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At least 559 records · Page 31

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NASA NTRS2015

Stratospheric Benzene and Hydrocarbon Aerosols Detected in Saturn's Auroral Regions

Context. Saturn's polar upper atmosphere exhibits significant auroral activity; however, its impact on stratospheric chemistry (i.e. the production of benzene and heavier hydrocarbons) and thermal structure remains poorly documented. Aims. We aim to bring new constraints on the benzene distribution in Saturn's stratosphere, to characterize polar aerosols (their vertical distribution, composition, thermal infrared optical properties), and to quantify the aerosols' radiative impact on the thermal structure. Methods. Infrared spectra acquired by the Composite Infrared Spectrometer (CIRS) on board Cassini in limb viewing geometry are analysed to derive benzene column abundances and aerosol opacity profiles over the 3 to 0.1 mbar pressure range. The spectral dependency of the haze opacity is assessed in the ranges 680-900 and 1360-1440 cm(exp −1). Then, a radiative climate model is used to compute equilibrium temperature profiles, with and without haze, given the haze properties derived from CIRS measurements. Results. On Saturn's auroral region (80 deg S), benzene is found to be slightly enhanced compared to its equatorial and mid-latitude values. This contrasts with the Moses & Greathouse (2005, J. Geophys. Res., 110, 9007) photochemical model, which predicts a benzene abundance 50 times lower at 80◦S than at the equator. This advocates for the inclusion of ion-related reactions in Saturn's chemical models. The polar stratosphere is also enriched in aerosols, with spectral signatures consistent with vibration modes assigned to aromatic and aliphatic hydrocarbons, and presenting similarities with the signatures observed in Titan's stratosphere. The aerosol mass loading at 80 deg S is estimated to be 1−4 × 10(exp −5) g cm(exp −2), an order of magnitude less than on Jupiter, which is consistent with the order of magnitude weaker auroral power at Saturn.We estimate that this polar haze warms the middle stratosphere by 6 K in summer and cools the upper stratosphere by 5 K in winter. Hence, aerosols linked with auroral activity can partly account for the warm polar hood observed in Saturn's summer stratosphere.

satellites↗

DOE OSTI2020

IIA Incremental Interval Assignment

IIA is a solver for optimizing integer matrix problems Ax=b. It was developed to decide the number of mesh edges on model curves (intervals) for quad and hex meshing. Meshing schemes impose constraints ranging from the mild requirement (i.e. that any quad mesh must have an even number of edges on its boundary) to structured mapped patches where opposite sides of a rectangle must have exactly equal numbers of edges. Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525. SAND2020-13618 M

MItchell, Scott↗

DOE OSTI2025

Global River Topology (GRIT): A Bifurcating River Hydrography

Existing global river networks underpin a wide range of hydrological applications but do not represent channels with divergent river flows (bifurcations, multi‐threaded channels, canals), as these features defy the convergent flow assumption that elevation‐derived networks (e.g., HydroSHEDS, MERIT Hydro) are based on. Yet, bifurcations are important features of the global river drainage system, especially on large floodplains and river deltas, and are also often found in densely populated regions. Here we developed the first raster and vector‐based Global RIver Topology that not only represents the tributaries of the global drainage network but also the distributaries, including multi‐threaded rivers, canals and deltas. We achieve this by merging a 30 m Landsat‐based river mask with elevation‐generated streams to ensure a homogeneous drainage density outside of the river mask for rivers narrower than approximately 30 m. Crucially, we employ the new 30 m digital terrain model, FABDEM, based on TanDEM‐X, which shows greater accuracy over the traditionally used SRTM derivatives. After vectorization and pruning, directionality is assigned by a series of elevation, flow angle and continuity approaches. The new global network and its attributes are validated using gauging stations, comparison with existing networks, and randomized manual checks. The new network represents 19.6 million km of streams and rivers with drainage areas greater than 50 km 2 and includes 67,495 bifurcations. With the advent of hyper‐resolution modeling and artificial intelligence, GRIT is expected to greatly improve the accuracy of many river‐based applications such as flood forecasting, water availability and quality simulations, or riverine habitat mapping.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS2003

