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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
NASA NTRS1986

The SIMRAND methodology: Theory and application for the simulation of research and development projects

A research and development (R&D) project often involves a number of decisions that must be made concerning which subset of systems or tasks are to be undertaken to achieve the goal of the R&D project. To help in this decision making, SIMRAND (SIMulation of Research ANd Development Projects) is a methodology for the selection of the optimal subset of systems or tasks to be undertaken on an R&D project. Using alternative networks, the SIMRAND methodology models the alternative subsets of systems or tasks under consideration. Each path through an alternative network represents one way of satisfying the project goals. Equations are developed that relate the system or task variables to the measure of reference. Uncertainty is incorporated by treating the variables of the equations probabilistically as random variables, with cumulative distribution functions assessed by technical experts. Analytical techniques of probability theory are used to reduce the complexity of the alternative networks. Cardinal utility functions over the measure of preference are assessed for the decision makers. A run of the SIMRAND Computer I Program combines, in a Monte Carlo simulation model, the network structure, the equations, the cumulative distribution functions, and the utility functions.

Miles, R. F., Jr.↗
NASA NTRS1987

Attention in aviation

The relevance of four principles or mechanisms of human attention to the design of aviation systems and the performance of pilots in multitask environments, including workload prediction and measurement, control-display integration, and the use of voice and head-up displays is discussed. The principles are: the mental energy that supplies task performance (resources), the resulting cross-talk between tasks as they are made more similar (confusion), the combination of different task elements (integration), and the way in which one task is processed and another is ignored (selection or tunneling). The introduction of greater levels of complexity into the validation of attentional theories in order to approach the demands of the cockpit or ATC console is proposed.

Wickens, Christopher D.↗
NASA NTRS1991

Development of biomechanical models for human factors evaluations

Previewing human capabilities in a computer-aided engineering mode has assisted greatly in planning well-designed systems without the cost and time involved in mockups and engineering models. To date, the computer models have focused on such variables as field of view, accessibility and fit, and reach envelopes. Program outputs have matured from simple static pictures to animations viewable from any eyepoint. However, while kinematics models are available, there are few biomechanical models available for estimating strength and motion patterns. Those, such as Crew Chief, that are available are based on strength measurements taken in specific positions. Johnson Space Center is pursuing a biomechanical model which will use strength data collected on single joints at two or three velocities to attempt to predict compound motions of several joint simultaneously and the resulting force at the end effector. Two lines of research are coming together to produce this result. One is an attempt to use optimal control theory to predict joint motion in complex motions, and another is the development of graphical representation of human capabilities. The progress to date in this research is described.

Woolford, Barbara↗
NASA NTRS1991

Micromechanics for ceramic matrix composites

The fiber substructuring concepts and the micromechanics equations that are embedded in the Ceramic Matrix Composite Analyzer (CEMCAN) computer code are described as well as the code itself, its current features and capabilities, and some examples to demonstrate the code's versatility. The methodology is equally applicable to metal matrix and polymer matrix composites. The prediction of ply mechanical and thermal properties agree very well with the existing models in the Integrated Composite Analyzer and the Ceramic Matrix Composite Analyzer, lending credence to the fiber substructuring approach. Fiber substructuring can capture greater local detail than conventional unit-cell-based micromechanical theories. It offers promise in simulating complex aspects of micromechanics in ceramic matrix composites.

Murthy, P. L. N.↗
NASA NTRS1992

Venus tectonics - An overview of Magellan observations

Magellan observations of the tectonic characteristics of highland regions on Venus are discussed with reference to competing theories for highland formation and evolution. Complex rigid terrain, or tessera, and the extent to which these elevated blocks of intensely deformed crust may be genetically related to highlands are then considered. Further, the tectonics of plains and lowland regions are examined, including deformation belts and coronae, and possible relations between such features and mantle dynamics. Implications of these observations for the global tectonics of Venus are discussed.

Solomon, Sean C.↗
NASA NTRS2001

A Theoretical Study of the Interaction of Water and Imidazole with Iron and Nickel Dications

The structures, the harmonic frequencies, and the energies of Fe2+(H2O)n(imid)m and Ni2+(H2O)n(imid)m complexes are computed using density functional theory with the B3LYP functional. A CSOV analysis shows that the bonding is mostly electrostatic in nature. Imidazole forms a stronger bond than water with both metal dications due to its larger dipole moment and polarizability. The reactions for the exchange of one water molecule by one imidazole are exothermic and up to six water molecules can be replaced by imidazoles. The trends are very similar for both metals with the displacement reactions being slightly more favorable for Ni(2+).

