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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 1,531 records · Page 85

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DOE OSTI2018

A rare positively charged nicotinic acid disulfide: 2,2'-dithiodinicotinic acid hydrochloride monohydrate

2-Mercaptonicotinic acid (2-mnaH) is commonly used as a multi-dentate ligand. It is a flexible hard/soft ligand, capable of binding via a carboxylate oxygen and sulfur, or nitrogen and sulfur on a single metal site. This flexibility has been exploited in a variety of reactions with hard and soft metals to produce diverse structures. Mercaptonicotinic acid complexes with silver(I) and gold(I) have proven anti-microbial properties, while transition metal–mna clusters have provided fertile ground for luminescence studies. In some extraordinary cases, all three potential binding sites of 2-mna coordinate to metal centers. 2-mnaH tends to form disulfide bonds with itself in neutral solutions, and these dimers have provided interesting coordination modes with the lanthanides, as have related 2,2'-dithiodisalicylic acid compounds. Disulfide formation is typically inhibited by the use of acidic solution, and these non-dimerized species often feature protonated nitrogens. It is therefore quite unusual to have a disulfide bond form from a solution acidic enough to make a nicotinium species.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2021

Manatee County Clear Sky Assessment Process: Prioritizing Solar + Storage for Resilient Facilities & Communities

The Clear Sky Tampa Bay project was a 15-month collaborative research effort to support solar + storage deployment for community resilience in Florida. The Clear Sky Decision Support Toolkit is a collection of resources designed to support users in conducting solar + storage prioritization and feasibility screening assessments at critical facilities. The Tampa Bay Regional Planning Council worked with four local governments in the region to test and apply the Toolkit. This case study series describes how each partner government used the Toolkit and highlights key insights and lessons learned that other users could follow to replicate the process. Manatee County applied the Clear Sky Decision Support Toolkit to two of the county's critical facilities: Nolan Middle School, which serves as a special needs emergency shelter, and its Public Safety Complex (PSC), which houses critical services including emergency management, communications, and medical services, traffic control, and more. The PSC serves as the Emergency Operations Center during activation events. The Clear Sky assessment process improved interagency communication and coordination and informed siting decisions for a potential solar + storage system for the Manatee County PSC.

14 SOLAR ENERGY↗

DOE OSTI2023

Examining Interactions of Uranyl(VI) Ions with Amino Acids in the Gas Phase

Gas-phase experiments, using electrospray ionization quadrupole ion trap mass spectrometry (ESI-QIT/MS), were conducted to probe basic interactions of the uranyl(VI) ion, UO 2 2+ , with selected natural amino acids, namely, L-cysteine (Cys), L-histidine (His), and L-aspartic acid (Asp), which strongly bind to metal ions. The simplest amino acid, glycine (Gly), was also studied for comparison. Cys, His, and Asp have additional potentially coordinating groups beyond the amino and carboxylic acid functional groups, specifically thiol in Cys, imidazole in His, and a second carboxylate in Asp. Gas-phase experiments comprised collision-induced dissociation (CID) of uranyl–amino acid complexes and competitive CID to assess the relative binding strength of different amino acids in the same uranyl complex. Reactivity of selected uranyl–amino acid complexes with water provided further insights into relative stabilities. In positive ion mode, CID and ensuing reactions with water suggested that uranyl–neutral AA binding strength decreased in the order His > Asp > Cys > Gly, which is similar to amino acid proton affinities. In negative ion mode, CID revealed a decreasing dissociation tendency in the order Gly >> His ≈ Cys > Asp, presumably reflecting a reverse enhanced binding to uranyl of the doubly deprotonated amino acids formed in CID.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

NASA NTRS1972

Large-deformation modal coordinates for nonrigid vehicle dynamics

The derivation of minimum-dimension sets of discrete-coordinate and hybrid-coordinate equations of motion of a system consisting of an arbitrary number of hinge-connected rigid bodies assembled in tree topology is presented. These equations are useful for the simulation of dynamical systems that can be idealized as tree-like arrangements of substructures, with each substructure consisting of either a rigid body or a collection of elastically interconnected rigid bodies restricted to small relative rotations at each connection. Thus, some of the substructures represent elastic bodies subjected to small strains or local deformations, but possibly large gross deformations, in the hybrid formulation, distributed coordinates referred to herein as large-deformation modal coordinates, are used for the deformations of these substructures. The equations are in a form suitable for incorporation into one or more computer programs to be used as multipurpose tools in the simulation of spacecraft and other complex electromechanical systems.

