are ignored in the IOS approximation, are considered, including the energy corrected sudden (ECS) method. Suitably averaged cross sections are compared with experimental Raman Q-branch linewidths for temperatures from 295 to 1500 K and with recently measured room temperature state-to-state rates. Agreement is rather good, especially if ECS corrections are applied.

Green, Sheldon↗

En Route Spacing System and Method

A method of and computer software for minimizing aircraft deviations needed to comply with an en route miles-in-trail spacing requirement imposed during air traffic control operations via establishing a spacing reference geometry, predicting spatial locations of a plurality of aircraft at a predicted time of intersection of a path of a first of said plurality of aircraft with the spacing reference geometry, and determining spacing of each of the plurality of aircraft based on the predicted spatial locations.

Heinz Erzberger↗

Analysis of emission spectra of Ho{sup 3+}:LFBCd glasses

In the present paper, we report on the absorption and emission properties of (0.1-1.5 mol %) Ho{sup 3+} doped LFBCd (Li{sub 2}O{sub −}LiF{sub −}B{sub 2}O{sub 3−}CdO) glasses prepared via melt quenching method. On exciting these glasses at (λ{sub exci}) = 452 nm, two emissions at 556 nm ({sup 5}S{sub 2}→{sup 5}I{sub 8}; Green), 655 nm ({sup 5}F{sub 5}→{sup 5}I{sub 8}; Red) have been obtained. Upon exciting these glasses with a 980 nm diode laser, NIR emissions at 1195 nm ({sup 5}I{sub 6}→{sup 5}I{sub 8}), 1951 nm ({sup 5}I{sub 7}→{sup 5}I{sub 8}) have been measured for 1 mol % Ho{sup 3+}:LFBCd glass. For higher concentration beyond 1.0 mol %, emission quenching of Ho{sup 3+} glass has been noticed and which has successfully been explained in terms of an energy level diagram. From absorption cross-section data, stimulated emission cross-section has been evaluated by applying McCumber's theory and further cross-sectional gain has also been computed for the emissions at 1195 nm (∼1.20 μm) and 1951 nm (∼2.0 μm) of 1 mol % Ho{sup 3+}:LFBCd glass.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Sparsified time-dependent Fourier neural operators for fusion simulations

This paper presents a sparsified Fourier neural operator for coupled time-dependent partial differential equations (ST-FNO) as an efficient machine learning surrogate for fluid and particle-based fusion codes such as NIMROD (Non-Ideal Magnetohydrodynamics with Rotation - Open Discussion) and GTC (Gyrokinetic Toroidal Code). ST-FNO leverages the structures in the governing equations and utilizes neural operators to represent Green's function-like numerical operators in the corresponding numerical solvers. Once trained, ST-FNO can rapidly and accurately predict dynamics in fusion devices compared with first-principle numerical algorithms. In general, ST-FNO represents an efficient and accurate machine learning surrogate for numerical simulators for multi-variable nonlinear time-dependent partial differential equations, with the proposed architectures and loss functions. The efficacy of ST-FNO has been demonstrated using quiescent H-mode simulation data from NIMROD and kink-mode simulation data from GTC. The ST-FNO H-mode results show orders of magnitude reduction in memory and central processing unit usage in comparison with the numerical solvers in NIMROD when computing fields over a selected poloidal plane. The ST-FNO kink-mode results achieve a factor of 2 reduction in the number of parameters compared to baseline FNO models without accuracy loss.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Kinetic-j : A computational kernel for solving the linearized Vlasov equation applied to calculations of the kinetic, configuration space plasma current for time harmonic wave electric fields

We present the Kinetic-j code, a computational kernel for evaluating the linearized Vlasov equation withapplication to calculating the kinetic plasma response (current) to an applied time harmonic wave electricfield. This code addresses the need for a configuration space evaluation of the plasma current to enablekinetic full-wave solvers for waves in hot plasmas to move beyond the limitations of the traditional Fourierspectral methods. We benchmark the kernel via comparison with the standard k-space forms of the hotplasma conductivity tensor.