Ricca, Alessandra↗
NASA NTRS2002

Analysis of Tank PMD Rewetting Following Thrust Resettling

Recent investigations have successfully demonstrated closed-form analytical solutions of spontaneous capillary flows in idealized cylindrical containers with interior corners. In this report, the theory is extended and applied to complex containers modeling spacecraft fuel tanks employing propellant management devices (PMDs). The specific problem investigated is one of spontaneous rewetting of a typical partially filled liquid fuel/cryogen tank with PMD after thrust resettling. The transients of this flow impact the logistics of orbital maneuvers and potentially tank thermal control. The general procedure to compute the initial condition (mean radius of curvature for the interface) for the closed-form transient flows is first outlined then solved for several 'complex' cylindrical tanks exhibiting symmetry. The utility and limitations of the technique as a design tool are discussed in a summary, which also highlights comparisons with NASA flight data of a model propellant tank with PMD.

Weislogel, M. M.↗
NASA NTRS2017

Status, Emerging Ideas and Future Directions of Turbulence Modeling Research in Aeronautics

In July 2017, a three-day Turbulence Modeling Symposium sponsored by the University of Michigan and NASA was held in Ann Arbor, Michigan. This meeting brought together nearly 90 experts from academia, government and industry, with good international participation, to discuss the state of the art in turbulence modeling, emerging ideas, and to wrestle with questions surrounding its future. Emphasis was placed on turbulence modeling in a predictive context in complex problems, rather than on turbulence theory or descriptive modeling. This report summarizes many of the questions, discussions, and conclusions from the symposium, and suggests immediate next steps.

Duraisamy, Karthik↗
NASA NTRSDate not supplied

Contact Multigraph Routing: Overview and Implementation

In Delay Tolerant Networking (DTN), the standard routing algorithm used to navigate time-varying networks has been Contact Graph Routing (CGR). In CGR, a globally distributed list of contacts, periods during which two DTN nodes may communicate, is used to construct a contact graph, in which contacts are vertices. A version of Dijkstra’s algorithm can then be used to find paths through this model of the timevarying network. However, since contact graphs may be large compared to the network, potentially growing with the square of the number of network nodes and linearly with the time interval represented, the resulting algorithm does not scale well with the size of the network or time. Any improvement to the routing algorithm will bring significant returns to scale. In a previous paper, we briefly introduced an alternative to the contact graph model for routing. This alternative model is based on a multigraph (a graph in which there may be multiple edges between a pair of vertices) where vertices represent network nodes instead of contacts. A version of Dijkstra’s algorithm in these multigraph models reduces the time needed to perform the same routing computations done in the existing CGR algorithm. Moreover, a modified version of Yen’s algorithm for multigraphs is included. Our variation of CGR, which we call Contact Multigraph Routing (CMR), provides an in-line replacement for the previously used pathfinding algorithms. This paper describes an implementation created based on the CMR approach, and experimental comparisons to traditional CGR are given. In addition, we explore some additional modifications to the routing pipeline traditionally assumed in CGR. These modifications range from the theoretical to the practical in terms of size and scope. We step forward our understanding of sheaftheoretic networking and describe how to model the routing pipeline using sheaves. We detail some enhanced route selection criteria that addresses some of the added complexity of DTNbased systems. We also include a future works section on future improvements and implementations that would be of service to the broader DTN community.

contact graph routing↗
NASA NTRSDate not supplied

Jettison and Disposal From Near Rectilinear Halo Orbits, Part 2: Applications

Objects deployed from a Near Rectilinear Halo Orbit (NRHO) experience simultaneous gravitational forces from the Moon, the Earth, and the Sun, and post-deployment behavior is complex. The current investigation applies the theories explored in Part 1 of the study to examine the dynamics of objects deployed from the Gateway NRHO to heliocentric space. Examples include jettison of cubesats and logistics modules as well as end-of-life options for the Gateway itself. Recontact risk with the Gateway as each object departs the lunar vicinity is explored, and both the immediate destination and the long-term fate of the deployed objects are assessed.

