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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

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NASA NTRS2008

Metrology Optical Power Budgeting in SIM Using Statistical Analysis Techniques

The Space Interferometry Mission (SIM) is a space-based stellar interferometry instrument, consisting of up to three interferometers, which will be capable of micro-arc second resolution. Alignment knowledge of the three interferometer baselines requires a three-dimensional, 14-leg truss with each leg being monitored by an external metrology gauge. In addition, each of the three interferometers requires an internal metrology gauge to monitor the optical path length differences between the two sides. Both external and internal metrology gauges are interferometry based, operating at a wavelength of 1319 nanometers. Each gauge has fiber inputs delivering measurement and local oscillator (LO) power, split into probe-LO and reference-LO beam pairs. These beams experience power loss due to a variety of mechanisms including, but not restricted to, design efficiency, material attenuation, element misalignment, diffraction, and coupling efficiency. Since the attenuation due to these sources may degrade over time, an accounting of the range of expected attenuation is needed so an optical power margin can be book kept. A method of statistical optical power analysis and budgeting, based on a technique developed for deep space RF telecommunications, is described in this paper and provides a numerical confidence level for having sufficient optical power relative to mission metrology performance requirements.

stellar interferometry↗

NASA NTRS2018

VCCT with Progressive Nodal Release for Simulating Mixed-Mode Delamination: Formulation, Algorithmic Improvements and Implications

To simulate the propagation of cracks using the Virtual Crack Closure Technique (VCCT), intermediate crack positions between existing node pairs can be modeled by progressively releasing the nodes using fracture mechanics principles. This approach has been implemented in commercial software and can be applied to simulate delamination growth. Recent research has provided insight into the synchronized mixed mode nodal release, extending and formalizing the methodology for delamination growth. This paper documents the development of the Jacobians associated with delamination propagation under quasi-static mixed-mode conditions, leading to improvements in convergence of the implicit nonlinear solvers used.

Mabson, G. E.↗

NASA NTRS2018

VCCT with Progressive Nodal Release for Simulating Mixed-Mode Delamination: Formulation, Algorithmic Improvements and Implications

G E Mabson↗

DOE OSTI2020

Systems for mechanical logic based on additively manufacturable micro-mechanical logic gates

The present disclosure is directed to various mechanical logic gates. In one example a mechanical logic NOT gate system is formed which has a first pair of bi-stable buckling structures each being operatively connected at a first connection point thereof to one another, and also to a first rigid structure at second connection points, the first rigid structure being held stationary. A second pair of bi-stable buckling flexures is each operatively connected at first connection points thereof to each other and at second connection points thereof to a second rigid structure being held stationary. An output element is coupled a first one of each of the first and second pairs of bi-stable buckling structures. An input element is coupled to a second one of each of the first and second pairs of bi-stable buckling structures. The output element moves from a logic 1 position to a logic 0 position in response to movement of the input element from a logic 0 position to a logic 1 positions, respectively.

42 ENGINEERING↗

NASA NTRS2018

Electrohydrodynamic (EHD) Refrigerant Pump

An electrohydrodynamic (EHD) pump increases refrigerant flow rate and the resulting pressure in a vapor compression based cooling system for permitting reduced compressor sizes and power demands. The EHD pump disposes electrodes in a liquid path of the refrigerant flow, and increases fluid flow and resulting pressure by an induced liquid flow between a pair of asymmetric electrodes. Voltage applied to these electrodes results in a conduction pumping mechanism associated with heterocharge layers in the vicinity of the electrodes based on disassociation of a neutral electrolyte species in the refrigerant fluid and recombination of the generated ions. The induced flow draws the liquid due to a net fluid flow toward one of the electrodes based on the asymmetry of the electrode pair. Electrodes are disposed on an inner surface of a refrigerant vessel, in communication with an annular liquid film that forms around the inner circumference in two-phase fluid systems.

