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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 271 records · Page 15
All sourcesNASA NTRSDOE OSTI
NASA NTRS2018

Curvilinear Displacement Transfer Functions for Deformed Shape Predictions of Curved Structures Using Distributed Surface Strains

Curvilinear Displacement Transfer Functions were formulated for deformed shape predictions of different curved structures using surface strains. The embedded curved beam (depth-wise cross section of a curved structure along a surface strain-sensing line) was discretized into multiple small domains, with domain junctures matching the strain-sensing stations. Thus, the surface strain distribution can be described with a piecewise linear or a piecewise nonlinear function. The discrete approach enabled piecewise integrations of a curvature-strain differential equation for the embedded curved beam to yield closed-form Curvilinear Displacement Transfer Functions, which are written in terms of embedded curved-beam geometrical parameters and surface strains. By inputting the surface strain data, the Curvilinear Displacement Transfer Functions can transform surface strains into deflections along each embedded curved beam for mapping out the overall structural deformed shapes. The finite-element method was used to analytically generate the surface strains of the curved beams. The deformed shape prediction accuracies were then determined by comparing the theoretical deflections with the finite-element-generated deflections, which were used as yardsticks. By introducing the correction factors in simple mathematical forms, the Curvilinear Displacement Transfer Functions can be quite accurate for shape predictions of different curved-beam structures ranging from limit case of straight beam up to semicircular curved beam.

Ko, William L.↗
DOE OSTI2025

Lorentzian OPE inversion formula: A geometric perspective

We give a new perspective on the Lorentzian operator product expansion inversion formula [S. Caron-Huot, Analyticity in spin in conformal theories, .; D. Simmons-Duffin, D. Stanford, and E. Witten, A spacetime derivation of the Lorentzian OPE inversion formula, .], building on [P. Agarwal , companion paper, Embedding space approach to Lorentzian CFT amplitudes and causal spherical functions, .]. We introduce an “auxiliary” fourpoint function that can be related to the traditionally defined ones via a Radon transform. The Mellin amplitudes associated with this auxiliary function can be shown to be equivalent to the conventional partial wave amplitudes. This has the intuitive geometrical meaning of a generalization of the projection-slice theorem. Published by the American Physical Society 2025

Agarwal, Pulkit (ORCID:0000000346581691)↗
DOE OSTI2015

First-principles investigation of the dissociation and coupling of methane on small copper clusters: Interplay of collision dynamics and geometric and electronic effects

Small metal clusters exhibit unique size and morphology dependent catalytic activity. The search for alternate minimum energy pathways and catalysts to transform methane to more useful chemicals and carbon nanomaterials led us to investigate collision induced dissociation of methane on small Cu clusters. We report here for the first time, the free energy barriers for the collision induced activation, dissociation, and coupling of methane on small Cu clusters (Cu{sub n} where n = 2–12) using ab initio molecular dynamics and metadynamics simulations. The collision induced activation of the stretching and bending vibrations of methane significantly reduces the free energy barrier for its dissociation. Increase in the cluster size reduces the barrier for dissociation of methane due to the corresponding increase in delocalisation of electron density within the cluster, as demonstrated using the electron localisation function topology analysis. This enables higher probability of favourable alignment of the C–H stretching vibration of methane towards regions of high electron density within the cluster and makes higher number of sites available for the chemisorption of CH{sub 3} and H upon dissociation. These characteristics contribute in lowering the barrier for dissociation of methane. Distortion and reorganisation of cluster geometry due to high temperature collision dynamics disturb electron delocalisation within them and increase the barrier for dissociation. Coupling reactions of CH{sub x} (x = 1–3) species and recombination of H with CH{sub x} have free energy barriers significantly lower than complete dehydrogenation of methane to carbon. Thus, competition favours the former reactions at high hydrogen saturation on the clusters.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2016

Observations of the Geometry of Horizon-Based Optical Navigation

NASA's Orion Project has sparked a renewed interest in horizon-based optical navigation(OPNAV) techniques for spacecraft in the Earth-Moon system. Some approaches have begun to explore the geometry of horizon-based OPNAV and exploit the fact that it is a conic section problem. Therefore, the present paper focuses more deeply on understanding and leveraging the various geometric interpretations of horizon-based OPNAV. These results provide valuable insight into the fundamental workings of OPNAV solution methods, their convergence properties, and associated estimate covariance. Most importantly, the geometry and transformations uncovered in this paper lead to a simple and non-iterative solution to the generic horizon-based OPNAV problem. This represents a significant theoretical advancement over existing methods. Thus, we find that a clear understanding of geometric relationships is central to the prudent design, use, and operation of horizon-based OPNAV techniques.