Tropospheric Wind Observations with Doppler Lidars

Simpson Weather Associates has continued its efforts on the tools which operate the DLSM's s line-of-sight output products file. Due to the long model run times which were revealed in last month's benchmark tests, four model options for the LSM's atmospheric inputs are now included in the LSM. The user can choose to either spatially and/or temporally interpolate the inputs or use inputs closest to the DWL shot. A problem in the terrain assignment from the GADS was corrected. A database conversion tool was added to convert DWL line-of-sight ASCII files into database format for the graphic display models. Efforts have continued in simulating DWL horizontal wind components using the DAO ficcm Nature Run. Experiments 2 and 3 (40 days worth) were completed and sent to the DAO for their use in bracketing OSSE experiments. In addition, in order to investigate differences in the way regional (MM5) and global scale (ECMWF T213) models treat features such as clouds and subgrid scale variability, a gridded Mesoscale Atmospheric Data Set (MADS) was created and ready to be incorporated into simulation experiments.

Source record↗

DOE OSTI2026

Structural Propensities in Cs2MBiX6 (M=Na, Ag; X=Cl, Br) Bismuth Halide Double Perovskites

A previously unreported low-temperature phase transition in the bismuth halide double perovskite Cs2AgBiCl6 is reported, thereby establishing trends in the structural ground state across Cs2NaBiCl6, Cs2AgBiCl6, and Cs2AgBiBr6. Using the combined toolkit of variable-temperature synchrotron X-ray and neutron powder diffraction, Raman spectroscopy, and density-functional theory–based electronic structure modeling, we demonstrate a cubic Fm¯3m → tetragonal I4/m transition upon cooling with distinct onset temperatures. Neutron powder diffraction refinements permit the unambiguously assignment of the low-temperature phase of Cs2NaBiCl6 to I4/m, correcting prior reports of an I4/mmm ground state. Cs2AgBiCl6 is also found to transforms to a structure crystallizing in the I4/m space group at low temperatures. Temperaturedependent Raman data and density-functional theory-based modeling capture the softening and freezing of out-of-phase octahedral-tilt modes and quantify relative instabilities. Solid-state nuclear magnetic resonance spectroscopy at room temperature completes the characterization and helps underpin the subtle differences in covalency across the compounds. Trends in the phase transition temperature Ts and tilt magnitudes emerge from coupled effects of halide identity, M(I)–site bonding character, and a mismatch between interatomic distances. These results establish the structure– dynamics–bonding framework for tuning tilt-driven instabilities in halide double perovskites.

Tian, Haowen↗

DOE OSTI2025

Replace Human Intelligence with Fast and Smart Geometric Reasoning and Graph Neural Network to Accelerate Next Gen ModSim Workflows

We present an agent-guided approach to CAD geometry decomposition that automates hex/hybrid meshing with graph neural networks (GNNs) to accelerate next-generation ModSim workflows. Our end-to-end pipeline (i) reduces 3D boundary-representation (B-Rep) models to a 2D chordal axis skeleton (CAT) and then to a 1D bipartite graph of surface and curve nodes, (ii) assigns per node labels as Cubit® WebCut actions, (iii) trains a multi-action GNN under supervised learning, and (iv) predicts five surface-node and three curve-node actions on out-of-distribution test geometries. Each graph node carries geometric, topological, and meshing attributes drawn from the B-Rep “skin” and CAT “skeleton,” with two-way mappings across 3D↔2D↔1D representations to maintain traceability back to 3D CAD. The supervised learning model exhibits stable convergence of the binary cross-entropy loss and achieves 98.7% accuracy on unseen lattice models. To operationalize decision-making, we rank predicted commands by geometric significance and prototyped the agent-guided workflow through the Cubit® Meshing PowerTool GUI. As a stretch goal, we explore reinforcement learning (RL) to reduce or remove label requirements and to learn policies for action sequences that maximize total reward (e.g., size of hex-meshable regions and resulting hex mesh quality). When all-hex meshing is not feasible, the agent assists in producing hybrid meshes—prioritizing hex in critical regions and transitioning to tetrahedral elements (tets) elsewhere—maintaining fidelity while ensuring robustness. The overarching objective is to replace manual, heuristics-based decomposition with data-driven, reproducible automation, cutting meshing turnaround time by orders of magnitude. We anticipate direct impact on simulation workflows through intelligent, scalable decomposition of complex CAD models into hex-meshable subdomains.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Closing the Loop between In Situ Stress Complexity and EGS Fracture Complexity

