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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 199 records · Page 11

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NASA NTRS1990

HyperCLIPS: A HyperCard interface to CLIPS

HyperCLIPS combines the intuitive, interactive user interface of the Apple Macintosh(TM) with the powerful symbolic computation of an expert system interpreter. HyperCard(TM) is an excellent environment for quickly developing the front end of an application with buttons, dialogs, and pictures, while the CLIPS interpreter provides a powerful inference engine for complex problem solving and analysis. By integrating HyperCard and CLIPS the advantages and uses of both packages are made available for a wide range of uses: rapid prototyping of knowledge-based expert systems, interactive simulations of physical systems, and intelligent control of hypertext processes, to name a few. Interfacing HyperCard and CLIPS is natural. HyperCard was designed to be extended through the use of external commands (XCMDs), and CLIPS was designed to be embedded through the use of the I/O router facilities and callable interface routines. With the exception of some technical difficulties which will be discussed later, HyperCLIPS implements this interface in a straight forward manner, using the facilities provided. An XCMD called 'ClipsX' was added to HyperCard to give access to the CLIPS routines: clear, load, reset, and run. And an I/O router was added to CLIPS to handle the communication of data between CLIPS and HyperCard.

Pickering, Brad↗

DOE OSTI2023

A quantum trajectory picture of single photon absorption and energy transport in photosystem II

Here, we use quantum trajectory theory to study the dynamics of the first step in photosynthesis for a single photon interacting with photosystem II (PSII). By considering individual trajectories we are able to look beyond the ensemble average dynamics to compute the PSII system evolution conditioned upon individual photon counting measurements. Measurements of the transmitted photon beam strongly affects the system state, since detection of an outgoing photon confirms that the PSII must be in the electronic ground state, while a null measurement implies it is in an excited electronic state. We show that under ideal conditions, observing the null result transforms a state with a low excited state population to a state with nearly all population contained in the excited states. We study the PSII dynamics conditioned on such photon counting for both a pure excitonic model of PSII and a more realistic model with exciton-phonon coupling to a dissipative phononic environment. In the absence of such coupling, we show that the measured fluorescence rates show oscillations constituting a photon-counting witness of excitonic coherence. Excitonic coupling to the phonon environment has a strong effect on the observed rates of fluorescence, damping the oscillations. Addition of non-radiative decay and incoherent transitions to radical pair states in the reaction center to the phononic model allows extraction of a quantum efficiency of 92.5% from the long-time evolution, consistent with bulk experimental measurements.

Coherent states↗

NASA NTRS2010

Integration of Apollo Lunar Sample Data into Google Moon

The Google Moon Apollo Lunar Sample Data Integration project is a continuation of the Apollo 15 Google Moon Add-On project, which provides a scientific and educational tool for the study of the Moon and its geologic features. The main goal of this project is to provide a user-friendly interface for an interactive and educational outreach and learning tool for the Apollo missions. Specifically, this project?s focus is the dissemination of information about the lunar samples collected during the Apollo missions by providing any additional information needed to enhance the Apollo mission data on Google Moon. Apollo missions 15 and 16 were chosen to be completed first due to the availability of digitized lunar sample photographs and the amount of media associated with these missions. The user will be able to learn about the lunar samples collected in these Apollo missions, as well as see videos, pictures, and 360 degree panoramas of the lunar surface depicting the lunar samples in their natural state, following collection and during processing at NASA. Once completed, these interactive data layers will be submitted for inclusion into the Apollo 15 and 16 missions on Google Moon.

Dawson, Melissa D.↗

DOE OSTI2025

Role of effective mass and long-range interactions in the band-gap renormalization of photoexcited semiconductors

Understanding how to control changes in the electronic structure and related dynamical renormalizations by external driving fields is the key for understanding ultrafast spectroscopy and applications in electronics. Here, we focus on the band gap's modulation by external electric fields and uncover the effect of band dispersion on the gap renormalization. We employ the Green's function formalism using the real-time Dyson expansion to account for dynamical correlations induced by photodoping. The many-body formalism captures the dynamics of systems with long-range interactions, carrier mobility, and variable electron and hole effective mass. We also demonstrate that mean-field simulations based on the Hartree-Fock Hamiltonian, which lacks dynamical correlations, yields a qualitatively incorrect picture of band-gap renormalization. We find the trend that increasing effective mass, thus decreasing mobility, leads to as much as a 6% enhancement in band-gap renormalization. Further, the renormalization is strongly dependent on the degree of photodoping. As the screening induced by free electrons and holes effectively reduces any long-range and interband interactions for highly excited systems, we show that there is a specific turnover point with a minimal band gap. Here, we further demonstrate that the optical gap renormalization follows the same trend though its magnitude is altered by the Moss-Burstein effect.

