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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 1,747 records · Page 97
All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

A generalized and adaptable tensor-contraction-based cluster expansion formalism for multicomponent solids

Density functional theory (DFT)-based simulations of materials have first-principles accuracy, but are very computationally expensive. For simulating various properties of multi-component alloys, the cluster expansion (CE) technique has served as the standard workaround to improve computational efficiency. However, the standard CE technique is difficult to extend to exotic and/or low-symmetry lattices, often implemented via iteration over particular cluster types, which must be enumerated per lattice structure. In this work, we introduce the tensor cluster expansion (TCE), implemented in the open-source code tce-lib, which maps correlation functions to mixed tensor contractions, eliminating the need to iterate over cluster types and additionally making the calculation of correlation functions well-suited for massively parallel architectures like GPUs. We show that local interaction energies are an immediate consequence of the TCE formalism, yielding nearly $\mathcal{O}$(1) energy difference calculations. We then use this formalism to fit CE models for the TaW and CoNiCrFeMn systems, and use these models to respectively compute the enthalpy of mixing curve and Cowley short-range order parameters, showing excellent agreement with ground truth data.

Cluster expansion↗
NASA NTRS1968

General remainder theorem.

Remainder theorem of Rayleigh-Schroedinger perturbation theory for calculating wave functions to higher order

Epstein, S. T.↗
NASA NTRS1979

The generalized pole assignment problem

For some linear, strictly proper system given by its transfer function, two dynamic output feedback problems can be posed. The first one is that of using dynamic-output feedback to assign the closed-loop characteristic polynomial and the second that of assigning the closed-loop invariant factors. These problems and their interrelationships are discussed. The formulation is done in the frequency domain and the investigation carried out from an algebraic point of view, in terms of linear equations over rings of polynomials. Using the notion of genericity, several necessary and sufficient conditions are expressed.

Djaferis, T. E.↗
DOE OSTI2024

An asymptotic-preserving semi-Lagrangian algorithm for the anisotropic heat transport equation with arbitrary magnetic fields

Here, we extend the recently proposed semi-Lagrangian algorithm for the extremely anisotropic heat transport equation [Chacón et al., J. Comput. Phys ., 272 (2014)] to deal with arbitrary magnetic field topologies. The original scheme (which showed remarkable numerical properties) was valid for the so-called tokamak-ordering regime, in which the magnetic field magnitude was not allowed to vary much along field lines. The proposed extension maintains the attractive features of the original scheme (including the analytical Green's function, which is critical for tractability) with minor modifications, while allowing for completely general magnetic fields. The accuracy and generality of the approach are demonstrated by numerical experiment with an analytical manufactured solution.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1989

Development of an integrated BEM approach for hot fluid structure interaction

The progress made toward the development of a boundary element formulation for the study of hot fluid-structure interaction in Earth-to-Orbit engine hot section components is reported. The convective viscous integral formulation was derived and implemented in the general purpose computer program GP-BEST. The new convective kernel functions, in turn, necessitated the development of refined integration techniques. As a result, however, since the physics of the problem is embedded in these kernels, boundary element solutions can now be obtained at very high Reynolds number. Flow around obstacles can be solved approximately with an efficient linearized boundary-only analysis or, more exactly, by including all of the nonlinearities present in the neighborhood of the obstacle. The other major accomplishment was the development of a comprehensive fluid-structure interaction capability within GP-BEST. This new facility is implemented in a completely general manner, so that quite arbitrary geometry, material properties and boundary conditions may be specified. Thus, a single analysis code (GP-BEST) can be used to run structures-only problems, fluids-only problems, or the combined fluid-structure problem. In all three cases, steady or transient conditions can be selected, with or without thermal effects. Nonlinear analyses can be solved via direct iteration or by employing a modified Newton-Raphson approach.