Christian, John↗
DOE OSTI2020

Deactivation of Cu-Exchanged Automotive-Emission NH 3 -SCR Catalysts Elucidated with Nanoscale Resolution Using Scanning Transmission X-ray Microscopy

To gain insight into the underlying mechanisms of catalyst durability for the selective catalytic reduction (SCR) of NO x with an ammonia reductant, we employed scanning transmission X-ray microscopy (STXM) to study Cu-exchanged zeolites with the CHA and MFI framework structures before and after simulated 135 000-mile aging. X-ray absorption near-edge structure (XANES) measurements were performed at the Al K- and Cu L-edges. The local environment of framework Al, the oxidation state of Cu, and geometric changes were analyzed, showing a multi-factor-induced catalytic deactivation. In Cu-exchanged MFI, a transformation of Cu II to Cu I and Cu x O y was observed. We also found a spatial correlation between extra-framework Al and deactivated Cu species near the surface of the zeolite as well as a weak positive correlation between the amount of CuI and tri-coordinated Al. By inspecting both Al and Cu in fresh and aged Cu-exchanged zeolites, we conclude that the importance of the preservation of isolated Cu II sites trumps that of Brønsted acid sites for NH 3 -SCR activity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Atomic-Scale Dynamic Mechanisms of Embedded MoS 2 Wires

Nanowires composed of a 1:1 stoichiometry of transition metals and chalcogen ions can be fabricated from two-dimensional transition metal dichalcogenides (TMDs) by using electron beam irradiation. Wires fabricated through in situ experiments can be geometrically connected to TMD sheets in various ways, and their physical properties can vary accordingly. Understanding the structural transformation caused by electron beams is critical for designing wire-sheet structures for nanoelectronics. In this study, we report the behavior of nanowires formed inside a monolayer MoS 2 sheet by combining phase-contrast images and large-scale atomistic modeling. Here we investigate the effect of vacancies on the dynamic evolution of wires, such as rotations with different edge structures and breaking, by considering the interactions between MoS wires and MoS 2 nanosheets. The obtained insights can be applied to other monolayer TMDs to guide the behavior of TMD wires and fabricate favorable geometries for various applications.

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

Exactly unitary discrete representations of the metaplectic transform for linear-time algorithms

The metaplectic transform (MT), a generalization of the Fourier transform sometimes called the linear canonical transform, is a tool used ubiquitously in modern optics, for example, when calculating the transformations of light beams in paraxial optical systems. The MT is also an essential ingredient of the geometrical-optics modeling of caustics that we recently proposed. In particular, this application relies on the near-identity MT (NIMT); however, the NIMT approximation used so far is not exactly unitary and leads to numerical instability. Here, we develop a discrete MT that is exactly unitary, and approximate it to obtain a discrete NIMT that is also unitary and can be computed in linear time. We prove that the discrete NIMT converges to the discrete MT when iterated, thereby allowing the NIMT to compute MTs that are not necessarily near-identity. Finally, we then demonstrate the new algorithms with a series of examples.

47 OTHER INSTRUMENTATION↗
NASA NTRS1992

Finite element approach for transient analysis of multibody systems

A three-dimensional, finite element based formulation for the transient dynamics of constrained multibody systems with trusslike configurations is presented. A convected coordinate system is used to define the rigid-body motion of individual elements in the system. Deformation of each element is defined relative to its convected coordinate system. The formulation is oriented toward joint-dominated structures. Through a series of sequential transformations, the joint degree of freedom is built into the equations of motion of the element to reduce geometric constraints. Based on the derivation, a general-purpose code has been developed. Two examples are presented to illustrate the application of the code.

Wu, Shih-Chin↗
DOE OSTI2024

Endowing low fatigue for elastocaloric effect by refined hierarchical microcomposite in additive manufactured NiTiCuCo alloy

Abstract NiTiCu-based shape memory alloys have been considered as ideal materials for solid-state refrigeration due to their superb cycling stability for elastocaloric effect. However, the embrittlement and deterioration caused by secondary phase and coarse grains restrict their applications, and it is still challenging since the geometric components are required. Here, bulk NiTiCuCo parts with excellent forming quality were fabricated by laser powder bed fusion (LPBF) technique. The as-fabricated alloy exhibits refined three-phases hierarchical microcomposite formed based on the rapid cooling mode of LPBF, composed of intricate dendritic Ti 2 Ni–NiTi composite and nano Ti 2 Cu embedded inside the NiTi-matrix. This configuration endows far superior elastocaloric stability compared to the as-cast counterpart. The low fatigue stems from the strong elastic coupling between the interphases with reversible martensite transformation, revealed byin-situsynchrotron high-energy x-ray diffraction. The fabrication of NiTiCuCo alloy via LPBF fills the bill of complex geometric structures for elastocaloric NiTiCu alloys. The understanding of interphase micro-coupling could provide the guide for designing LPBF fabricated shape memory-based composites, enabling their applications for special demands on other functionalities.