Likins, P. W.↗

NASA NTRS1987

Numerical simulation of flow path in the oxidizer side hot gas manifold of the Space Shuttle main engine

The purpose of this study is to examine in detail incompressible laminar and turbulent flows inside the oxidizer side Hot Gas Manifold of the Space Shuttle Main Engine. To perform this study, an implicit finite difference code cast in general curvilinear coordinates is further developed. The code is based on the method of pseudo-compressibility and utilize ADI or implicit approximate factorization algorithm to achieve computational efficiency. A multiple-zone method is developed to overcome the complexity of the geometry. In the present study, the laminar and turbulent flows in the oxidizer side Hot Gas Manifold have been computed. The study reveals that: (1) there exists large recirculation zones inside the bowl if no vanes are present; (2) strong secondary flows are observed in the transfer tube; and (3) properly shaped and positioned guide vanes are effective in eliminating flow separation.

Lin, S. J.↗

NASA NTRS1989

Definition of NASTRAN sets by use of parametric geometry

Many finite element preprocessors describe finite element model geometry with points, lines, surfaces and volumes. One method for describing these basic geometric entities is by use of parametric cubics which are useful for representing complex shapes. The lines, surfaces and volumes may be discretized for follow on finite element analysis. The ability to limit or selectively recover results from the finite element model is extremely important to the analyst. Equally important is the ability to easily apply boundary conditions. Although graphical preprocessors have made these tasks easier, model complexity may not lend itself to easily identify a group of grid points desired for data recovery or application of constraints. A methodology is presented which makes use of the assignment of grid point locations in parametric coordinates. The parametric coordinates provide a convenient ordering of the grid point locations and a method for retrieving the grid point ID's from the parent geometry. The selected grid points may then be used for the generation of the appropriate set and constraint cards.

Baughn, Terry V.↗

NASA NTRS1989

A patched-grid algorithm for complex configurations directed towards the F-18 aircraft

A patched-grid algorithm for the analysis of complex configurations with an implicit, upwind-biased Navier-Stokes solver is presented. Results from both a spatial-flux and a time-flux conservation approach to patching across zonal boundaries are presented. A generalized coordinate transformation with a biquadratic geometric element is used at the zonal interface in order to treat highly stretched viscous grids and arbitrarily-shaped zonal boundaries. Applications are made to the F-18 forebody-strake configuration at subsonic, high-alpha conditions. Computed surface flow patterns compare well with ground-based and flight-test results; the large effect of Reynolds number on the forebody flowfield is shown.

Thomas, James L.↗

NASA NTRS1990

Application of a patched-grid algorithm to the F/A-18 forebody-leading-edge extension configuration

A patched-grid algorithm for the analysis of complex configurations with an implicit, upwind-biased Navier-Stokes solver is presented. Results from both a spatial-flux and a time-flux conservation approach to patching across zonal boundaries are presented. A generalized coordinate transformation with a biquadratic geometric element is used at the zonal interface in order to treat highly stretched viscous grids and arbitrarily shaped zonal boundaries. Applications are made to the F/A-18 forebody-Ieading-edge extension configuration at subsonic, high-alpha conditions. Computed surface flow patterns compare well with ground-based and flight-test results; the large effect of Reynolds number on the forebody flowfield is shown.