Green, David L.↗

Four-Carbon Criegee Intermediate from Isoprene Ozonolysis: Methyl Vinyl Ketone Oxide Synthesis, Infrared Spectrum, and OH Production

The reaction of ozone with isoprene, one of the most abundant volatile organic compounds in the atmosphere, produces three distinct carbonyl oxide species (RR'COO) known as Criegee intermediates: formaldehyde oxide (CH 2 OO), methyl vinyl ketone oxide (MVK-OO), and methacrolein oxide (MACR-OO). The nature of the substituents (R,R' = H, CH 3 , CH=CH 2 ) and conformations of the Criegee intermediates control their subsequent chemistry in the atmosphere. In particular, unimolecular decay of MVK-OO is predicted to be the major source of hydroxyl radicals (OH) in isoprene ozonolysis. Our study reports the initial laboratory synthesis and direct detection of MVK-OO through reaction of a photolytically generated, resonance-stabilized monoiodoalkene radical with O 2 . MVK-OO is characterized utilizing infrared (IR) action spectroscopy, in which IR activation of MVK-OO with two quanta of CH stretch at ca. 6000 cm –1 is coupled with ultraviolet detection of the resultant OH products. MVK-OO is identified by comparison of the experimentally observed IR spectral features with theoretically predicted IR absorption spectra. For syn -MVK-OO, the rate of appearance of OH products agrees with the unimolecular decay rate predicted using statistical theory with tunneling. This validates the hydrogen atom transfer mechanism and computed transition-state barrier (18.0 kcal mol –1 ) leading to OH products. Theoretical calculations display a further roaming pathway between the separating radical fragments, which results in other products. Master equation modeling yields a thermal unimolecular decay rate for syn -MVK-OO of 33 s –1 (298 K, 1 atm). For anti -MVK-OO, theoretical exploration of several unimolecular decay pathways predicts that isomerization to dioxole is the most likely initial step to products.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Dynamic computational optical fringe mitigation in tunable laser absorption spectroscopy

In optical spectroscopic systems where unwanted optical scattering cannot be eliminated, Fabry-Pérot etalons cause unpredictable changes in the spectral background. Frequent system calibration is then required to maintain the desired measurement accuracy, which presents a major limitation to the spectrometer. We introduce a computational approach to mitigate the adverse effects of optical fringing without hardware modifications. Motivated by experimental observations of complicated fringe behaviors, we simplify the problem by decomposing the fringe background into component etalons that can be addressed according to their individual characteristics. The effectiveness of the proposed method is demonstrated on a silicon photonic methane sensor, where accurate measurements of methane concentration are obtained from spectral data strongly affected by optical fringes.

Teng, Chu C. (ORCID:0000000152744835)↗

Green Button Extensibility Assessment

In September 2011, the federal government announced a “call to action” to create a mechanism to enable utility consumers to download their energy usage history from their utilities’ secure websites in a standardized electronic format. That effort was christened the Green Button initiative, drawing on the success of the Blue Button initiative delivered by the US Department of Defense in 2009 as a secure, online access mechanism to download patient health information through the TriCare online portal.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Planetary Nebulae with Supporting IR Data

We present new HST/WFPC2 imagery for the planetary nebula (PN) NGC 6818. Observations were made in line filters F437N, F487N, F502N, and F656N plus continuum filter F547M. The primary goal was to develop a high spatial resolution (approx. 0.1 in.) map of the intrinsic line ratio [O III] 4363/5007 and thereby evaluate the electron temperature (T(sub e)) and the mean-square T(sub e) variation (t(sup 2) across the PN. In this process we developed an extinction map from the F487N (H(beta)) and F656N (H(alpha)) images by comparing the observed line ratios in each pixel to the theoretical ratio and computing a c(H(beta)) map which was used to correct the observed 4363/5007 ratios for reddening. We also adjust for the continuum contribution to the line filter data. We present color-coded pictures of the reddening (c(H(beta))) map, the [O III] T(sub e) map, as well as our determinations of t(sup 2). The T(sub e) map shows a decline from approx. 14000 K in the inner regions to approx. 11000 K at the outer edge. Such a radial T(sub e) gradient is expected for a high-excitation nebula with a prominent He(++) zone such as NGC 6818. A composite of images taken in 3 filters (F656N, red; F487N, blue; and F502N, [O III] 5007, green) shows a roughly spherical outer envelope as well as a brighter vase-shaped interior "bubble". There is a prominent orifice to the North and a smaller one to the South, along the major axis, possibly caused by a blow-out from a fast wind. This nebula has an appearance remarkably similar to that of the PN NGC 3918 previously imaged with HST by H. Bond. We note from the continuum images (F547M) two stars in the nebular field that are fainter than the prominent central star; these are roughly 2-4 sec. N and NE of the central star. Further study is needed to establish whether or not there may be a physical association of either star with the central star.