Approximation methods for many-body systems↗

NASA NTRS2005

Studies of Particle Acceleration, Transport and Radiation in Impulsive Phase of Solar Flares

Solar activity and its most prominent aspect, the solar flares, have considerable influence on terrestrial and space weather. Solar flares also provide a suitable laboratory for the investigation of many plasma and high energy processes important in the magnetosphere of the Earth and many other space and astrophysical situations. Hence, progress in understanding of flares will have considerable scientific and societal impact. The primary goal of this grant is the understanding of two of the most important problems of solar flare physics, namely the determination of the energy release mechanism and how this energy accelerates particles. This is done through comparison of the observations with theoretical models, starting from observations and gradually proceeding to theoretically more complex situations as the lower foundations of our understanding are secured. It is generally agreed that the source of the flare energy is the annihilation of magnetic fields by the reconnection process. Exactly how this energy is released or how it is dissipated remains controversial. Moreover, the exact mechanism of the acceleration of the particles is still a matter of debate. Data from many spacecrafts and ground based instruments obtained over the past decades have given us some clues. Theoretical analyses of these data have led to the standard thick target model (STT) where most of the released energy goes into an (assumed) power law spectrum of accelerated particles, and where all the observed radiations are the consequence of the interaction of these particles with the flare plasma. However, some theoretical arguments, and more importantly some new observations, have led us to believe that the above picture is not complete. It appears that plasma turbulence plays a more prominent role than suspected previously, and that it is the most likely agent for accelerating particles. The model we have developed is based on production of a high level of plasma waves and turbulence in the reconnection region above a flare loop. This turbulence accelerates particles stochastically which radiate some of their energy in this region but carry most of their energy to the footpoints of the loop, where they lose all their energy and radiate bulk of the observed radiation as in the traditional thick target model. In the past we have worked on various aspects of this model. We have evaluated the interaction rates of the plasma waves with electrons and ions, developed theoretical frameworks for the acceleration, transport and radiative processes, and produced numerical codes for the investigation of these processes. The goal of this grant has been further development and testing of this new paradigm, with emphases on the relative acceleration of electrons and ions and on a comprehensive investigation of the turbulence generation, cascade, and damping processes. We review several pieces of important evidence that we have uncovered indicating the crucial roles of turbulence, in and we describe accomplishments during the past two years of this grant.

Petrosian, Vahe↗

DOE OSTI2022

Correlating confinement to topological fluctuations near the crossover transition in QCD

We show the existence of strong (anti)correlations between the topological hot spots and the local values of the trace of the Polyakov loop in 2 + 1 flavor QCD with physical quark mass, in the vicinity of the crossover transition corresponding to the simultaneous restoration of chiral symmetry and deconfinement. Using sophisticated lattice techniques, we have carefully identified the topological hot spots using quark zero modes and measured the short-distance fluctuations of the Polyakov loop about them, showing how the latter is repelled quite strongly around the peak of the zero modes. Though we could explain some aspects of these correlations within the instanton-dyon picture, our work sets the stage for a larger goal towards a systematic study of the role of different topological species that interact with the Polyakov loop, establishing the strong connection between topology and confinement.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1990

Particle Cloud Flames in Acoustic Fields

Results are presented on a study of flames supported by clouds of particles suspended in air, at pressures about 100 times lower than normal. In the experiment, an acoustic driver (4-in speaker) placed at one end of a closed tube, 0.75-m long and 0.05 m in diameter, disperses a cloud of lycopodium particles during a 0.5-sec powerful acoustic burst. Properties of the particle cloud and the flame were recorded by high-speed motion pictures and optical transmission detectors. Novel flame structures were observed, which owe their features to partial confinement, which encourages flame-acoustic interactions, segregation of particle clouds into laminae, and penetration of the flame's radiative flux density into the unburned particle-cloud regimes. Results of these experiments imply that, for particles in confined spaces, uncontrolled fire and explosion may be a threat even if the Phi(0) values are below some apparent lean limit.

