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At least 379 records · Page 21

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DOE OSTI2023

Inferring colloidal interaction from scattering by machine learning

A machine learning solution for the potential inversion problem in elastic scattering is outlined. The inversion scheme consists of two major components, a generative network featuring a variational autoencoder which extracts the targeted static two-point correlation functions from experimentally measured scattering cross sections, and a Gaussian process framework which probabilistically infers the relevant structural parameters from the inverted correlation functions. Via a case study of charged colloidal suspensions, the feasibility of this approach for quantitative study of molecular interaction is critically benchmarked and its merit over existing deterministic approaches, in terms of numerical accuracy and computationally efficiency, is demonstrated.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Heavy boron doping effects on biaxially tensile strained germanium (>1.5%) investigated via structural characterization, effective lifetime assessment and atomistic modeling

Highly tensile strained germanium (ε-Ge) represents an essential material system for emerging electronic and photonics applications. Moreover, adjusting the doping levels to moderate or high concentrations can effectively tailor the properties of ε-Ge for specific applications. This article combines experimental characterization with a theoretical framework to examine the effects of heavy elemental boron (B) doping on pseudomorphic sub-50 nm ε-Ge. High resolution X-ray diffractometry is used to validate tensile strain levels of 1.53% and 1.68% in Ge epilayers, surpassing the indirect-to-direct band gap crossover point at ∼1.5% biaxial tensile strain. Cross-sectional transmission electron microscopy revealed visual evidence of stacking faults and surface roughening in 1.68% ε-Ge, although a coherent and abrupt Ge/III–V heterointerface is observed, devoid of interfacial misfit dislocations. Effective lifetime measurements demonstrated approximately twofold enhancement in 1.53% B-doped ε-Ge (N B ∼7 × 10 19 cm −3 ) compared to its unstrained B-doped counterpart, while no such improvement was observed in 1.68% B-doped ε-Ge. This lack of enhancement is attributed to the presence of stacking faults and surface roughness within the ε-Ge epilayer. Through density functional theory calculations, we independently demonstrate that substitutional B atoms induce local deformation of Ge–Ge bonds in both unstrained Ge and ε-Ge epilayers, resulting in an additive tensile strain. This phenomenon could potentially lead to dynamic reduction and overcoming of the critical layer thickness for the system, facilitating the nucleation and subsequent glide of 90° leading Shockley partial dislocations, thereby generating stacking faults. In essence, these findings establish an upper limit on the B-doping concentration that can be achieved in highly ε-Ge epilayers, and collectively, offer valuable insights into the significance of heavy doping in Ge-based heterostructures. As such, this study delineates a fundamental constraint for integrating heavily doped ε-Ge in high-performance optoelectronic systems, necessitating precise strain-doping co-optimization to avoid performance degradation.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2024

Shock equation of state experiments in MgO up to 1.5 TPa and the effects of optical depth on temperature determination

Laser-driven shock compression enables an experimental study of phase transitions at unprecedented pressures and temperatures. One example is the shock Hugoniot of magnesium oxide (MgO), which crosses the B1–B2-liquid triple point at 400–600 GPa, 10 000–13 000 K (0.86–1.12 eV). MgO is a major component within the mantles of terrestrial planets and has long been a focus of high-pressure research. Here, we combine time-resolved velocimetry and pyrometry measurements with a decaying shock platform to obtain pressure–temperature data on MgO from 300 to 1500 GPa and 9000 to 50 000 K. Pressure–temperature–density Hugoniot data are reported at 1500 GPa. These data represent the near-instantaneous response of an MgO [100] single crystal to shock compression. We report on a prominent temperature anomaly between 400 and 460 GPa, in general agreement with previous shock studies, and draw comparison with equation-of-state models. We provide a detailed analysis of the decaying shock compression platform, including a treatment of a pressure-dependent optical depth near the shock front. We show that if the optical depth of the shocked material is larger than 1 μm, treating the shock front as an optically thick gray body will lead to a noticeable overestimation of the shock temperature.

36 MATERIALS SCIENCE↗

DOE OSTI2025

Spin-lattice entanglement in CoPS 3

Complex chalcogenides in the 𝑀⁢PS 3 family of materials (𝑀 =Mn, Fe, Co, and Ni) display remarkably different phase progressions depending upon the metal center orbital filling, character of the P–P linkage, and size of the van der Waals gap. There is also a stacking pattern and spin-state difference between the “lighter” and “heavier” transition-metal-containing systems that places CoPS 3 at the nexus of these activities. Despite these unique properties, this compound is underexplored. Here, we bring together Raman scattering spectroscopy and infrared absorption spectroscopy with x-ray techniques to identify a structural component to the 119 K magnetic ordering transition. With temperature-dependent Raman scattering, we discover a set of magnon-phonon pairs that engages in avoided crossings below 𝑇 Néel . Lastly, these findings point to strong spin-phonon entanglement as well as opportunities to control these effects under external stimuli.