Harrington, J. Patrick↗

Direct Reconstruction of Ablative Thermal Protection System Aeroheating Using A Green's Function Approach

A Green’s function inverse heat transfer (IHT) approach is used to reconstruct the surface heating conditions on ablative thermal protection system (TPS) materials from embedded heat flux sensor and temperature probe measurements. The approach models the temperature time-history at the measurement location as a discrete linear system, allowing for the heat flux boundary condition to be recovered directly without the need for time-marching schemes. The effects of material decomposition and pyrolysis gas transport are modeled using an energy source/sink analogue. The performance of the reconstruction approach is analyzed on a 1D test case representative of an atmospheric entry heating scenario. The approach can recover the TPS surface heat flux to within 4% of the input heating condition with a computation time of 2-3 seconds (>3 orders of magnitude faster than current time-marching IHT methods). As a byproduct of the surface heating reconstruction, the algorithm also captures the surface pyrolysis gas mass flux and solid decomposition at multiple through-thickness locations within the TPS.

Kenneth McAfee↗

HEP Software Foundation Community White Paper Working Group - Data Processing Frameworks

Data processing frameworks are an essential part of HEP experiments' software stacks. Frameworks provide a means by which code developers can undertake the essential tasks of physics data processing, accessing relevant inputs and storing their outputs, in a coherent way without needing to know the details of other domains. Frameworks provide essential core services for developers and help deliver a configurable working application to the experiments' production systems. Modern HEP processing frameworks are in the process of adapting to a new computing landscape dominated by parallel processing and heterogeneity, which pose many questions regarding enhanced functionality and scaling that must be faced without compromising the maintainability of the code. In this paper we identify a program of work that can help further clarify the key concepts of frameworks for HEP and then spawn R&D activities that can focus the community's efforts in the most efficient manner to address the challenges of the upcoming experimental program.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Improving Contrast and Resolution in Plant Root Imaging

Plants play a vital role in our agro-economy, serving as a food source for both humans and animals, as exploitable sources of 'green' energy, and carbon/nitrogen fixing organisms important for atmospheric health. Roots, often hidden from view, represent one of the major connections shared between plants and their environment. Enhancing our understanding of the process of root growth in the face of complex soil compositions, and abundances or shortages of both nutrients and available water, will enable researchers to develop or improve strategies to select on genetic traits that increase the likelihood of plant survival under stress. A major setback associated with the study of plant root structures in-situ has been the inability to view the root using standard optical methods. X-ray imaging has been used since the 1980's to produce images from 'simple' 2D attenuation contrast scans to 3D computed tomography generated volumes. A large majority of previous experimental analysis has been conducted with commercial x-ray systems designed for life-sciences and/or materials analysis applications. These commercial packages were never intended for use with targets composed mostly of inorganic materials resulting in information loss. We have investigated methods to optimize imaging contrast and resolution to help reveal the very small features of root systems embedded within varying soil substrates. (authors)

60 APPLIED LIFE SCIENCES↗

A real-space Green’s function method for thenumerical solution of Maxwell’s equations

A new method for solving the transverse part of the free-space Maxwell equations in three dimensions is presented. By taking the Helmholtz decomposition of the electric field and current sources and considering only the divergence-free parts, we obtain an explicit real-space representation for the transverse propagator that explicitly respects finite speed of propagation. Because the propagator involves convolution against a singular distribution, we regularize via convolution with smoothing kernels (B-splines) prior to sampling based on a method due to Beyer and LeVeque (1992). We show that the ultimate discrete convolutional propagator can be constructed to attain an arbitrarily high order of accuracy by using higher-order regularizing kernels and finite difference stencils and that it satisfies von Neumann’s stability condition. Furthermore, the propagator is compactly supported and can be applied using Hockney’s method (1970) and parallelized using the same observation as made by Vay, Haber, and Godfrey (2013), leading to a method that is computationally efficient.