Dargush, G. F.↗
NASA NTRS2018

The History & Evolution of Spacesuits and Spacewalks - Walking in Space

The presentation and videos that will be included in this technology talk will summarize the basic functions of spacesuits, the evolution of spacesuit design, and the development plans for future exploration spacesuits. The videos will run in a loop with no audio. The speakers will generally follow the slide presentation. There will be a 5-minute intro on basic suit functions, followed by a 7-10 minute discussion on suit history and evolution, then 7-10 minutes to cover the current ISS (International Space Station) suit and the development of the next generation exploration spacesuits. That will leave around 5-10 minutes for questions and answers.

Hughes, David↗
DOE OSTI2024

Wave-packet manipulation of He Rydberg states by a seeded free-electron laser

We report a two-dimensional pump-control-probe spectroscopic study of the dynamics of singly excited He Rydberg-state wave packets with a seeded extreme ultraviolet (XUV) free-electron laser (FEL) source. A pair of coherent XUV pulses, defined by their coarse time separation and relative phase, created and manipulated the wave packets. The He atoms were postionized by infrared (IR) pulses, and the ion yield was measured as a function of XUV phase and IR arrival time. We tagged and sorted the relative phase of the XUV pulse pair on a single-shot basis by fitting each FEL spectrum with a suitable function that accounts for nonidealities of the XUV pulse pairs, associated with the seeding process; more generally, the fit returns the time-dependent electric field of the FEL spectra. The experimental two-dimensional maps of ion yields, measured as a function of IR (probe) delay and of XUV (pump-control) phase, were compared with the solution of the first-order time-dependent Schrödinger equation for this field. Despite the fact that the experimental conditions imply strong excitation, beyond the approximations of first-order perturbation theory, the simulated map satisfactorily reproduces the experimental one for temporally well-separated pulses. We show that by selecting data at appropriate values of pump-control phase, we enhance or suppress the amplitude of chosen wave-packet components consisting of two or more Rydberg states. When the temporal overlap of the pulse pair cannot be neglected, the phase reconstruction is underdetermined, and we provide a simplified comparison between data and simulations. Published by the American Physical Society 2024

Dumergue, Mathieu (ORCID:0000000236984406)↗
DOE OSTI2023

The five-point bootstrap

We study five-point correlation functions of scalar operators in d-dimensional conformal field theories. We develop a new approach to computing the five-point conformal blocks for exchanged primary operators of arbitrary spin by introducing a generalization of radial coordinates, using an appropriate ansatz, and perturbatively solving two quadratic Casimir differential equations. We then study five-point correlators 〈σσϵσσ〉 in the critical 3d Ising model. We truncate the operator product expansions (OPEs) in the correlator by including a finite number of primary operators with conformal dimension below a cutoff ∆ ⩽ ∆ cutoff . We then compute several OPE coefficients involving ϵ and two spinning operators by demanding that the truncated correlator approximately satisfies the crossing relation.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1976

Vibratory hub load data reduction and analysis from the reverse velocity rotor wind tunnel test, phase 2B

The vibratory hub loads data analysis from the reverse velocity rotor wind tunnel test is reported. Vibratory loads were obtained from the rotating hub balance and also by synthesis of generalized coordinates from the blade flap bending moments. Load trends were defined as a function of speed, rotor thrust and 2 per rev cyclic from each of the data methods. These trends were compared to determine the degree of agreement between each method and provide substantiation for the generalized coordinate approach.

Taylor, R. B.↗
NASA NTRS2006

Learning Grasp Context Distinctions that Generalize

Control-based approaches to grasp synthesis create grasping behavior by sequencing and combining control primitives. In the absence of any other structure, these approaches must evaluate a large number of feasible control sequences as a function of object shape, object pose, and task. This work explores a new approach to grasp synthesis that limits consideration to variations on a generalized localize-reach-grasp control policy. A new learning algorithm, known as schema structured learning, is used to learn which instantiations of the generalized policy are most likely to lead to a successful grasp in different problem contexts. Two experiments are described where Dexter, a bimanual upper torso, learns to select an appropriate grasp strategy as a function of object eccentricity and orientation. In addition, it is shown that grasp skills learned in this way can generalize to new objects. Results are presented showing that after learning how to grasp a small, representative set of objects, the robot's performance quantitatively improves for similar objects that it has not experienced before.