Berlad, A. L.↗

NASA NTRS1990

DNA dynamics in aqueous solution: opening the double helix

The opening of a DNA base pair is a simple reaction that is a prerequisite for replication, transcription, and other vital biological functions. Understanding the molecular mechanisms of biological reactions is crucial for predicting and, ultimately, controlling them. Realistic computer simulations of the reactions can provide the needed understanding. To model even the simplest reaction in aqueous solution requires hundreds of hours of supercomputing time. We have used molecular dynamics techniques to simulate fraying of the ends of a six base pair double strand of DNA, [TCGCGA]2, where the four bases of DNA are denoted by T (thymine), C (cytosine), G (guanine), and A (adenine), and to estimate the free energy barrier to this process. The calculations, in which the DNA was surrounded by 2,594 water molecules, required 50 hours of CRAY-2 CPU time for every simulated 100 picoseconds. A free energy barrier to fraying, which is mainly characterized by the movement of adenine away from thymine into aqueous environment, was estimated to be 4 kcal/mol. Another fraying pathway, which leads to stacking between terminal adenine and thymine, was also observed. These detailed pictures of the motions and energetics of DNA base pair opening in water are a first step toward understanding how DNA will interact with any molecule.

NASA Discipline Number 52-20↗

DOE OSTI2024

Direct and Inverse Photoelectron Spectroscopy Evidence for a Revised Picture of Electronic States of Negative Polarons in n‐Doped C 60

Abstract Determining the electronic levels associated with polarons, the fundamental charge carriers in organic semiconductors, is key to understanding the charge transport properties of these materials. Recent findings challenge the traditional view of these electronic levels by highlighting the importance of intra‐molecular Coulomb interactions in polarons. Experimental evidence was previously presented for a revised model of the negative polaron in the case of the polymer semiconductor poly(NDI2OD‐T 2 ); there, the addition of an excess electron was seen to lead to the emergence of a singly occupied state within the energy gap of the undoped material and an unoccupied state above the edge of the conduction states . Here, focus is on a small‐molecule semiconductor, C 60 , and spectral evidence is provided of a similar picture for the new states appearing upon polaron formation. Specifically, direct and inverse photoemission spectroscopy is used to investigate the density of states in C 60 films n‐doped with two dimeric dopants. The Coulomb interaction energy (Hubbard U ) of the C 60 anion is experimentally determined to be ≈1.1 eV, a value that aligns closely with theoretical predictions.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Search for interacting galaxy clusters from SDSS DR-17 employing optimized friends-of-friends algorithm and multimessenger tracers

ABSTRACT In the theoretical framework of hierarchical structure formation, galaxy clusters evolve through continuous accretion and mergers of substructures. Cosmological simulations have revealed the best picture of the universe as a 3D filamentary network of dark-matter distribution called the cosmic web. Galaxy clusters are found to form at the nodes of this network and are the regions of high merging activity. Such mergers being highly energetic, contain a wealth of information about the dynamical evolution of structures in the Universe. Observational validation of this scenario needs a colossal effort to identify numerous events from all-sky surveys. Therefore, such efforts are sparse in literature and tend to focus on individual systems. In this work, we present an improved search algorithm for identifying interacting galaxy clusters and have successfully produced a comprehensive list of systems from SDSS DR-17. By proposing a set of physically motivated criteria, we classified these interacting clusters into two broad classes, ‘merging’ and ‘pre-merging/postmerging’ systems. Interestingly, as predicted by simulations, we found that most cases show cluster interaction along the prominent cosmic filaments of galaxy distribution (i.e. the proxy for dark matter filaments), with the most violent ones at their nodes. Moreover, we traced the imprint of interactions through multiband signatures, such as diffuse cluster emissions in radio or X-rays. Although we could not find direct evidence of diffuse emission from connecting filaments and ridges; our catalogue of interacting clusters will ease locating such faintest emissions as data from sensitive telescopes such as eROSITA or SKA, becomes accessible.