Yagoobi, Jamal S.↗

DOE OSTI2023

Charge transfer as a mechanism for chlorophyll fluorescence concentration quenching

Highly concentrated solutions of chlorophyll display rapid fluorescence quenching. The same devastating energy loss is not seen in photosynthetic light-harvesting antenna complexes, despite the need for chromophores to be in close proximity to facilitate energy transfer. A promising, though unconfirmed mechanism for the observed quenching is energy transfer from an excited chlorophyll monomer to a closely associated chlorophyll pair that subsequently undergoes rapid nonradiative decay to the ground state via a short-lived intermediate charge-transfer state. In this work, we make use of newly emerging fast methods in quantum chemistry to assess the feasibility of this proposed mechanism. We calculate rate constants for the initial charge separation, based on Marcus free-energy surfaces extracted from molecular dynamics simulations of solvated chlorophyll pairs, demonstrating that this pathway will compete with fluorescence (i.e., drive quenching) at experimentally measured quenching concentrations. We show that the rate of charge separation is highly sensitive to interchlorophyll distance and the relative orientations of chromophores within a quenching pair. We discuss possible solvent effects on the rate of charge separation (and consequently the degree of quenching), using the light-harvesting complex II (LH2) protein from rps. acidophila as a specific example of how this process might be controlled in a protein environment. Crucially, we reveal that the LH2 antenna protein prevents quenching, even at the high chlorophyll concentrations required for efficient energy transfer, by restricting the range of orientations that neighboring chlorophyll pairs can adopt.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Cluster dynamics simulation of xenon diffusion during irradiation in UO 2

Diffusion of fission gas in UO 2 nuclear fuel impacts several important performance metrics, such as fission gas release, swelling, and thermal conductivity. Current empirical models of fission gas release have significant uncertainty, some of which derives from the bulk diffusion rate and its dependence on, for example, fuel chemistry and irradiation. In this work, we have applied the previously-developed Free Energy Cluster Dynamics (FECD) methodology in the code Centipede to calculate xenon cluster concentrations in UO 2 under intrinsic (high temperature) and irradiation-enhanced (intermediate temperature) conditions in order to develop a model of the xenon diffusion coefficient based on the atomic scale mechanisms responsible for transport. While the diffusion mechanism for xenon in UO 2 is adequately described by the Xe + U 2 O vacancy cluster for intrinsic conditions, a similar process is not capable of capturing measured in-pile fission gas diffusivity at intermediate temperatures. Therefore, a different diffusion mechanism must dominate under this regime. Using calculated atomistic data, we have shown that irradiation-enhanced diffusion at intermediate temperatures occurs via the larger Xe + U 4 O y vacancy clusters, which have lower migration barriers and increase in concentration by several orders of magnitude compared to intrinsic conditions. This mechanism is enabled by the increased uranium vacancy concentration under irradiation due to Frenkel pair production. In addition, the fast migration of uranium interstitials with two attached oxygen interstitials lowers the total uranium interstitial concentration through reactions with sinks. This allows the extended defects, such as Xe + U 4 O y vacancy clusters, to maintain high concentrations by limiting annihilation with attached vacancies. Furthermore, predictions using the Xe + U 4 O y diffusion mechanism are in good agreement with experiment, albeit with some differences in the Arrhenius slope, which we believe may be related to either experimental or model parameter uncertainty. Lastly, an analytical expression suitable for application in fuel performance simulations was derived to capture the predictions of the Centipede simulations.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Anyon superconductivity from topological criticality in a Hofstadter–Hubbard model

We argue that the combination of strong repulsive interactions and high magnetic fields can generate electron pairing and superconductivity. Inspired by the large lattice constants of moiré materials, which make large flux per unit cell accessible at laboratory fields, we study the triangular lattice Hofstadter-Hubbard model at one-quarter flux quantum per plaquette, where previous literature has argued that a chiral spin liquid separates a weak-coupling integer quantum Hall phase and a strong-coupling topologically trivial antiferromagnetic insulator at a density of one electron per site. We argue that topological superconductivity emerges upon doping in the vicinity of the integer quantum Hall to chiral spin liquid transition. We employ exact diagonalization and density matrix renormalization group methods to examine this theoretical scenario and find that electronic pairing indeed occurs on both sides of criticality over a remarkably broad range of interaction strengths. On the chiral spin liquid side, our results provide a concrete model realization of the long-hypothesized mechanism of anyon superconductivity. Our study thus establishes a beyond-Bardeen-Cooper-Schrieffer route to electron pairing in a well-controlled limit, relying crucially on the interplay between electron correlations and band topology.