42 ENGINEERING↗

DOE OSTI2023

Decomposition of liquid-liquid extraction organic phase structure into critical and pre-peak contributions

Solution nanostructure induced by amphiphile self-association plays an important role in various chemical and physical processes, including liquid-liquid extraction (LLE). Small angle scattering techniques are an essential means of probing this structure, but, due to non-uniqueness of scattering patterns, their interpretation is not trivial. Here, in this study, we decompose small angle x-ray scattering (SAXS) patterns for a range of binary LLE organic phases into two components: Ornstein-Zernike and pre-peak contributions resulting from, respectively, critical concentration fluctuations and packing of the amphiphilic extractant molecules in the nonpolar aliphatic diluent. While we previously applied Ornstein-Zernike scattering models to similar organic phases, including the pre-peak explicitly in the fit allows us to measure weak fluctuations at high extractant concentration and simultaneously obtain information on the position and intensity of the correlation peak related to amphiphile packing. Scattering patterns and partial structure factors calculated from molecular dynamics simulations support this interpretation. We demonstrate how this minimal scattering model describes nanostructuring for a large number of extractant types over their entire extractant/diluent composition ranges, suggesting simple and universal behavior. The straightforward assignment of these structural contributions facilitates the comparison of these features between different classes of extractant molecules and will enable further studies of organic phase aggregation. Applicability to more complex, process-relevant organic phases is illustrated with post-contact organic phases containing significant quantities of extracted lanthanide nitrate salt, which we find are readily described by this model.

74 ATOMIC AND MOLECULAR PHYSICS↗

NASA NTRS1983

Modeling of flexible structures for active control

If a flexible structure has a plane of symmetry, the equations of motion can be split into two uncoupled sets, one for symmetrical motions and one for anti-symmetric motions. If there are m controls, it is often convenient to assign the linear combinations of controls that enter into the m lowest frequency modes and new controls. As an example the feed-support structure of a spacecraft antenna is considered. It is modeled as a tetrahedron made up of flexible bars and connected to the spacecraft by six short flexible legs containing force actuators and displacement sensors. Due to the three-sided symmetry of this structure, both the symmetric and the anti-symmetric equations of motion can be decoupled into two subsystems. The resulting four subsystems are: (1) pitch/fore-aft motions with four degrees of freedom (DOF), two controls, and one output (the fore-aft motion of the feed); (2) vertical motions with three DOF, one control, and one output (the vertical motion of the feed); (3) roll/lateral motions with four DOF, two controls, and one output (the lateral motions of the feed); and (4) yaw motion with one DOF, one control, and no output (the feed does not move during yaw motion).

Bryson, A. E., Jr.↗

NASA NTRS1998

Application of Fresnel Zone to Cross Talk

Unintentional radiation results in cross coupling to nearby cables. As frequency increases, the amount of this coupling becomes significant especially in high speed data transmission and space lab experiments. There has been a considerable amount of research to model this radiation and design the electronic equipment accordingly so that operation of space lab instruments will be immune to unwanted radiation. Here at MSFC, the Electromagnetics and Aerospace Environment Branch has the responsibility to analyze, test, and make the necessary recommendation as to the safe operation of instruments used in the space program. Rules, regulation, and limits as set by this group are published in Electromagnetic Compatibility Design and Interference Control (MEDIC) Handbook. This document contains both conducted and radiate emission rules and limits are set by NASA. However cross coupling have not been included. At the time of assigning the research task for the author, the Group decided that a more in-depth investigation of Near Field is needed before establishing a set of rules and limits for cross coupling. Thus this task was assigned to the author with hope that his work will be more beneficial to NASA's Space mission experiments. The model and the method which will be described shortly is intended to improve the present approach of this Group and suggests a method for measuring the cross field coupling capacitance.