Magnetism↗

DOE OSTI2025

Dirac Magnon in Honeycomb Lattice Magnet NiTiO 3

We performed inelastic neutron scattering experiments on single-crystal samples of the honeycomb lattice magnet, ilmenite NiTiO 3 . Below the Néel temperature of 22 K, spin wave excitations with a band energy of 3.7 meV were observed. Further, the neutron energy spectra were well-reproduced by modeling the system as a ferromagnetic honeycomb lattice with antiferromagnetic interlayer coupling, using linear spin wave theory. Similar to another ilmenite CoTiO 3 , a crossing structure was observed at the K point, suggesting the presence of Dirac magnons in NiTiO 3 . Further calculations suggested the formation of Dirac nodal line.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

NASA NTRS1982

Acoustic modal analysis of a full-scale annular combustor

An acoustic modal decomposition of the measured pressure field in a full scale annular combustor installed in a ducted test rig is described. The modal analysis, utilizing a least squares optimization routine, is facilitated by the assumption of randomly occurring pressure disturbances which generate equal amplitude clockwise and counter-clockwise pressure waves, and the assumption of statistical independence between modes. These assumptions are fully justified by the measured cross spectral phases between the various measurement points. The resultant modal decomposition indicates that higher order modes compose the dominant portion of the combustor pressure spectrum in the range of frequencies of interest in core noise studies. A second major finding is that, over the frequency range of interest, each individual mode which is present exists in virtual isolation over significant portions of the spectrum. Finally, a comparison between the present results and a limited amount of data obtained in an operating turbofan engine with the same combustor is made. The comparison is sufficiently favorable to warrant the conclusion that the structure of the combustor pressure field is preserved between the component facility and the engine.

Karchmer, A. M.↗

NASA NTRS1983

Acoustic modal analysis of a full-scale annular combustor

Karchmer, A. M.↗

NASA NTRS1987

Matching of dissimilar radar images using Marr-Hildreth zero crossings

Two alternatives to the classical method for finding corresponding points in opposite-side synthetic aperture radar imagery are presented. These new methods focus on matching the shapes of large-scale features in the images rather than on correlating high-frequency pixel gray values. One of the methods may be of use in matching radar images to optical images. The large-scale features are extracted using the Marr-Hildreth operator.

Mcconnell, Ross M.↗

NASA NTRS1988

Theory of anisotropic refractive scintillation - Application to stellar occultations by Neptune

A theory of refractive scintillation due to a thin phase-changing screen with an anisotropic power-law spectrum of phase fluctuations is presented. Scintillation theory for an isotropic medium is discussed, and anisotropy of the mean density and anisotropy in the scattering are discussed. The theory of refractive scintillation in an anisotropic medium is developed, deriving a general expression for the cross-correlation of flux variations at two points on the 'observer screen'. From this, estimates of the coherence lengths and amplitudes of flux variations are obtained for important parameter regimes. The application of the theory to the analysis of two occultations by Neptune is addressed. The projected dimensions of the occulting stars, a normalization constant to describe the phase fluctuations, and an anisotropy parameter are determined, and the theory is shown to agree well with observation. The significance of the theory for understanding of the physics of Neptune's atmosphere is discussed.

Narayan, Ramesh↗

NASA NTRS1987

Properties of a half-delta wing vortex

The mean flow and turbulence structure of a single longitudinal vortex generated by a half-delta wing placed at a small angle of attack were investigated. Particular consideration was given to the near-field properties of the generator in order to establish the role of the generator wake in the initial rolling-up of the vortex, as well as to the far-field properties so that the approach to equilibrium could be studied. Measurements were made on fine cross-plane grids at seven streamwise locations using hot cross wires. The results show that the point of maximum vorticity and the generator wake do not merge until a streamwise distance equivalent to three generator heights is reached. Comparison with previous data on vortices produced by double-branched generators confirmed that the present vortex had achieved a fully developed state, and at a relatively short streamwise distance.

Mehta, Rabindra D.↗

NASA NTRS1991

Modeling and simulations of the DSS 13 antenna control system

A model of the antenna control system for the azimuth and elevation axes of the Deep Space Station (DSS) 13 antenna is developed. This model is used for simulation of elevation and azimuth dynamics, cross-coupled dynamics, and radio-frequency pointing error due to both input commands and wind disturbances. This model also serves as a tool for the antenna controller design. A modal state-space model of the antenna structure was obtained from its finite-element model with a free-rotating tipping structure and alidade. Model reduction techniques applied separately for the antenna structure, elevation, and azimuth drives, and rate-loop model reduce the system order to one-third of that of the original, while preserving its significant dynamic properties. Extensive simulation results illustrate properties of the model.