Oak, Tejas↗

DOE OSTI2025

Coupling between collective modes in the deformed 98 Zr nucleus: Insights from consistent HFB + QRPA calculations with the Gogny interaction

The zirconium isotopes exhibit structural properties that present multiple challenges to nuclear theory. Investigations of the coupling present within isoscalar modes and within isovector modes are scarce but important for advancing our understanding of the microscopic picture of nuclei. To explore some of these underlying coupling features, and to test the predictive power of a state-of-the-art nuclear structure approach, we provide a detailed analysis of the properties of 90,96,98 Zr . This region includes a benchmarking case and offers insights into nuclear deformation phenomena. Here, to investigate the coupling between collective modes in deformed nuclei, we focused our analysis on the ground and excited-state properties of these isotopes, employing a consistent approach with the axially symmetric deformed Hartree-Fock-Bogoliubov (HFB) and the quasiparticle random phase approximation (QRPA) framework, both using the Gogny D1M force. This approach effectively describes both low-lying and giant-resonance states. We devoted special attention to the deformed 98 Zr nucleus, where we confirm the existence of coupling between monopole and quadrupole excitations through the 𝐾 𝜋 = 0 + QRPA components and demonstrate an analogous dipole-octupole coupling through the 𝐾 𝜋 = 0 − and 𝐾 𝜋 = 1 − components. Intrinsic transition densities and associated radial projections illustrate the coupling. Our work complements and extends earlier studies carried out using density-functional-based methods and notably, we included the complete Coulomb interaction also in the pairing fields, i.e., we treat terms exactly that are approximated in typical calculations that use the Gogny D1 and D2 interaction families.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2025

Coupling between collective modes in the deformed 98 Zr nucleus: Insights from consistent HFB+QRPA calculations with the Gogny interaction

The Zirconium isotopes exhibit structural properties that present multiple challenges to nuclear theory. Investigations of the coupling present within isoscalar modes and within isovector modes are scarce but important for advancing our understanding of the microscopic picture of nuclei. To explore some of these underlying coupling features, and to test the predictive power of a state-of the-art nuclear structure approach, we provide a detailed analysis of the properties of 90,96,98Zr. This region includes a benchmarking case and offers insights into nuclear deformation phenomena. To investigate the coupling between collective modes in deformed nuclei, we focused our analysis on the ground and excited-state properties of these isotopes, employing a consistent approach with the axially-symmetric deformed Hartree-Fock-Bogoliubov (HFB) and the Quasiparticle Random Phase Approximation (QRPA) framework, both using the Gogny D1M force. This approach effectively describes both low-lying and giant-resonance states. We devoted special attention to the deformed 98Zr nucleus, where we confirm the existence of coupling between monopole and quadrupole excitations through the K π = 0 + QRPA components and demonstrate an analogous dipole-octupole coupling through the K π = 0 − and K π = 1 − components. Intrinsic transition densities and associ ated radial projections illustrate the coupling. Our work complements and extends earlier studies carried out using density-functional-based methods and notably, we included the complete Coulomb interaction also in the pairing fields, i.e. we treat terms exactly that are approximated in typical calculations that use the Gogny D1 and D2 interaction families.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

DOE OSTI2026

Plasmonic Hybridization and Near-Field Localization in Gold “Dog Bone” Nanoparticles

Gold nanoparticles with complex anisotropic geometries offer unique opportunities for tailoring plasmonic near-fields beyond the limits of conventional nanorods. Here we combine photon-induced near-field electron microscopy (PINEM) and full-wave simulations to resolve plasmon hybridization and near-field localization in gold dog-bone nanoparticles and their dimers with and without conformal SiO 2 shells. We demonstrate that the dog-bone geometry drives unconventional polarization-dependent field confinement, including pronounced tip-localized near-fields under both longitudinal and transverse excitation. Conformal SiO 2 shells red-shift the plasmon resonances through dielectric screening and prevent charge-transfer coupling in adjacent dimers. Depending on the dimer orientation and excitation polarization, coupled structures exhibit distinct bonding- and antibonding-like hybridized modes as well as interparticle near-field channels. However, weakly interacting dimers retain largely independent particle responses with geometry-governed asymmetries. The close agreement between PINEM measurements and simulations establishes a direct picture of how shape, dielectric environment, and nanoscale coupling together define plasmonic modes in complex anisotropic nanoparticles. These findings provide design principles for engineering localized optical fields in plasmonic nanoscale structures.

hybridization↗

DOE OSTI2021

The Illumination of Thunderclouds by Lightning: 4. Volumetric Thunderstorm Imagery