Platt, Robert↗
NASA NTRS1993

Effects of Local Compression on Peroneal Nerve Function in Humans

A new apparatus was developed to compress the anterior compartment selectively and reproducibly in humans. Thirty-five normal volunteers were studied to determine short-term thresholds of local tissue pressure that produce significant neuromuscular dysfunction. Local tissue fluid pressure adjacent to the deep peroneal nerve was elevated by the compression apparatus and continuously monitored for 2-3 h by the slit catheter technique. Elevation of tissue fluid pressure to within 35-40 mm Hg of diastolic blood pressure (approx. 40 mm Hg of in situ pressure in our subjects) elicited a consistent progression of neuromuscular deterioration including, in order, (a) gradual loss of sensation, as assessed by Semmes-Weinstein monofilaments, (b) subjective complaints, (c) reduced nerve conduction velocity, (d) decreased action potential amplitude of the extensor digitorum brevis muscle, and (e) motor weakness of muscles within the anterior compartment. Generally, higher intracompartment at pressures caused more rapid deterioration of neuromuscular function. In two subjects, when in situ compression levels were 0 and 30 mm Hg, normal neuromuscular function was maintained for 3 h. Threshold pressures for significant dysfunction were not always the same for each functional parameter studied, and the magnitudes of each functional deficit did not always correlate with compression level. This variable tolerance to elevated pressure emphasizes the need to monitor clinical signs and symptoms carefully in the diagnosis of compartment syndromes. The nature of the present studies was short term; longer term compression of myoneural tissues may result in dysfunction at lower pressure thresholds.

Hargens, Alan R.↗
DOE OSTI2021

Evaluation of two-particle properties within finite-temperature self-consistent one-particle Green’s function methods: Theory and application to GW and GF2

One-particle Green’s function methods can model molecular and solid spectra at zero or non-zero temperatures. One-particle Green’s functions directly provide electronic energies and one-particle properties, such as dipole moment. However, the evaluation of two-particle properties, such as $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$, can be challenging because they require a solution of the computationally expensive Bethe–Salpeter equation to find two-particle Green’s functions. We demonstrate that the solution of the Bethe–Salpeter equation can be completely avoided. Applying the thermodynamic Hellmann–Feynman theorem to self-consistent one-particle Green’s function methods, we derive expressions for two-particle density matrices in a general case and provide explicit expressions for GF2 and GW methods. Such density matrices can be decomposed into an antisymmetrized product of correlated one-electron density matrices and the two-particle electronic cumulant of the density matrix. Cumulant expressions reveal a deviation from ensemble representability for GW, explaining its known deficiencies. We analyze the temperature dependence of $\langle$S 2 $\rangle$ and $\langle$N 2 $\rangle$ for a set of small closed-shell systems. Interestingly, both GF2 and GW show a non-zero spin contamination and a non-zero fluctuation of the number of particles for closed-shell systems at the zero-temperature limit.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2005

Multi-Mission System Architecture Platform: Design and Verification of the Remote Engineering Unit