Leading edge extension↗

NASA NTRS1998

STS-90 Day 08 Highlights

On this eighth day of the STS-90 mission, the flight crew, Cmdr. Richard A. Searfoss, Pilot Scott D. Altman, and Mission Specialists Richard M. Linnehan, Dafydd Rhys Williams and Kathryn P. Hire, and Payload Specialists Jay C. Buckey and James A. Pawelczyk continue to operate the 26 individual experiments designed to provide insight into the operation of the nervous system, the most complex and least well-known part of the human body. The STS-90 crew members have used themselves as test subjects in a variety of experiments associated with studying functions such as blood pressure regulation , balance, coordination and sleep patterns. They also have studied a variety of animals to gain additional insight into the effects of the weightless environment of space on the development and performance of the nervous system.

Source record↗

NASA NTRS2002

A Biologically Inspired Cooperative Multi-Robot Control Architecture

A prototype cooperative multi-robot control architecture suitable for the eventual construction of large space structures has been developed. In nature, there are numerous examples of complex architectures constructed by relatively simple insects, such as termites and wasps, which cooperatively assemble their nests. The prototype control architecture emulates this biological model. Actions of each of the autonomous robotic construction agents are only indirectly coordinated, thus mimicking the distributed construction processes of various social insects. The robotic construction agents perform their primary duties stigmergically i.e., without direct inter-agent communication and without a preprogrammed global blueprint of the final design. Communication and coordination between individual agents occurs indirectly through the sensed modifications that each agent makes to the structure. The global stigmergic building algorithm prototyped during the initial research assumes that the robotic builders only perceive the current state of the structure under construction. Simulation studies have established that an idealized form of the proposed architecture was indeed capable of producing representative large space structures with autonomous robots. This paper will explore the construction simulations in order to illustrate the multi-robot control architecture.

Howsman, Tom↗

NASA NTRS1989

A Patched-Grid Algorithm for Complex Configurations Directed Towards the F/A-18 Aircraft

High alpha research vehicle↗

NASA NTRS1999

Composite Nozzle/Thrust Chambers Analyzed for Low-Cost Boosters

The Low Cost Booster Technology Program is an initiative to minimize the cost of future liquid engines by using advanced materials and innovative designs, and by reducing engine complexity. NASA Marshall Space Flight Center s 60K FASTRAC Engine is one example where these design philosophies have been put into practice. This engine burns a liquid kerosene/oxygen mixture. It uses a one-piece, polymer composite thrust chamber/nozzle that is constructed of a tape-wrapped silica phenolic liner, a metallic injector interface ring, and a filament-wound epoxy overwrap. A cooperative effort between NASA Lewis Research Center s Structures Division and Marshall is underway to perform a finite element analysis of the FASTRAC chamber/nozzle under all the loading and environmental conditions that it will experience during its lifetime. The chamber/nozzle is a complex composite structure. Of its three different materials, the two composite components have distinctly different fiber architectures and, consequently, require separate material model descriptions. Since the liner is tape wrapped, it is orthotropic in the nozzle global coordinates; and since the overwrap is filament wound, it is treated as a monoclinic material. Furthermore, the wind angle on the overwrap varies continuously along the length of the chamber/nozzle.