Engineering↗
DOE OSTI2015

Bubble nucleation and migration in a lead-iron hydr(oxide) core-shell nanoparticle

Iron hydroxide is found in a wide range of contexts ranging from biominerals to steel corrosion, and it can transform to anhydrous oxide via releasing O 2 gas and H 2 O. However, it is not well understood how gases transport through a crystal lattice. Here, we present in situ observation of the nucleation and migration of gas bubbles in iron (hydr)oxide using transmission electron microscopy. We create Pb–FeOOH model core–shell nanoparticles in a liquid cell. Under electron irradiation, iron hydroxide transforms to iron oxide, during which bubbles are generated, and they migrate through the shell to the nanoparticle surface. Geometric phase analysis of the shell lattice shows an inhomogeneous stain field at the bubbles. In conclusion, our modeling suggests that the elastic interaction between the core and the bubble provides a driving force for bubble migration.

36 MATERIALS SCIENCE↗
NASA NTRS1983

Soil temperature investigations using satellite acquired thermal-infrared data in semi-arid regions

Thermal-infrared data from the Heat Capacity Mapping Mission satellite were used to map the spatial distribution of diurnal surface temperatures and to estimate mean annual soil temperatures (MAST) and annual surface temperature amplitudes (AMP) in semi-arid east central Utah. Diurnal data with minimal snow and cloud cover were selected for five dates throughout a yearly period and geometrically co-registered. Rubber-sheet stretching was aided by the WARP program which allowed preview of image transformations. Daytime maximum and nighttime minimum temperatures were averaged to generation average daily temperature (ADT) data set for each of the five dates. Five ADT values for each pixel were used to fit a sine curve describing the theoretical annual surface temperature response as defined by a solution of a one-dimensinal heat flow equation. Linearization of the equation produced estimates of MAST and AMP plus associated confidence statistics. MAST values were grouped into classes and displayed on a color video screen. Diurnal surface temperatures and MAST were primarily correlated with elevation.

Day, R. L.↗
NASA NTRS1982

Automatic algebraic coordinate generation

A computer software system has been developed to automatically generate two-dimensional coordinates from algebraic transformations. For topologically complex regions, a smooth assembly of the transformations can be used to automatically produce a composite mesh where a general gridded format is retained. The algebraic mesh generation system consists of a collection of operator subroutines which are applied to an established data structure and which automatically perform the necessary parts of mesh construction from a sequence of multisurface transformations. The system operators are discussed, taking into account the data base, the order of application, direct surface generators, geometric surface operators, surface generators from existing surfaces, transverse operators, mesh operators, assembly operators, and data visualization operators. Attention is given to applications related to airfoils.

Eiseman, P. R.↗
NASA NTRS2016

Design of the Hybrid Wing Body with Nacelle: N3-X Propulsion-Airframe Configuration

The Hybrid Wing Body (HWB) aircraft is of great interest for future transport concepts due to itspromises of reduced aircraft noise, nitrous-oxide emissions, and fuel consumption. A design parameterizationmethod for HWB configurations with mail slot nacelle has been developed for a fast exploration of designspace in conceptual and preliminary design phases of a HWB configuration. A HWB planform model byLaughlin [11] was implemented, and the Class Shape Transformation (CST) airfoil generation method byKulfan [10] was utilized to construct the needed geometry for computational high fidelity aerodynamicsimulations. Geometric constraints for the parameterization such as internal cabin and cargo hold layoutswere imposed on the geometry generation. A CFD simulation was performed for a HWB configurationgenerated by the current geometric modeler, clearly showing a significant effect of the installed nacelle on theflowfield.

Nacelle Installation↗
DOE OSTI2019

Geometric resonance of four-flux composite fermions

Two-dimensional interacting electrons exposed to strong perpendicular magnetic fields generate emergent, exotic quasiparticles phenomenologically distinct from electrons. Specifically, electrons bind with an even number of flux quanta, and transform into composite fermions (CFs). Besides providing an intuitive explanation for the fractional quantum Hall states, CFs also possess Fermi-liquid-like properties, including a well-defined Fermi sea, at and near even-denominator Landau-level filling factors such as $ν = 1/2$ or $1/4$. Here, we directly probe the Fermi sea of the rarely studied four-flux CFs near $ν = 1/4$ via geometric resonance experiments. The data reveal some unique characteristics. Unlike in the case of two-flux CFs, the magnetic field positions of the geometric resonance resistance minima for $ν < 1/4$ and $ν > 1/4$ are symmetric with respect to the position of $ν = 1/4$. However, when an in-plane magnetic field is applied, the minima positions become asymmetric, implying a mysterious asymmetry in the CF Fermi sea anisotropy for $ν < 1/4$ and $ν > 1/4$. This asymmetry, which is in stark contrast to the two-flux CFs, suggests that the four-flux CFs on the two sides of $ν = 1/4$ have very different effective masses, possibly because of the proximity of the Wigner crystal formation at small $ν$.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Geometric entropies and their Hamiltonian flows