The Multi-Mission System Architecture Platform (MSAP) represents an effort to bolster efficiency in the spacecraft design process. By incorporating essential spacecraft functionality into a modular, expandable system, the MSAP provides a foundation on which future spacecraft missions can be developed. Once completed, the MSAP will provide support for missions with varying objectives, while maintaining a level of standardization that will minimize redesign of general system components. One subsystem of the MSAP, the Remote Engineering Unit (REU), functions by gathering engineering telemetry from strategic points on the spacecraft and providing these measurements to the spacecraft's Command and Data Handling (C&DH) subsystem. Before the MSAP Project reaches completion, all hardware, including the REU, must be verified. However, the speed and complexity of the REU circuitry rules out the possibility of physical prototyping. Instead, the MSAP hardware is designed and verified using the Verilog Hardware Definition Language (HDL). An increasingly popular means of digital design, HDL programming provides a level of abstraction, which allows the designer to focus on functionality while logic synthesis tools take care of gate-level design and optimization. As verification of the REU proceeds, errors are quickly remedied, preventing costly changes during hardware validation. After undergoing the careful, iterative processes of verification and validation, the REU and MSAP will prove their readiness for use in a multitude of spacecraft missions.

Sartori, John↗
NASA NTRS1979

Continued study of NAVSTAR/GPS for general aviation

A conceptual approach for examining the full potential of Global Positioning Systems (GPS) for the general aviation community is presented. Aspects of an experimental program to demonstrate these concepts are discussed. The report concludes with the observation that the true potential of GPS can only be exploited by utilization in concert with a data link. The capability afforded by the combination of position location and reporting stimulates the concept of GPS providing the auxiliary functions of collision avoidance, and approach and landing guidance. A series of general recommendations for future NASA and civil community efforts in order to continue to support GPS for general aviation are included.

Alberts, R. D.↗
NASA NTRS1985

Interpretation of photometric measurements of airless bodies

The scattering properties of the surfaces of airless bodies were observed. These properties are controlled primarily by the following physical parameters: the single scattering albedo, the single particle phase function, the porosity of the upper regolith, and large scale roughness. Comparison of the observations with scattering models reveals both similarities and differences among the airless bodies in the solar system. The textural characteristics of the regolithms of icy satellites appear to be generally similar to those of the Moon and Mercury; differences in the scattering functions are attributed to albedo alone. A notable exception is Europa, which has a much more compact regolith. Io has an especially porous regolith, with void space of about 90%. Although the solar phase curves of the Moon and Mercury are similar, Mercury's phase curve drops off less rapidly at solar phase angles greater than 100 degrees. It is suggested that the Moon is rougher at scales larger than a few mm.

Buratti, B. J.↗
DOE OSTI2026

Uniting Theory and Experiment to Deliver Flexible MOFS for Superior Methane (NG) Storage

The objective of the project was to use previous insights developed through synthesis and quantitative modeling of rigid metal–organic frameworks (MOFs) in an established synergistic theoretical/experimental team to create, modify, and evaluate flexible MOFs (FlexMOFs) for natural gas (NG) storage and release at practically useful pressures and transform the NG storage economy. The goal was reduced pressure absorbed natural gas (ANG) FlexMOF storage at operating pressures less than 100 bar with physisorption exploiting the favorable thermodynamics and kinetics of flexible porous material opening in response to adsorption. Hydrogen behavior in this context was also considered. The specific aim of the project was to design and develop a standard computational modeling methodology for, first, detailed atomistic retrodiction of FlexMOF gating behavior and ultimately prediction of the effects of functionalization and/or substitution on structural transitioning. The project was also geared towards the establishment of the interaction of methane with the framework and binding sites using modeling and the FlexMOF will be both internally and external validated as a SMART metric. This has value to the scientific community both from the obvious standpoint of providing a better understanding of the promising test case systems (CdIF-13 and the MIL-53(Al) series of MOFs), but also in providing an avenue of obtaining insight into these FlexMOF systems in general, which is of particular interest given the tendency of structure-function correlation to lag behind synthesis methodology (making the latter a hit or miss proposition for applications). This gap remains significant for FlexMOF systems whose gate opening behaviors complicate computational examination. The computational methodologies are relatively inexpensive in terms of both money and computational resources enhancing the general viability of these methodologies. The ultimate gain to the public will be in the application of these techniques to design systems for natural gas storage and use to cut down on green-house emissions.

03 NATURAL GAS↗