Javan, Hank↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

This dataset contains the figures and tabulated results generated from a system-level optimization study of transit fleet electrification planning. The dataset does not include executable modeling code required to reproduce the optimization. The dataset includes results for optimized charging infrastructure deployment by location and power level and service block assignments by fuel type, battery capacity selections, and distributed energy resource sizing. It also contains aggregated financial results, capital expenditures, operating cost summaries, net present cost comparisons across scenarios, and quantified air quality impacts. Results are structured to reflect multiple planning scenarios, including heuristic electrification plans, system-optimized configurations, and sensitivity cases with alternative objective weightings. The modeling was developed using publicly available General Transit Feed Specification data from Omnitrans and standardized modeling assumptions.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2026

Dataset for Blueprinting Electrified Transit System Implementation

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1996

Simulation of Two-Fluid Flows by the Least-Squares Finite Element Method Using a Continuum Surface Tension Model

In this paper a numerical procedure for simulating two-fluid flows is presented. This procedure is based on the Volume of Fluid (VOF) method proposed by Hirt and Nichols and the continuum surface force (CSF) model developed by Brackbill, et al. In the VOF method fluids of different properties are identified through the use of a continuous field variable (color function). The color function assigns a unique constant (color) to each fluid. The interfaces between different fluids are distinct due to sharp gradients of the color function. The evolution of the interfaces is captured by solving the convective equation of the color function. The CSF model is used as a means to treat surface tension effect at the interfaces. Here a modified version of the CSF model, proposed by Jacqmin, is used to calculate the tension force. In the modified version, the force term is obtained by calculating the divergence of a stress tensor defined by the gradient of the color function. In its analytical form, this stress formulation is equivalent to the original CSF model. Numerically, however, the use of the stress formulation has some advantages over the original CSF model, as it bypasses the difficulty in approximating the curvatures of the interfaces. The least-squares finite element method (LSFEM) is used to discretize the governing equation systems. The LSFEM has proven to be effective in solving incompressible Navier-Stokes equations and pure convection equations, making it an ideal candidate for the present applications. The LSFEM handles all the equations in a unified manner without any additional special treatment such as upwinding or artificial dissipation. Various bench mark tests have been carried out for both two dimensional planar and axisymmetric flows, including a dam breaking, oscillating and stationary bubbles and a conical liquid sheet in a pressure swirl atomizer.

Wu, Jie↗

DOE OSTI2022

Raman and infrared spectra of plutonium (IV) oxalate and its thermal degradation products

For over 80 years, plutonium dioxide has been routinely produced via thermal decomposition of hydrated plutonium(IV) oxalate. Despite the longstanding utility of this process, the chemical structures of starting materials and intermediates produced during this thermal conversion remain ill-defined. To help resolve this uncertainty, we measured high-resolution Raman and infrared spectra of Pu(C 2 O 4 ) 2 ·6H 2 O that was heated to 25, 100, 220, 250, 350, and 450 °C in air. Our measurements show that Pu(C 2 O 4 ) 2 ·6H 2 O has a rich vibrational spectrum with at least 15 Raman bands between 180 cm -1 and 1900 cm -1 and 9 infrared bands between 800 cm -1 and 4000 cm -1 . As Pu(C 2 O 4 ) 2 ·6H 2 O is heated, water is liberated, and the oxalate ligand decomposes to produce plutonium oxycarbide species. When heated to 350 °C or higher, vibrational spectra are consistent with PuO 2 with some residual carbon-containing species. Full vibrational spectra, powder X-ray diffraction, and scanning electron microscopy measurements of Pu(C 2 O 4 ) 2 ·6H 2 O and its thermal degradation products are presented herein along with approximate assignments for observed spectral bands. These data can be used to validate and potentially improve existing computational models that describe the chemical structure of compounds produced during thermal degradation of plutonium (IV) oxalate. Given the utility of plutonium (IV) oxalate in synthesizing plutonium dioxide, these results are expected to provide value in the fields of nuclear fuel processing, nuclear nonproliferation, and nuclear forensics.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2025

Visualizing Stereodynamics in Cold Collisions through Shape Resonance Wavefunctions

Shape resonances in cold collisions are often strongly affected by stereodynamics. These resonances can sometimes be assigned by single-channel quantization along the scattering coordinate. However, sensitive steric control of collision implies strong anisotropy of the interaction potential energy surface, which usually leads to coupling among multiple scattering channels in the strongly interacting region. Hence, the resonances might be the result of quantization in a multidimensional space. Using the cold rotationally inelastic collision between para-H 2 (v 1 = 1, j 1 = 2) and HF (v 2 = 0, j 2 = 0) as an example, we analyze four low-lying shape resonances via diagonalization of the full-dimensional Hamiltonian with a stabilization method. While some resonances can indeed be assigned with a single partial wave, others apparently involve more than one scattering channel. Furthermore, a new model based on these resonance wavefunctions is developed to better understand the stereodynamics through shape resonances in cold collisions.

