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Results for “deformation function”

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 865 records · Page 48
All sourcesNASA NTRSDOE OSTI
NASA NTRS1980

Rolling-element bearings

In contrast to hydrodynamic bearings, which depend for low-friction characteristics on a fluid film between the journal and the bearing surfaces, roller-element bearings employ a number of balls or rollers that roll in an annular space. The paper briefly outlines the advantages and disadvantages of roller-element bearings as compared to hydrodynamic bearings. The discussion covers bearing types, rolling friction, friction losses in rolling bearings, contact stresses, deformations, kinematics (normal and high speeds), bearing dynamics including elastohydrodynamics, load distribution, lubrication (grease, solid oil, oil-air mist), specific dynamic capacity and life, specific static capacity, and fatigue or wearout (elastohydrodynamics, wear). Rolling bearing wear factor as a function of operating environment is plotted and discussed.

Anderson, W. J.↗
NASA NTRS1992

Composite laminated shells under internal pressure

A theoretical study is conducted of the response of filament-wound composite shells under internal pressure; a system of sixth-order ordinary differential equations is obtained by means of the cylindrically anisotropic elasticity field equations and Lekhnitskii's (1963) stress functions. The general expressions for the stresses and displacements in the laminated composite shells under internal pressure are discussed. Attention is given to the influence of the degree of material anisotropy and fiber orientation on the axial and induced twisting deformation.

Yuan, F. G.↗
NASA NTRS1994

Q-derivatives, coherent states and squeezing

We show that the q-deformation of the Weyl-Heisenberg (q-WH) algebra naturally arises in discretized systems, coherent states, squeezed states and systems with periodic potential on the lattice. We incorporate the q-WH algebra into the theory of (entire) analytical functions, with applications to theta and Bloch functions.

Celeghini, E.↗
NASA NTRS2002

Introductory Remarks for ISROMAC-9 Panel on Inducer Design Criteria

The Space Shuttle Main Engine (SSME) High Pressure Oxygen Turbopump (HPOTP) inducer cavitation study was initiated in the mid 1990s to support high synchronous vibrations. A Fastrac 60K Engine Oxygen Turbopump inducer cavitation study was started around the same time to support a blade deformation investigation. Super-synchronous rotating, attached synchronous, and pronounced subsynchronous flow oscillations were evident. Current thrusts in experimental work include characterization of loads induced by the various forms of cavitation inducted stabilities and measurements of cavitating turbopump dynamic transfer functions.

Zoladz, Tom↗
DOE OSTI2024

Revisiting Artifacts of Kohn–Sham Density Functionals for Biosimulation

We revisit the problem of unphysical charge density delocalization/fractionalization induced by the self-interaction error of common approximate Kohn–Sham (KS) density functional theory functionals on simulation of small to medium-sized proteins in a vacuum. Aside from producing unphysical electron densities and total energies, the vanishing of the HOMO–LUMO gap associated with the unphysical charge delocalization leads to an unphysical low-energy spectrum and catastrophic failure of most popular solvers for the KS self-consistent field (SCF) problem. We apply a robust quasi-Newton SCF solver to obtain solutions for some of these difficult cases. The anatomy of the charge delocalization is revealed by the natural deformation orbitals obtained from the density matrix difference between the Hartree–Fock and KS solutions; the charge delocalization not only can occur between charged fragments (such as in zwitterionic polypeptides) but also involves neutral fragments. The vanishing-gap phenomenon and troublesome SCF convergence are both attributed to the unphysical KS Fock operator eigenspectra of molecular fragments (e.g., amino acids or their side chains). Analysis of amino acid pairs suggests that the unphysical charge delocalization can be partially ameliorated by the use of some range-separated hybrid functionals but not by semilocal or standard hybrid functionals. Last, we demonstrate that solutions without the unphysical charge delocalization can be located even for semilocal KS functionals highly prone to such defects, but such solutions have non-Aufbau character and are unstable with respect to mixing of the non-overlapping “frontier” orbitals. Caution should be exercised when unexpectedly small (or vanishing) HOMO–LUMO gaps and atypical SCF convergence patterns (e.g., oscillatory) are observed in KS DFT simulations in any context (bio or otherwise).