Sullivan, Roy M.↗

NASA NTRS2009

Diamond Machining of an Off-Axis Biconic Aspherical Mirror

Two diamond-machining methods have been developed as part of an effort to design and fabricate an off-axis, biconic ellipsoidal, concave aluminum mirror for an infrared spectrometer at the Kitt Peak National Observatory. Beyond this initial application, the methods can be expected to enable satisfaction of requirements for future instrument mirrors having increasingly complex (including asymmetrical), precise shapes that, heretofore, could not readily be fabricated by diamond machining or, in some cases, could not be fabricated at all. In the initial application, the mirror is prescribed, in terms of Cartesian coordinates x and y, by aperture dimensions of 94 by 76 mm, placements of -2 mm off axis in x and 227 mm off axis in y, an x radius of curvature of 377 mm, a y radius of curvature of 407 mm, an x conic constant of 0.078, and a y conic constant of 0.127. The aspect ratio of the mirror blank is about 6. One common, "diamond machining" process uses single-point diamond turning (SPDT). However, it is impossible to generate the required off-axis, biconic ellipsoidal shape by conventional SPDT because (1) rotational symmetry is an essential element of conventional SPDT and (2) the present off-axis biconic mirror shape lacks rotational symmetry. Following conventional practice, it would be necessary to make this mirror from a glass blank by computer-controlled polishing, which costs more than diamond machining and yields a mirror that is more difficult to mount to a metal bench. One of the two present diamond machining methods involves the use of an SPDT machine equipped with a fast tool servo (FTS). The SPDT machine is programmed to follow the rotationally symmetric asphere that best fits the desired off-axis, biconic ellipsoidal surface. The FTS is actuated in synchronism with the rotation of the SPDT machine to generate the difference between the desired surface and the best-fit rotationally symmetric asphere. In order to minimize the required stroke of the FTS, the blanks were positioned at a large off-axis distance and angle, and the axis of the FTS was not parallel to the axis of the spindle of the SPDT machine. The spindle was rotated at a speed of 120 rpm, and the maximum FTS speed was 8.2 mm/s.

Ohl, Raymond G.↗

NASA NTRS2026

Hydrology Copilot: A Cloud-Native Ai System for Hydrological Data Analysis

The emergence of AI-driven Earth observation systems promises to broaden access to petabyte-scale geospatial data beyond domain specialists. However, translating this vision into operational scientific infrastructure requires addressing fundamental challenges in data virtualization, code transparency, and domain-specific reasoning. We present Hydrology Copilot, a cloud-native AI framework for natural-language-driven analysis of Earth observation data. To demonstrate operational capabilities at scale, we implement the system using NASA's North American Land Data Assimilation System version 3 (NLDAS-3), which provides surface meteorological forcing and land-surface model output across North and Central America at 1-km resolution, from which drought diagnostics are derived. The system integrates five core contributions: (1) scalable data virtualization using Kerchunk-based cloud optimized access, achieving a 1.5 to 4.6 times improvement in I/O latency across benchmark queries spanning regional single-day extractions (4.6 times speedup) to continental monthly aggregations (1.5 times speedup); (2) transparent code generation through Microsoft Azure AI Foundry agents that expose executable Python workflows for scientific verification; (3) persistent conversational memory enabling multi-turn analytical discourse across sessions; (4) intelligent query validation that enforces dataset boundaries and resolves ambiguous requests before execution; and (5) a multi-agent architecture coordinating query parsing, code generation, and visualization. We evaluate the system through drought-monitoring workflows, demonstrating reliable code generation, accurate results validated against reference computations and the operational U.S. Drought Monitor, and efficient operation across increasingly complex tasks. By bridging natural-language interfaces with rigorous hydrological analysis, Hydrology Copilot advances beyond proof-of-concept demonstrations to provide a deployable framework for operational Earth science applications.

Data virtualization↗

DOE OSTI2023

Coordination of rooting, xylem, and stomatal strategies explains the response of conifer forest stands to multi-year drought in the southern Sierra Nevada of California

Abstract. Extreme droughts are a major determinant of ecosystem disturbance that impacts plant communities and feeds back into climate change through changes in plant functioning. However, the complex relationships between aboveground and belowground plant hydraulic traits and their role in governing plant responses to drought are not fully understood. In this study, we use a model, the Functionally Assembled Terrestrial Ecosystem Simulator in a configuration that includes plant hydraulics (FATES-Hydro), to investigate ecosystem responses to the 2012–2015 California drought in comparison with observations at a site in the southern Sierra Nevada that experienced widespread tree mortality during this drought. We conduct a sensitivity analysis to explore how different plant water sourcing and hydraulic strategies lead to differential responses during normal and drought conditions. The analysis shows the following. Deep roots that sustain productivity through the dry season are needed for the model to capture observed seasonal cycles of evapotranspiration (ET) and gross primary productivity (GPP) in normal years, and deep-rooted strategies are nonetheless subject to large reductions in ET and GPP when the deep soil reservoir is depleted during extreme droughts, in agreement with observations. Risky stomatal strategies lead to greater productivity during normal years as compared to safer stomatal control, but they also lead to a high risk of xylem embolism during the 2012–2015 drought. For a given stand density, stomatal and xylem traits have a stronger impact on plant water status than on ecosystem-level fluxes. Our study highlights the significance of resolving plant water sourcing strategies to represent drought impacts on plants and consequent feedbacks in models.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1984