Hubbard model↗

NASA NTRS1993

Ballistic Models for Radio Jets in Colliding Galaxies: 3C 278 (NGC 4782/4783)

We present here a general numerical simulation algorithm for ballistic radio jets. The evolution of the jets is determined by their response to mechanical forces (i.e., gravity and ram pressure). Using a previously derived collision model for the interacting pair of elliptical galaxies NGC 4782/4783, we have used this algorithm to simulate the specific two-sided jet morphology seen in the radio source associated with NGC 4782 (3C 278). This is the first time such simulations have been attempted for a galaxy pair whose relative orbit was determined independently from the jet modeling. The general morphological features of the jets in 3C 278 (e.g., position angles, lengths, curvature, and deflection angles) are well matched by the simulations, indicating that our model of the mechanical forces acting on the jets can indeed reproduce most of the basic details of the jet morphology and thereby provide an opportunity to model a combination of detailed optical, radio, and X-ray data for a wide variety of interacting radio-jet galaxies. Our models constrain the initial jet parameters (i.e., the ejection speed, direction, and starting time), the properties of the gaseous medium into which the jets are ejected, and the relative importance of gravitational deflection versus ram pressure bending in influencing the jet morphology. For 3C 278, we find that the effects of ram pressure dominate the structural evolution of the jets. In our best-fit simulation the jet ejection speed is of order 10(exp 4) km/s, to within 50%, suggesting that similar low-luminosity radio jets are also significantly subluminal. We also find that the jets are ejected within approximately 5 deg of the line of sight, the ISM in the nonjet galaxy has a much larger effect on the jet deflection than does the host galaxy, and the jet activity began just over 70 million years ago, roughly 50 million years before the pericenter passage of the two galaxies. Therefore, the onset of nuclear activity appears in 3C 278 to be related to the kinematically observed tidal shock that has been induced in the core of NGC 4782 as a result of its deeply penetrating collision with NGC 4783.

Borne, Kirk D.↗

NASA NTRS2000

Analysis of the Radar Reflectivity of Aircraft Vortex Wakes

Radar has been proposed as a way to track wake vortices to reduce aircraft spacing and tests have revealed radar echoes from aircraft wakes in clear air. The results are always interpreted qualitatively using Tatarski's theory of weak scattering by isotropic atmospheric turbulence. The goal of the present work was to predict the value of the radar cross-section (RCS) using simpler models. This is accomplished in two steps. First, the refractive index is obtained. Since the structure of the aircraft wakes is different from atmospheric turbulence, three simple mechanisms specific to vortex wakes are considered: (1) Radial density gradient in a two-dimensional vortex, (2) three-dimensional fluctuations in the vortex cores, and (3) Adiabatic transport of the atmospheric fluid in a two-dimensional oval surrounding the pair of vortices. The index of refraction is obtained more precisely for the two-dimensional mechanisms than for the three-dimensional ones. In the second step, knowing the index of refraction, a scattering analysis is performed. Tatarski's weak scattering approximation is kept but the usual assumptions of a far-field and a uniform incident wave are dropped. Neither assumption is generally valid for a wake that is coherent across the radar beam. For analytical insight, a simpler approximation that invokes, in addition to weak scattering, the far-field and wide cylindrical beam assumptions, is also developed and compared with the more general analysis. The predicted RCS values for the oval surround the vortices (mechanism C) agree with the experiments of Bilson conducted over a wide range of frequencies. However, the predictions have a cut-off away from normal incidence which is not present in the measurements. Estimates suggest that this is due to turbulence in the baroclinic vorticity generated at the boundary of the oval. The reflectivity of a vortex itself (mechanism A) is comparable to that of the oval (mechanism C) but cuts-off at frequencies lower than those considered in all the experiments to date. The RCS of a vortex happens to peak at the frequency (about 49 MHz) where atmospheric radars (known as ST radars) operate and so the present prediction could be verified in the future. Finally , we suggest that hot engine exhaust could increase RCE by 40 db and reveal vortex circulation, provided its mixing with the surroundings is prevented in the laminarising flow of the vortices.

Shariff, Karim↗

DOE OSTI2022

Kuramoto synchronization of quantum tunneling polarons for describing the dynamic structure in cuprate superconductors

A major open topic in cuprates is the interplay between the lattice and electronic dynamics and the importance of their coupling to the mechanism of high-temperature superconductivity (HTSC). As evidenced by extended x-ray absorption fine structure (EXAFS) experiments, anharmonic structural effects are correlated with the charge dynamics and the transition to a superconducting phase in different HTSC compounds. Here, in this paper, we describe how structural anharmonic effects can be coupled to electronic and lattice dynamics in cuprate systems by performing the exact diagonalization of a prototype anharmonic many-body Hamiltonian on a relevant 6-atom cluster and show that the EXAFS results can be understood as a Kuramoto synchronization transition between coupled internal quantum tunneling of polarons associated with the two-site distribution of the copper–apical oxygen (Cu-O ap ) pair in the dynamic structure. The transition is driven by the anharmonicity of the lattice vibrations and promotes the pumping of charge, initially stored at the apical oxygen reservoirs, into the copper-oxide plane. Simultaneously, a finite projection of the internal quantum tunneling polaron extends to the copper–planar oxygen (Cu-O pl ) pair. All these findings allow an interpretation based on an effective quantum-mechanical triple-well potential associated with the oxygen sites of the 6-atom cluster, which accurately represents the phase synchronization of apical oxygens and lattice-assisted charge transfer to the CuO 2 plane.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2022