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

Local Lattice Deformation of Tellurene Grain Boundaries by Four-Dimensional Electron Microscopy

Two-dimensional (2D) tellurene is a promising competitor for the fabrication of ultrathin optoelectronic devices belonging to a new family of monoelemental 2D materials. Furthermore, the precise fabrication and characterization of tellurene and its lattice defects is of utmost importance to determine device reliability and predict functionality, yet it remains experimentally challenging. The rapid growth of the four-dimensional scanning transmission electron microscopy (4D-STEM) technique as well as postprocessing tools now allows for structural analysis with nanometer-scale resolution over a broad range of length scales. Here, we use 4D-STEM to reveal the three-dimensional (3D) atomic structure of the characteristic grain boundary in 2D tellurium formed through a new microwave-enabled chemical self-assembly. Strain and lattice parameter maps permit the reconstruction of the roughness of the grain boundary and suggest that its formation is promoted by a wedge of helical atomic chains along the [0001] crystallographic direction. The observation of wrinkles at the grain boundary is found to be the dominant relaxation mechanism. Insights into the formation mechanism are elucidated by mapping the lattice parameters as the first demonstration of local in-plane and out-of-plane unit cell variation in a nanometer-by-nanometer real-space array.

36 MATERIALS SCIENCE↗
NASA NTRS1990

Computing Deformations Of Rubbery Materials

Better use made of experimental data in finite-element computations. New formulation of constitutive equations of rubbery, nonlinearly elastic material enables finite-element analysis of boundary-value stress-and-strain problems involving arbitrary shapes and loads. In development of formulation, principal stretches used as arguments of strain-energy-density function.

Peng, Steven T. J.↗
DOE OSTI2024

Spectral broadening and vibronic dynamics of the S2 state of canthaxanthin in the orange carotenoid protein

We have performed a series of broadband multidimensional electronic spectroscopy experiments to probe the electronic and vibrational dynamics of the canthaxanthin chromophore of the Orange Carotenoid Protein (OCP) from Synechocystis sp. PCC 6803 in its photoactivated red state, OCPR. Cross-peaks observed below the diagonal of the two-dimensional electronic spectrum indicate that absorption transitions prepare the bright S2 state of the ketocarotenoid canthaxanthin near to a sequence of conical intersections, allowing passage to the dark S1 state via the Sx intermediate in <50 fs. Rapid damping of excited-state coherent wavepacket motions suggests that the branching coordinates of the conical intersections include out-of-plane deformation and C=C stretching coordinates of the π-conjugated isoprenoid backbone. The unusual proximity of the Franck–Condon S2 state structure to the conical intersections with Sx and S1 suggests that the protein surroundings of canthaxanthin prepare it to function as an excitation energy trap in the OCPR–phycobilisome complex. Numerical simulations using the multimode Brownian oscillator model demonstrate that the ground-state absorption spectrum of OCPR overlaps with the fluorescence emission spectrum of allophycocyanin due to spectral broadening derived especially from the intramolecular motions of the canthaxanthin chromophore in its binding site.

Yang, Kunwei↗
DOE OSTI2026

Microscopic theory of angular momentum distributions across the full range of fission fragments

Modern nuclear theory provides qualitative insights into the fundamental mechanisms of nuclear fission and is increasingly capable of making reliable quantitative predictions. Most quantities of interest pertain to the primary fission fragments, whose subsequent decay is typically modeled using statistical reaction models. Consequently, a key objective of fission theory is to inform these models by predicting the initial conditions of the primary fragments. Here, in this work, we employ a framework that combines joint angular momentum and particle number projection with time-dependent configuration mixing to calculate the angular momentum distributions of primary fragments. Focusing on the benchmark cases of neutron-induced fission of 235 U and 239 Pu , we predict—for the first time—microscopic angular momentum distributions for all fragments observed in experiments. Our results reveal a pronounced sawtooth pattern in the average angular momentum as a function of fragment mass, consistent with recent measurements. Additionally, we observe substantial variations in angular momentum distributions along isobaric chains, indicating that commonly used empirical formulas lack sufficient accuracy. We also quantify a strong correlation between the angular momentum and the deformation of the fragments at scission, and a weak correlation in the magnitude of the angular momentum between fragment partners. The generated data will enable estimation of the impact of microscopic distributions on fission spectra, paving the way toward fission modeling based on microscopic inputs.