Lo, Boris↗

Quantifying leaf symptoms of sorghum charcoal rot in images of field‐grown plants using deep neural networks

Abstract Charcoal rot of sorghum (CRS) is a significant disease affecting sorghum crops, with limited genetic resistance available. The causative agent, Macrophomina phaseolina (Tassi) Goid, is a highly destructive fungal pathogen that targets over 500 plant species globally, including essential staple crops. Utilizing field image data for precise detection and quantification of CRS could greatly assist in the prompt identification and management of affected fields and thereby reduce yield losses. The objective of this work was to implement various machine learning algorithms to evaluate their ability to accurately detect and quantify CRS in red‐green‐blue images of sorghum plants exhibiting symptoms of infection. EfficientNet‐B3 and a fully convolutional network emerged as the top‐performing models for image classification and segmentation tasks, respectively. Among the classification models evaluated, EfficientNet‐B3 demonstrated superior performance, achieving an accuracy of 86.97%, a recall rate of 0.71, and an F1 score of 0.73. Of the segmentation models tested, FCN proved to be the most effective, exhibiting a validation accuracy of 97.76%, a recall rate of 0.68, and an F1 score of 0.66. As the size of the image patches increased, both models’ validation scores increased linearly, and their inference time decreased exponentially. This trend could be attributed to larger patches containing more information, improving model performance, and fewer patches reducing the computational load, thus decreasing inference time. The models, in addition to being immediately useful for breeders and growers of sorghum, advance the domain of automated plant phenotyping and may serve as a foundation for drone‐based or other automated field phenotyping efforts. Additionally, the models presented herein can be accessed through a web‐based application where users can easily analyze their own images.

Gonzalez, Emmanuel M.↗

Intermediate polaronic charge transport in organic crystals from a many-body first-principles approach

Abstract Charge transport in organic molecular crystals (OMCs) is conventionally categorized into two limiting regimes − band transport, characterized by weak electron-phonon (e-ph) interactions, and charge hopping due to localized polarons formed by strong e-ph interactions. However, between these two limiting cases there is a less well understood intermediate regime where polarons are present but transport does not occur via hopping. Here we show a many-body first-principles approach that can accurately predict the carrier mobility in this intermediate regime and shed light on its microscopic origin. Our approach combines a finite-temperature cumulant method to describe strong e-ph interactions with Green-Kubo transport calculations. We apply this parameter-free framework to naphthalene crystal, demonstrating electron mobility predictions within a factor of 1.5−2 of experiment between 100 and 300 K. Our analysis reveals the formation of a broad polaron satellite peak in the electron spectral function and the failure of the Boltzmann equation in the intermediate regime.

36 MATERIALS SCIENCE↗

Active Learning of Microgrid Frequency Dynamics Using Neural Ordinary Differential Equations

Accurate frequency modelling of inverter‐based resource (IBR)‐dominated power systems is crucial for ensuring stable, reliable and resilient operations, particularly given their inherent low‐inertia characteristics and fast dynamics that traditional swing equation‐based models inadequately capture. This paper explores neural ordinary differential equations (Neural ODEs) as a computationally efficient, data‐driven framework for modelling power system frequency dynamics, specifically within microgrids integrating high penetrations of distributed energy resources (DERs). The developed neural ODEs framework incorporates a neural network architecture designed to capture input dynamics. By actively perturbing the system with a known signal, the Python‐based neural ODEs framework was trained using measured system states and inputs, without the need for detailed system information. The framework, tested on a model of the Cordova, AK, microgrid, achieved a goodness of fit ranging from 60% to 99% across different state variables and maintained a mean square error in the 10 -6 p.u. range under square and step excitation signals. The proposed approach demonstrated robustness to measurement noise and initial condition variations while maintaining low computational complexity suitable for real‐time power system control applications. Furthermore, transfer learning enabled the neural ODEs model to adapt to the following changes in system topology or generator dispatch, highlighting its effectiveness for dynamic microgrids with frequently evolving configurations and diverse DERs.

Aryal, Tara [South Dakota State Univ., Brookings, ↗

Forbidden coronal iron line images of Puppis A - Cloud evaporation or shocked cloud?

Calibrated CCD images of the eastern X-ray knot in Puppis A, made in the forbidden red and green coronal Fe lines, are discussed. They show the high-temperature gas to have a rich morphology, with the scale of some features approaching the 2.6 arcsec resolution of the data. The pictures have been compared with an Einstein HRI soft X-ray image; there is close correspondence in the position and size of structures seen in the optical forbidden lines and in the X-rays. Located near the shock front a cloud of about 0.4 pc x 0.9 pc dimension shines brilliantly in the 5303 A line. To test the hypothesis that the cloud might be evaporating into the remnant interior, the 5303 A and 6374 A intensity distributions expected for a steady state, one-fluid evaporatig model have been computed.

Teske, Richard G.↗