Optical instruments such as the Geostationary Lightning Mapper (GLM) detect lightning based on transient changes in cloud illumination. The horizontal location of lightning is determined from the coordinates of the pixels on the imaging array illuminated during the flash. However, the vertical position of the lightning pulses (approximated by GLM “groups”) below the cloud top cannot be routinely measured from a single space-based instrument. In our prior work, we have developed a machine learning algorithm that can infer optical source altitude for a given pulse based on how the optical energy is distributed across the group footprint and the local Advanced Baseline Imager Cloud-Top Height (CTH). In this fourth part of our thundercloud illumination study, we leverage these source altitudes to generate volumetric GLM imagery of a Colombia thunderstorm. We find that 3D versions of the current GLM meteorological imagery products (that describe thunderstorm kinematics) and thundercloud imagery products (that depict how the flashes appear from space) provide additional insights into lightning activity in the thunderstorm that are lost in the vertical integration used to generate the current 2D GLM gridded products. This new volumetric imaging capability provides a more comprehensive picture of where lightning occurs in the storm, how its physical characteristics vary across three-dimensional space, and how its optical emissions interact with surrounding the cloud medium.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1986

Ion composition results during the International Cometary Explorer encounter with Giacobini-Zinner

The International Cometary Explorer spacecraft passed through the coma of comet Giacobini-Zinner about 7800 kilometers antisunward of the nucleus on September 11, 1985. The ion composition instrument was sensitive to ambient ions with mass-to-charge ratios in the ranges 1.4 to 3 atomic mass units per electron charge (amu/e) and 14 to 33 amu/e. Initial interpretation of the measurements indicates the presence of H2O(+), H3O(+), probably CO(+) and HCO(+), and ions in the mass range 23 to 24; possible candidates are Na(+) and Mg(+) and Mg(+). In addition to these heavy ions, measured over the velocity range 80 to 223 kilometers per second, the instruments measured He(2+) of solar wind origin over the range 237 to 463 kilometers per second. The heavy ions have a velocity distribution which indicates that they have been picked up by the motional electric field, whereas the light ions are steadily decelerated as the comet tail axis is approached. These results are in agreement with the picture of a comet primarily consisting of water ice, together with other material, that sublimes, streams away from the nucleus, becomes ionized, and interacts with the solar wind.

Ogilvie, K. W.↗

NASA NTRS1991

Determination of the Critical Parameters for Remote Microscope Control

As part of a program to determine the capabilities of Telescience as applied to Microgravity Materials Science the need for a remotely controlled microscope was recognized. For this purpose we equipped a microscope with an X-Y-Z positioning device and motors on the zoom and focus controls. Computer control of these devices allowed remote operation. A standard TV camera was mounted to the computer controlled video board which could compress the image in resolution and grey scale. The operator control console was programmed to display three still video pictures as well as provide command access. A standard data transfer network was used to transmit the video data files and the command interaction was via a high speed phone modem. This system, with the microscope in the Microgravity Materials Science Laboratory (MMSL) at LeRC and the control at RPI, was used to determine the accuracy of setting, time required to achieve setting and the operator ease factor. It was found that the focus setting could be established well within the resolution limit of the TV system and that each motion took about 50 seconds and approximately 12 minutes was required to reach ?best? focus. These times could be reduced significantly with operator experience. The operators were provided with ancillary equipment which provided assistance in making the necessary decisions and they reported satisfaction with the control.

Hahn, R. C.↗

NASA NTRS1958

Wind-tunnel investigation of the heat transfer to the X-15 airplane

Paper describes the wind tunnel test program which has provided a picture of the general distribution of heat transfer coefficients over the X-15 airplane. The tunnel tests have emphasized the importance of the interactions of the flow fields of components and have shown that in some cases, where the local flow direction and total pressure can be reasonably closely inferred, use of experimental pressures to compute flow conditions yields very good predictions of heat transfer rate. There are still some regions of the airplane for which the heat transfer could not be adequately studied because of the size or construction of the model. Such local regions will not necessarily limit the operation of the airplane but will require evaluation in the full-scale tests. (author)

Feller, William V↗

NASA NTRS1960

The Shock-Wave Patterns on a Cranked-Wing Configuration

The shock-wave patterns of a complex configuration with cranked cruciform wings and a cone-cylinder body were examined to determine the interaction of the body bow wave with the flow field about the wing. Also of interest, was the interaction of the forward (760 sweptback) wing leading-edge wave with the rear (600 sweptback) wing leading-edge wave. The shadowgraph pictures of the model in free flight at a Mach number of 4.9, although not definitive, appear to indicate that the body bow wave crosses the outer wing panel after first being refracted either by the leading-edge wave of the 600 sweptback wing or by pressure fields in the flow crossing the wing.

Sammonds, Robert I.↗