Diane C. Davis↗
DOE OSTI2023

A Data Processing Pipeline for Adversarial Socio-Technical Network Analysis

With the rapid adoption of emerging technologies, there is a need to catalog and model sociotechnical interdependencies that have been historically used to influence the operation of Critical Infrastructure networks including the impacts of mergers and acquisitions, hostile takeovers, and foreign investment. Our research intends to address this need with two primary contributions. First, we have developed a data curation and processing pipeline to generate sociotechnical networks extracted from a variety of data sources including SEC filings and infrastructure asset databases. The pipeline, implemented in Apache Airflow, extracts and normalizes the representation of entities and relations, specified within ontologies. Our intent is to provide an extensible, machine-actionable approach to quickly communicate such models, reproduce previous results, and adapt them to new, unanticipated situations. Second, networks produced by our pipeline enable the development of graph-theoretic metrics that consider the properties of network components in addition to its topology. Metadata associated with network components---whether semantic, temporal, or geospatial---affects the alignment of generated networks with assumptions underlying complexity metrics. Validation of generated networks relative to component types defined by an ontology, may allow the research community to adapt metrics to the semantics of the domains being studied. Generated networks may be processed as knowledge, dynamic, or spatial graphs and enables a variety of analyses including automated reasoning and measures of network complexity. Automated reasoning views extracted entities and relations as a knowledge graph; this enables application of inference rules that represent historically-attested adversarial business methods and applies that behavior to a specific geographic context. Measures of network complexity, including degree distribution, reachability analyses, temporal analysis, and community detection can be adapted to indicate adversarial organizational influence.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS2003

Review of Work Done with Professor Nussenzveig Regarding the Mie Theory

Prof. Nussenzveig has dedicated part of his career to a surprising and unusual pursuit harking back to the heyday of classical physics: Mie theory, or the scattering of electromagnetic radiation by a homogeneous sphere. M e theory was not put forward until around 1908 (nearly simultaneously by Debye in a different form) and was quickly forgotten in the rush to the then-new quantum mechanics. It remained somewhat of a backwater until Prof. Nussenzveig brought it back by adapting complex angular momentum ideas from Regge pole theory, which had originally been invented for quantum mechanics. Since 1960, he has made fundamental contributions to actually understanding (as opposed to merely calculating) Mie theory. I became involved with this work in 1978 by inviting Prof. Nussenzveig to visit me at the National Center for Atmospheric Research. Since then we have written several papers together on approximate methods for Mie cross-sections, bubble scattering, and other subjects. This lecture will review that work, ending with his recent work on Mie resonances. The emphasis will be on the applications in atmospheric sciences.

Wiscombe, W.↗
DOE OSTI2026

Accelerating lattice gauge theory studies with Agentic AI

Lattice gauge theory research, with its computationally intensive simulations and complex multi‑stage workflows, is well positioned to benefit from agentic AI systems. We demonstrate how such tools can support key components of lattice gauge theory research, including novel simulation code development using standard LQCD frameworks, HPC job orchestration, simulation data analysis, and expert‑guided tuning of algorithmic parameters such as Hasenbusch mass preconditioning and multigrid solvers. Our results show that agentic AI can reduce manual effort, improve productivity, and accelerate the research cycle while maintaining essential human oversight.

Ayyar, Venkitesh [Fermilab]↗
DOE OSTI2024

Transient anisotropic kernel for probabilistic learning on manifolds

PLoM (Probabilistic Learning on Manifolds) is a method introduced in 2016 for handling small training datasets by projecting an Itô equation from a stochastic dissipative Hamiltonian dynamical system, acting as the MCMC generator, for which the KDE-estimated probability measure with the training dataset is the invariant measure. PLoM performs a projection on a reduced-order vector basis related to the training dataset, using the diffusion maps (DMAPS) basis constructed with a time-independent isotropic kernel. In this paper, we propose a new ISDE projection vector basis built from a transient anisotropic kernel, providing an alternative to the DMAPS basis to improve statistical surrogates for stochastic manifolds with heterogeneous data. The construction ensures that for times near the initial time, the DMAPS basis coincides with the transient basis. For larger times, the differences between the two bases are characterized by the angle of their spanned vector subspaces. The optimal instant yielding the optimal transient basis is determined using an estimation of mutual information from Information Theory, which is normalized by the entropy estimation to account for the effects of the number of realizations used in the estimations. Consequently, this new vector basis better represents statistical dependencies in the learned probability measure for any dimension. Three applications with varying levels of statistical complexity and data heterogeneity validate the proposed theory, showing that the transient anisotropic kernel improves the learned probability measure.

Diffusion maps↗
DOE OSTI2025

Computational Investigation of the Chemical Bond between An(III) Ions and Soft-Donor Ligands