Physics - Nuclear physics and radiation physics↗
NASA NTRS1985

Deformation of the heliospheric current sheet

A kinematic analysis of the previously neglected effect of velocity inhomogeneity on the topology of the heliospheric current sheet in a radially flowing solar wind shows how the originally smooth current sheet becomes 'ruffled'. In the highly idealized case of a totally uniform, radial, steady solar wind, the shape of the current sheet is independent of distance from the sun. However, the real solar wind is inhomogeneous; the velocity varies from point to point along the current sheet, causing a distortion in the current sheet of progressively greater amplitude with increasing distance from the sun. This is true even for purely radial flow. Significant and observable distortion is produced by relatively small gradients in velocity; thus to predict or understand the shape of the heliospheric current sheet it is essential to know the solar wind in which the current sheet is embedded. Examples are given of mild velocity gradients which demonstrate the principles, the magnitude, and the character of the effect; deformation of the actual heliospheric current sheet in the highly variable solar wind is expected to be of far greater amplitude and complexity than in the simplified, tutorial examples. A new expression for the inclination of the current sheet as a function of velocity inhomogeneity and distance from the sun that is easily applied to the interpretation of solar wind data is also derived.

Suess, S. T.↗
NASA NTRS2003

Geometric differences of the mitral apparatus between ischemic and dilated cardiomyopathy with significant mitral regurgitation: real-time three-dimensional echocardiography study

BACKGROUND: This study was conducted to elucidate the geometric differences of the mitral apparatus in patients with significant mitral regurgitation caused by ischemic cardiomyopathy (ICM-MR) and by idiopathic dilated cardiomyopathy (DCM-MR) by use of real-time 3D echocardiography (RT3DE). METHODS AND RESULTS: Twenty-six patients with ICM-MR caused by posterior infarction, 18 patients with DCM-MR, and 8 control subjects were studied. With the 3D software, commissure-commissure plane and 3 perpendicular anteroposterior (AP) planes were generated for imaging the medial, central, and lateral sides of the mitral valve (MV) during mid systole. In 3 AP planes, the angles between the annular plane and each leaflet (anterior, Aalpha; posterior, Palpha) were measured. In ICM-MR, Aalpha measured in the medial and central planes was significantly larger than that in the lateral plane (39+/-5 degrees, 34+/-6 degrees, and 27+/-5 degrees, respectively; P<0.01), whereas Palpha showed no significant difference in any of the 3 AP planes (61+/-7 degrees, 57+/-7 degrees, and 56+/-7 degrees, P>0.05). In DCM-MR, both Aalpha (38+/-8 degrees, 37+/-9 degrees, and 36+/-7 degrees, P>0.05) and Palpha (59+/-6 degrees, 58+/-5 degrees, and 57+/-6 degrees, P>0.05) revealed no significant differences in the 3 planes. CONCLUSIONS: The pattern of MV deformation from the medial to the lateral side was asymmetrical in ICM-MR, whereas it was symmetrical in DCM-MR. RT3DE is a helpful tool for differentiating the geometry of the mitral apparatus between these 2 different types of functional mitral regurgitation.

Evaluation Studies↗
NASA NTRS2024

Assessing Mechanical Properties of Spacecraft Materials under Simulated Low Earth Orbit Atomic Oxygen Conditions

During a space mission, spacecraft surface materials are exposed to various damaging environmental factors including high-energy photons, electrons, atomic oxygen (AO) neutrals and ions, micrometeoroids and orbital debris, vacuum, and large temperature fluctuations. The resulting change in spacecraft material properties can significantly impact the performance and durability of spacecraft systems. Even though all aspects of the space environment can lead to the deterioration of spacecraft components, in low Earth orbit (LEO), the threat posed by AO is especially severe in terms of structural and optical damage, particularly to exterior spacecraft components that are susceptible to oxidation. A comprehensive understanding of material AO-induced weathering is essential for mission planning in the LEO environment. The presented work aims to evaluate the alterations in mechanical properties of selected innovative spacecraft materials and surface electronic system designs, such as Kapton® CR film coated front and back-side with polyimide coating containing AO-resistant filler, Kevlar EXO, and Bendable Electrodynamic Dust Shield (BEDS) architecture, under simulated AO exposure, utilizing the photoelasticity phenomenon in which birefringence is induced in a material when it is subjected to mechanical stress. Changes in stress patterns during the deformation of AO-exposed polymers were assessed using a large-field polariscope under varied deformation types. Patterns of colors were used for qualitative evaluations of residual stress. The stress patterns of the AO-exposed polymers were compared to those of the unexposed ones. Also, these patterns were correlated with data from Bidirectional Reflectance Distribution Function (BRDF) and surface morphology studies.

Yuliya Kuznetsova↗
DOE OSTI2023

Piezoelectric deformable photonic devices

A CMOS-compatible actuator platform for implementing phase, amplitude, and frequency modulation in silicon nitride photonic integrated circuits via piezo-optomechanical coupling using tightly mechanically coupled aluminum nitride actuators is disclosed. The platform, which may be fabricated in a CMOS foundry, enables scalable active photonic integrated circuits for visible wavelengths, and the piezoelectric actuation functions without performance degradation down to cryogenic operating temperatures. A number of devices are possible, including ring modulator devices, phase shifter devices, Mach-Zehnder interferometer devices, directional coupler devices (including tunable directional coupler devices), and acousto-optic modulator and frequency shifter devices, each of which can employ the same AlN actuator platform. As all of these devices can be built on the same AlN actuator platform, numerous optical functions can be implemented on a single die.