Lewis acid–base pair doping of p-type organic semiconductors

Doping is required to increase the electrical conductivity of organic semiconductors for uses in electronic and energy conversion devices. The limited number of commonly used p-type dopants suggests that new dopants or doping mechanisms could improve the efficiency of doping and provide new means for processing doped polymers. Drawing on Lewis acid–base pair chemistry, we combined Lewis acid dopant B(C 6 F 5 ) 3 (BCF) with the weak Lewis base benzoyl peroxide (BPO). The detailed behavior of p-type doping of the model polymer poly(3-hexylthiophene) (P3HT) with this Lewis acid–base pair in solution was examined. Solution 19F-NMR spectra confirmed the formation of the expected counterion, as well as side products from reactions with solvent. BCF : BPO was also found to efficiently dope a range of semiconducting polymers with varying chemical structures demonstrating that the BCF : BPO combination has an effective electron affinity of at least 5.3 eV. In thin films of regioregular P3HT cast from the doped solutions, delocalized polarons formed due to the large counterions leading to a large polaron-counterion distance. At and above 0.2 eq. BCF : BPO doping, amorphous areas of the film became doped, disrupting the structural order of the films. Despite the change in structural order, thin films of regioregular P3HT doped with 0.2 eq. BCF : BPO had a conductivity of 25 S cm -1 . This study demonstrates the effectiveness of a two-component Lewis acid–base doping mechanism and suggests additional two-component Lewis acid–base chemistries should be explored.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Natural selection maintains species despite frequent hybridization in the desert shrub Encelia

Natural selection is an important driver of genetic and phenotypic differentiation between species. For species in which potential gene flow is high but realized gene flow is low, adaptation via natural selection may be a particularly important force maintaining species. For a recent radiation of New World desert shrubs ( Encelia : Asteraceae), we use fine-scale geographic sampling and population genomics to determine patterns of gene flow across two hybrid zones formed between two independent pairs of species with parapatric distributions. After finding evidence for extremely strong selection at both hybrid zones, we use a combination of field experiments, high-resolution imaging, and physiological measurements to determine the ecological basis for selection at one of the hybrid zones. Our results identify multiple ecological mechanisms of selection (drought, salinity, herbivory, and burial) that together are sufficient to maintain species boundaries despite high rates of hybridization. Given that multiple pairs of Encelia species hybridize at ecologically divergent parapatric boundaries, such mechanisms may maintain species boundaries throughout Encelia .

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS1982

Processes in relativistic plasmas

The establishment and maintenance of a Boltzmann distribution in particle kinetic energies is investigated for a plasma with theta = KTe/mc-squared much greater than unity, where m is the electron mass. It is shown that thermalization of the electron gas by binary collisions is not sufficiently effective to maintain the equilibrium distribution when other processes that perturb the equilibrium are taken into account. Electron-positron pair production in electron-electron and electron-ion collisions, and perturbations of a Boltzmann distribution by nonthermal processes are evaluated. Thermalization by means of other mechanisms, such as interaction with plasma waves is discussed, and the opacity of a relativistic plasma is computed for Compton scattering, pair production in the fields of electrons and ions, inverse bremsstrahlung, and synchrotron self-absorption.