Collisions↗

DOE OSTI2021

First β-decay spectroscopy of 135 In and new β-decay branches of 134 In

The β decay of the neutron-rich 134 In and 135 In was investigated experimentally in order to provide new insights into the nuclear structure of the tin isotopes with magic proton number Z=50 above the N=82 shell. The β-delayed γ-ray spectroscopy measurement was performed at the ISOLDE facility at CERN, where indium isotopes were selectively laser-ionized and on-line mass separated. Three β-decay branches of 134 In were established, two of which were observed for the first time. Population of neutron-unbound states decaying via γ rays was identified in the two daughter nuclei of 134 In, 134 Sn and 133 Sn, at excitation energies exceeding the neutron separation energy by 1 MeV. The β-delayed one- and two-neutron emission branching ratios of 134 In were determined and compared with theoretical calculations. The β-delayed one-neutron decay was observed to be dominant β-decay branch of 134 In even though the Gamow-Teller resonance is located substantially above the two-neutron separation energy of 134 Sn. Transitions following the β decay of 135 In are reported for the first time, including γ rays tentatively attributed to 135 Sn. In total, six new levels were identified in 134 Sn on the basis of the βγγ coincidences observed in the 134 In and 135 Inβ decays. A transition that might be a candidate for deexciting the missing neutron single-particle 13/2 + state in 133 Sn was observed in both β decays and its assignment is discussed. Experimental level schemes of 134 Sn and 135 Sn are compared with shell-model predictions. Using the fast timing technique, half-lives of the 2 + , 4 + , and 6 + levels in 134 Sn were determined. From the lifetime of the 4 + state measured for the first time, an unexpectedly large B(E2;4 + → 2 + ) transition strength was deduced, which is not reproduced by the shell-model calculations.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Physical-mass calculation of ρ ( 770 ) and K * ( 892 ) resonance parameters via π π and K π scattering amplitudes from lattice QCD

We present our study of the ρ ( 770 ) and K * ( 892 ) resonances from lattice quantum chromodynamics (QCD) employing domain-wall fermions at physical quark masses. We determine the finite-volume energy spectrum in various momentum frames and obtain phase-shift parametrizations via the Lüscher formalism and as a final step the complex resonance poles of the π π and K π elastic scattering amplitudes via an analytical continuation of the models. By sampling a large number of representative sets of underlying energy-level fits, we also assign a systematic uncertainty to our final results. This is a significant extension to data-driven analysis methods that have been used in lattice QCD to date, due to the two-step nature of the formalism. Our final pole positions, M + i Γ / 2 , with all statistical and systematic errors exposed, are M K * = 893 ( 2 ) ( 8 ) ( 54 ) ( 2 ) MeV and Γ K * = 51 ( 2 ) ( 11 ) ( 3 ) ( 0 ) MeV for the K * ( 892 ) resonance and M ρ = 796 ( 5 ) ( 15 ) ( 48 ) ( 2 ) MeV and Γ ρ = 192 ( 10 ) ( 28 ) ( 12 ) ( 0 ) MeV for the ρ ( 770 ) resonance. The four differently grouped sources of uncertainties are, in the order of occurrence: statistical, data-driven systematic, an estimation of systematic effects beyond our computation (dominated by the fact that we employ a single lattice spacing), and the error from the scale-setting uncertainty on our ensemble. Published by the American Physical Society 2025

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

DOE OSTI2022

ccp137/SUGAR

This package (SUrface-wave Grader with ARtificial intelligence or SUGAR) automatically assigns a quality score to surface-wave seismograms (SAC format) using a trained artificial neural network model (included). Specifically, the python script 01_apply_ann.py calculates probability scores for a list of SAC files. You may consider seismograms with probability scores larger than 0.5 as acceptable data. Note no scores will be given to seismograms that do not pass an initial check (e.g., insufficient number of data points). See https://doi.org/10.1002/essoar.10507941.3 for more details.

Chai, Chengping [Oak Ridge National Lab. (ORNL), O↗