The chemical bonding of actinide ions with arene and borohydride ligands is explored via quantum chemical methods to understand how the transuranium elements interact with softdonor ligands. Specifically, the [An(C 6 Me 6 )(BH 4 ) 3 ] complexes (An = U, Np, and Pu) and their reduced congeners are studied. Density functional theory (DFT) shows that the metal–ligand interactions in the neutral complexes are governed by electrostatic interactions. Both DFT and complete active space (CASSCF) results show that as one moves from U to Pu, the 5f-orbitals are stabilized leading to a poorer energy match with the ligand orbitals. This contributes to progressively weaker metal-arene and metal-borohydride interactions across the series due to a decrease in energy-driven covalency. A reduction in orbital contributions to bonding is obtained for the transuranium-arene interactions as well. Upon reduction, the arene is reduced, forming a δ-bond. This causes the An–arene distances to contract by 0.1–0.2 Å compared to the neutral complexes. The ground state is assigned as the intermediate-spin state where the arene radical is antiferromagnetically coupled to the metal-centered f-electrons in Np and Pu. On the other hand, the ferromagnetically and antiferromagnetically coupled states are close in energy in the uranium complex, but do not mix when spin– orbit coupling is included using a state-interaction approach (SO-CASPT2). The population of the CASSCF δ*-antibonding natural orbital increases from U to Pu consistent with the increased An–arene distances, weaker interactions, and decreasing covalency across the series. Although the An–B distance increases by ca. 0.06 Å upon reduction, both the neutral and reduced species involve an An(III)–borohydride bond and as such are qualitatively similar. The Np complexes can be assigned to have slightly weaker bonding than the uranium analogs but are overall “uranium-like”. The Pu complexes are predicted to have less covalent contributions to bonding in both the Pu–arene and Pu–borohydride interactions; however, the Pu–arene interaction is predicted to be particularly weak.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Impact of Noncovalent Interactions on the Structural Chemistry of Thorium(IV)-Aquo-Chloro Complexes

Five novel tetravalent thorium (Th) compounds that consist of Th(H 2 O) x Cl y structural units were isolated from acidic aqueous solutions using a series of nitrogen-containing heterocyclic hydrogen (H) bond donors. Taken together with three previously reported phases, the compounds provide a series of monomeric Th IV complexes wherein the effects of noncovalent interactions (and H-bond donor identity) on Th structural chemistry can be examined. Seven distinct structural units of the general formulas [Th(H 2 O) x Cl 8–x ] x-4 (x = 2, 4) and [Th(H 2 O) x Cl 9–x] x-5 (x = 5–7) are described. The complexes range from chloride-deficient [Th(H 2 O) 7 Cl 2 ] 2+ to chloride-rich [Th(H 2 O) 2 Cl 6 ] 2– species, and theory was used to understand the relative energies that separate complexes within this series via the stepwise chloride addition to an aquated Th cation. Electronic structure theory predicted the reaction energies of chloride addition and release of water through a series of transformations, generally highlighting an energetic driving force for chloride complexation. To probe the role of the counterion in the stabilization of these complexes, electrostatic potential (ESP) surfaces were calculated. Finally, the ESP surfaces indicated a dependence of the chloride distribution about the Th metal center on the pK a of the countercation, highlighting the directing effects of noncovalent interactions (e.g., Hbonding) on Th speciation.

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

The complex momentum representation approach and its application to low-lying resonances in ${^{17}}$O and ${^{29,31}}$F

Approaches for predicting low-lying resonances, uniformly treating bound, and resonant levels have been a long-standing goal in nuclear theory. Accordingly, we explored the viability of the complex momentum representation (CMR) approach coupled with new potentials. We focus on predicting the energy of the low-lying 2p 3/2 resonance in 17 O, which is critical for s-process nucleosynthesis and missing in previous theoretical research. Here, using a Woods-Saxon potential based on the Koning-Delaroche optical model and constrained by the experimental one-neutron separation energy, we successfully predicted the resonant energy of this level for the first time. Our predictions of the bound levels and 1d 3/2 resonance agree well with the measurement results. Additionally, we utilize this approach to study the near-threshold resonances that play a role when forming a two-neutron halo in 29,31 F. We found that the CMR-based predictions of the bound-level energies and unbound 1f 7/2 level agree well with the results obtained using the scattering phase shift method. Subsequently, we successfully found a solution for the 2p 3/2 resonance with energy just above the threshold, which is decisive for halo formation.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2022

Wetting behavior of polyelectrolyte complex coacervates on solid surfaces

The wetting behavior of complex coacervates underpins their use in many emerging applications of surface science, particularly wet adhesives and coatings. Many factors dictate if a coacervate phase will condense on a solid surface, including solution conditions, the nature of the polymer–substrate interaction, and the underlying supernatant–coacervate bulk phase behavior. In this work, we use a simple inhomogeneous mean-field theory to study the wetting behavior of complex coacervates on solid surfaces both off-coexistence (wetting transitions) and on-coexistence (contact angles). Here we focus on the effects of salt concentration, the polycation/polyanion surface affinity, and the applied electrostatic potential on the wettability. We find that the coacervate generally wets the surface via a first order wetting transition with second order transitions possible above a surface critical point. Applying an electrostatic potential to a solid surface always improves the surface wettability when the polycation/polyanion–substrate interaction is symmetric. For asymmetric surface affinity, the wettability has a nonmonotonic dependence with the applied potential. We use simple scaling and thermodynamic arguments to explain our results.

36 MATERIALS SCIENCE↗