Gould, R. J.↗

DOE OSTI2021

3d-Orbital Occupancy Regulated Ir-Co Atomic Pair Toward Superior Bifunctional Oxygen Electrocatalysis

Atomically dispersed metal catalysts are hailed as the most promising catalyst category for oxygen electrocatalysis. However, the challenges in regulating electronic configuration and unveiling the mechanism on the atomic scale are hindering their practical implementation. Herein, we modulate the Co d-orbital electron configuration by constructing the Ir–Co atomic pair toward boosted bifunctional activity. The as-developed dual-atom IrCo–N–C catalyst displays unprecedented activity with a half-wave potential of 0.911 V for oxygen reduction reaction and only 330 mV overpotential at 10 mA cm –2 for oxygen evolution reaction, outperforming the single-atom counterparts as well as the commercial Pt/C and Ir/C benchmarks. The impressive bifunctionality is also verified in a Zn–air battery prototype with an ultra-high cyclability over 450 cycles. Furthermore, theoretical calculations are performed to shed light on the synergetic effects of the atomic pair site, where the incorporation of Ir atom alters the d-orbital energy level of Co and thus induces the re-arrangement of d-electron toward intensified spin polarization. As a result, the lower occupancy of d z 2 orbital facilitates the electron acceptation from oxygen to form a stronger Co–O σ bond, thereby propelling faster reaction kinetics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1975

A non-thermal mechanism for forcing cumulonimbus cloud

Within the thunderstorm there is an extensive region of collision between airflows having different transports of momentum. The inflow-updraft should interact with cloud layer environmental wind to produce counter-rotating vortex pairs somewhat like those produced in the laboratory by a jet in a crossflow. Atmospheric evidence of vortex pairs for severe thunderstorms is shown from measurements made by aircraft and by radar. A model of a non-thermal mechanism for low pressure centers in thunderstorms is developed which scales from the laboratory to the atmosphere using a turbulence Reynolds number, a velocity ratio and the diameter of the updraft. Central pressure deficits and vorticity of lee vortices scaled up from the laboratory observations are consistent with the few available thunderstorm measurements. The model is used to explain deviate motion of thunderstorms as well as to suggest a mechanism for tornado development and movement.

Connell, J.↗

DOE OSTI2021

Slip-free multiplication and complexity of dislocation networks in FCC metals

Abstract During plastic deformation of crystalline solids, intricate networks of dislocation lines form and evolve. To capture dislocation density evolution, prominent theories of crystal plasticity assume that 1) multiplication is driven by slip in active slip systems and 2) pair-wise slip system interactions dominate network evolution. In this work, we analyze a massive database of over 100 discrete dislocation dynamics simulations (with cross-slip suppressed), and our findings bring both of these assumptions into question. We demonstrate that dislocation multiplication is commonly observed on slip systems with no applied stress and no plastic strain rate, a phenomenon we refer to as slip-free multiplication. We show that while the formation of glissile junctions provides one mechanism for slip-free multiplication, additional mechanisms which account for the influence of coplanar interactions are needed to fully explain the observations. Unlike glissile junction formation which results from a binary reaction between a pair of slip systems, these new multiplication mechanisms require higher order reactions that lead to complex network configurations. While these complex configurations have not been given much attention previously, they account for about 50% of the line intersections in our database.

36 MATERIALS SCIENCE↗

DOE OSTI2023

The influence of thermomechanical treatment pathways on texture and mechanical properties in ARB Cu/Nb nanolaminates

Accumulative roll-bonded Cu/Nb nanolaminates (ARB Cu/Nb) possess high strength, thermal stability, and radiation tolerance arising from a high content of heterophase interfaces at fine layer thicknesses. These properties can be tailored by processing parameters used in the ARB Cu/Nb fabrication process, in which layer thickness, thermal history, and strain pathway determine the interface types and resultant properties found in the material. In this work, we subject ARB Cu/Nb to annealing, and then two different rolling pathways – one where rolling direction is held constant (longitudinal rolling, or LR), and one where rolling direction is rotated by 90º and held constant thereafter (cross rolling, or CR). Rolling is performed on ARB Cu/Nb over a targeted range of layer thicknesses from 193 to 25 nm and resultant bulk textures measured by neutron diffraction are correlated with mechanical properties measured by miniaturized tensile tests. The annealing procedure sharpens texture in both phases. We find that Cu mostly develops the same texture in LR and CR. In contrast, Nb develops a distinct texture along the CR pathway that is distinct from the LR texture. The composite texture of Cu/Nb is thus distinct between LR and CR pathways. This difference in texture development between Cu and Nb as a function of strain after change in rolling direction demonstrates the viability for deliberate pairing of Cu LR and Nb CR textures at a desired layer thickness. For mechanical properties, we find that differences in texture do not result in yield or flow stress differences above a layer thickness of 25 nm. Below a layer thickness of 25 nm, despite similar Taylor factors, yield and flow stress and are significantly different. In conclusion, this indicates texture only influences mechanical behavior at low layer thickness, where interface structure dominates mechanical properties.

36 MATERIALS SCIENCE↗