Eichenfield, Matt↗
DOE OSTI2018

Modular bootstrap revisited

We constrain the spectrum of two-dimensional unitary, compact conformal field theories with central charge c > 1 using modular bootstrap. Upper bounds on the gap in the dimension of primary operators of any spin, as well as in the dimension of scalar primaries, are computed numerically as functions of the central charge using semi-definite programming. Our bounds refine those of Hellerman and Friedan-Keller, and are in some cases saturated by known CFTs. In particular, we show that unitary CFTs with c < 8 must admit relevant deformations, and that a nontrivial bound on the gap of scalar primaries exists for c < 25. We also study bounds on the dimension gap in the presence of twist gaps, bounds on the degeneracy of operators, and demonstrate how “extremal spectra” which maximize the degeneracy at the gap can be determined numerically.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2020

Machine learning bridges local static structure with multiple properties in metallic glasses

A long-standing challenge in the metallic glass (MG) community has been how to quantitatively gauge the influence of the intricate local packing environment on the response (such as the propensity for atomic rearrangement) of the atomic configuration to external stimuli. Here we establish this structure–property relation by representing the complex amorphous structure using a single, flexibility-orientated structural quantity. This structural flexibility (SF) couples to a bona fide structural representation, the pair distribution function (PDF) of individual atoms, through a weighting function that reflects what matters in the static atomic configuration to dynamic responses. Machine learning is used, employing microscopic flexibility volume as the supervisory signal, to establish via direct regression an optimized weighting vector, which is proven robust for all quenching rates, deformation conditions, and different compositions in a given (e.g., Cu x Zr 100-x ) alloy system. Additionally, the SF is evaluated solely from the particle positions (PDF), for any structure variation, from the atomic scale up to sample average. Strong correlations are demonstrated between SF and a broad range of properties, including vibrational, diffusional, as well as elastic and plastic relaxation responses.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Intrinsic Limits of Charge Carrier Mobilities in Layered Halide Perovskites

Layered halide perovskites have emerged as potential alternatives to three-dimensional (3D) halide perovskites due to their improved stability and larger material phase space, allowing fine tuning of structural, electronic, and optical properties. However, their charge carrier mobilities are significantly smaller than those of 3D halide perovskites, which has a considerable impact on their application in optoelectronic devices. Here, we employ state-of-the-art approaches to unveil the electron-phonon mechanisms responsible for the diminished transport properties of layered halide perovskites. Starting from a prototypical A M X 3 halide perovskite, we model the case of n = 1 and n = 2 layered structures and compare their electronic and transport properties to the 3D reference. The electronic and phononic properties are investigated within density functional theory (DFT) and density functional perturbation theory (DFPT), while transport properties are obtained via the Boltzmann transport equation. The vibrational modes contributing to charge carrier scattering are investigated and associated with polar-phonon scattering mechanisms arising from the long-range Fröhlich coupling and deformation-potential scattering processes. Our investigation reveals that the lower mobilities in layered systems primarily originate from the increased electronic density of states at the vicinity of the band edges, while the electron-phonon coupling strength remains similar. Such an increase is caused by the dimensionality reduction and the break in octahedra connectivity along the stacking direction. Our findings provide a fundamental understanding of the electron-phonon coupling mechanisms in layered perovskites and highlight the intrinsic limitations of the charge carrier transport in these materials. Published by the American Physical Society 2024

Cucco, Bruno (ORCID:0000000331564143)↗
DOE OSTI2020

Lessons from the Ramond sector

We revisit the consistency of torus partition functions in (1+1)d fermionic conformal field theories, combining old ingredients of modular invariance/covariance with a modernized understanding of bosonization/fermionization dualities. Various lessons can be learned by simply examining the oft-ignored Ramond sector. For several extremal/kinky modular functions in the bootstrap literature, we can either rule out or identify the underlying theory. We also revisit the N = 1 Maloney-Witten partition function by calculating the spectrum in the Ramond sector, and further extending it to include the modular sum of seed Ramond characters. Finally, we perform the full N = 1 RNS modular bootstrap and obtain new universal results on the existence of relevant deformations preserving different amounts of supersymmetry.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