A practical adaptive-grid method for complex fluid-flow problems

A practical solution, adaptive-grid method utilizing a tension and torsion spring analogy is proposed for multidimensional fluid flow problems. The tension spring, which connects adjacent grid points to each other, controls grid spacings. The torsion spring, which is attached to each grid node, controls inclinations of coordinate lines and grid skewness. A marching procedure was used that results in a simple tridiagonal system of equations at each coordinate line to determine grid-point distribution. Multidirectional adaptation is achieved by successive applications of one-dimensional adaptation. Examples of applications for axisymmetric afterbody flow fields and two dimensional transonic airfoil flow fields are shown.

Nakahashi, K.↗

DOE OSTI2026

Non-adiabatic quantum interference and complex formation in ultracold collisions of Rb with KRb

Ultracold elastic collisions of 87 Rb with 40 K 87 Rb in its ground vibrational and rotational state are investigated using a first principles based theoretical methodology. Full-dimensional ab initio computed potential energy surfaces are reported that include the two lowest-lying electronic states, their conical intersection, non-adiabatic couplings and an accurate long-range behavior. A numerically exact time-independent quantum dynamics method in hyperspherical coordinates is used to compute the elastic scattering cross sections, rate coefficients and collision lifetime spectrum. The quantum scattering calculations include all degrees of freedom and treat both electronic states and their non-adiabatic couplings using a two-state diabatic representation. The theoretically computed elastic rate coefficient is in good agreement with the recently reported experimental value. Significant non-adiabatic quantum interference effects are shown to originate from the unique properties of ultracold collisions and the geometric phase associated with the conical intersection. A high-resolution collision energy grid is used to investigate the origin of the experimentally reported long-lived 3-body collision complexes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

A Theory of Ultrafast Charge Transfer Relaxation with Non-Innocent Solvent Molecules

In this work we revisit the photodynamics of tetracyanoethylene-hexamethylbenzene (TCNE- HMB), the molecular complex studied by Hochstrasser et al. [J. Chem. Phys. 100, 4797–4810, 1994] that has long challenged the applicability of Marcus’s theory of elec- tron transfer for predicting photochemical reactions. Using a novel black-box electronic structure algorithm (time-dependent density functional theory with one double, TD- DFT-1D) to efficiently run molecular dynamics that can treat charge recombination, we run ab initio surface hopping molecular dynamics and confirm that, for a polar solvent, charge recombination rates can be incredibly fast (indeed faster than the sol- vent relaxation time); for non-polar solvents, the rate is much slower. We demonstrate that, although Marcus theory cannot be directly applied, these nonequilibrium (and sometimes incredibly fast) photoexcited dynamics can be effectively explained within a two-state model without any evidence of a transition through a conical intersection. Most importantly, for this paradigmatic model system, we are able to identify two nuclear coordinates of interest (rather than the single coordinate predicted by Marcus or a full set of internal quantum modes studied by Bixon and Jortner): the solvent relaxation in the first shell (that strongly modulates the energies of the charge trans- fer state and differentiates time scales for relaxation) and a nuclear displacement in the TCNE-HMB complex arising from a handful of vibrations that induces non-Born Oppenheimer motion and eventually facilitates an abrupt electronic transition to the ground state. Altogether, these findings suggest a tractable generalization of Marcus theory for future simulations of photochemistry with non-innocent solvent environ- ments in the spirit of a Hamiltonian suggested by Stuchebrukhov (J. Chem. Phys. 107, 3821, 1997).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