In holographic theories, the Hubeny-Rangamani-Takayanagi (HRT) area operator plays a key role in our understanding of the emergence of semiclassical Einstein-Hilbert gravity. When higher derivative corrections are included, the role of the area is instead played by a more general functional known as the geometric entropy. It is thus of interest to understand the flow generated by the geometric entropy on the classical phase space. In particular, the fact that the associated flow in Einstein-Hilbert or Jackiw-Teitelboim (JT) gravity induces a relative boost between the left and right entanglement wedges is deeply related to the fact that gravitational dressing promotes the von Neumann algebra of local fields in each wedge to type II. This relative boost is known as a boundary-condition-preserving (BCP) kink-transformation. In a general theory of gravity (with arbitrary higher-derivative terms), it is straightforward to show that the flow continues to take the above geometric form when acting on a spacetime where the HRT surface is the bifurcation surface of a Killing horizon. However, the form of the flow on other spacetimes is less clear. In this paper, we use the manifestly-covariant Peierls bracket to explore such flows in two-dimensional theories of JT gravity coupled to matter fields with higher derivative interactions. The results no longer take a purely geometric form and, instead, demonstrate new features that should be expected of such flows in general higher derivative theories. We also show how to obtain the above flows using Poisson brackets.

AdS-CFT correspondence↗
DOE OSTI2023

Unified, Geometric Framework for Nonequilibrium Protocol Optimization

Controlling thermodynamic cycles to minimize the dissipated heat is a long-standing goal in thermodynamics, and more recently, a central challenge in stochastic thermodynamics for nanoscale systems. Here, we introduce a theoretical and computational framework for optimizing nonequilibrium control protocols that can transform a system between two distributions in a minimally dissipative fashion. These protocols optimally transport a system along paths through the space of probability distributions that minimize the dissipative cost of a transformation. Furthermore, we show that the thermodynamic metric—determined via a linear response approach—can be directly derived from the same objective function that is optimized in the optimal transport problem, thus providing a unified perspective on thermodynamic geometries. As a result, we investigate this unified geometric framework in two model systems and observe that our procedure for optimizing control protocols is robust beyond linear response.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Structure and Bonding in Heme-Nitrosyl Complexes and Implications for Biology

This review summarizes our current understanding of the geometric and electronic structures of ferrous and ferric heme–nitrosyls, which are of key importance for the biological functions and transformations of NO. In-depth correlations are made between these properties and the reactivities of these species. Here, a focus is put on the discoveries that have been made in the last 10 years, but previous findings are also included as necessary. Besides this, ferrous heme–nitroxyl complexes are also considered, which have become of increasing interest recently due to their roles as intermediates in NO and multiheme nitrite reductases, and because of the potential role of HNO as a signaling molecule in mammals. In recent years, computational methods have received more attention as a means of investigating enzyme reaction mechanisms, and some important findings from these theoretical studies are also highlighted in this chapter.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2018

Phase Evolution and Mechanical Properties of AlCoCrFeNiSi{sub x} High-Entropy Alloys Synthesized by Mechanical Alloying and Spark Plasma Sintering

In the current investigation, AlCoCrFeNiSi{sub x} (x = 0, 0.3, 0.6 and 0.9 in atomic ratio) high-entropy alloy systems are prepared by mechanical alloying and subsequently consolidated by spark plasma sintering. The microstructural and mechanical properties were analyzed to understand the effect of Si addition in AlCoCrFeNi alloy. The x-ray diffraction analysis reveals the supersaturated solid solution of the body-centered cubic structure after 20 h of ball milling. However, the consolidation promotes the transformation of body-centered phases partially into the face-centered cubic structure and sigma phases. A recently proposed geometric model based on the atomic stress theory has been extended for the first time to classify single phase and multi-phases on the high-entropy alloys prepared by mechanical alloying and spark plasma sintering process. Improved microhardness and better wear resistance were achieved as the Si content increased from 0 to 0.9 in the present high-entropy alloy.

36 MATERIALS SCIENCE↗