Gawronski, W.↗

NASA NTRS1993

Electronic excitation of ground state atoms by collision with heavy gas particles

Most of the important chemical reactions which occur in the very high temperature air produced around space vehicles as they enter the atmosphere were investigated both experimentally and theoretically, to some extent at least. One remaining reaction about which little is known, and which could be quite important at the extremely high temperatures that will be produced by the class of space vehicles now contemplated - such as the AOTV - is the excitation of bound electron states due to collisions between heavy gas particles. Rates of electronic excitation due to free electron collisions are known to be very rapid, but because these collisions quickly equilibrate the free and bound electron energy, the approach to full equilibrium with the heavy particle kinetic energy will depend primarily on the much slower process of bound electron excitation in heavy particle collisions and the subsequent rapid transfer to free electron energy. This may be the dominant mechanism leading to full equilibrium in the gas once the dissociation process has depleted the molecular states so the transfer between molecular vibrational energy and free electron energy is no longer available as a channel for equilibration of free electron and heavy particle kinetic energies. Two mechanisms seem probable in electronic excitation by heavy particle impact. One of these is the collision excitation and deexcitation of higher electronic states which are Rydberg like. A report, entitled 'Semi-Classical Theory of Electronic Excitation Rates', was submitted previously. This presented analytic expressions for the transition probabilities, assuming that the interaction potential is an exponential repulsion with a perturbation ripple due to the dipole-induced dipole effect in the case of neutral-neutral collisions, and to the ion-dipole interaction in the case of ion-neutral collisions. However the above may be, there is little doubt that excitation of ground state species by collision occurs at the point where the initial and final potentials cross, or at least come very close. Therefore, this mechanism would be applicable to the case where a gas is initially at very low temperature suddenly subjected to high energy heavy particle bombardment. This situation would model the measurement of excitation cross section by molecular beam techniques, for example. The purpose is to report values of cross sections and rate coefficients for collision excitation of ground state atoms estimated with the Landau-Zener transition theory and to compare results with measurement of excitation cross sections for a beam of Hydrogen atoms impacting Argon atom targets. Some very dubious approximations are used, and the comparison with measurement is found less than ideal, but results are at least consistent within order of magnitude. The same model is then applied to the case of N-N atom collisions, even though the approximations then become even more doubtful. Still the rate coefficients obtained are at least plausible in both magnitude and functional form, and as far as I am aware these are the only estimates available for such rate coefficients.

Hansen, C. Frederick↗

NASA NTRS1995

A predictor-corrector technique for visualizing unsteady flow

We present a method for visualizing unsteady flow by displaying its vortices. The vortices are identified by using a vorticity-predictor pressure-corrector scheme that follows vortex cores. The cross-sections of a vortex at each point along the core can be represented by a Fourier series. A vortex can be faithfully reconstructed from the series as a simple quadrilateral mesh, or its reconstruction can be enhanced to indicate helical motion. The mesh can reduce the representation of the flow features by a factor of one thousand or more compared with the volumetric dataset. With this amount of reduction it is possible to implement an interactive system on a graphics workstation to permit a viewer to examine, in three dimensions, the evolution of the vortical structures in a complex, unsteady flow.

Banks, David C.↗

NASA NTRS2000

Latitudinal Density Dependence of Magnetic Field Lines Inferred from Polar Plasma Wave Data

Using observations of the electron density, n(sub e), based on measurement of the upper hybrid resonance frequency by the Polar spacecraft Plasma Wave Instrument, we have examined the radial density dependence along field lines in the outer plasmasphere and the near plasmatrough. Sampled L values range from 2.5 to 6.6. Our technique depends on the fact that Polar crosses particular L values at two different points with different radial distance R. In our plasmaspheric data set (n(sub e) > 100/cm3), we find that on average n(sub e) is flat along field lines from the equator up to the latitudes sampled by Polar (R approximately equal to or > 2.0). In the plasmatrough data set (n(sub e) < 100/cm-3), there is on average a mild radial dependence n(sub e) varies as R(exp -1.7).

Goldstein, J.↗

NASA NTRS2002

Evaluation of Impinging Stream Vortex Chamber Concepts for Liquid Rocket Engine Applications

To pursue technology developments for future launch vehicles, NASA/Marshall Space Flight Center (MSFC) is examining vortex chamber concepts for liquid rocket engine applications. Past studies indicated that the vortex chamber schemes potentially have a number of advantages over conventional chamber methods. Due to the nature of the vortex flow, relatively cooler propellant streams tend to flow along the chamber wall. Hence, the thruster chamber can be operated without the need of any cooling techniques. This vortex flow also creates strong turbulence, which promotes the propellant mixing process. Consequently, the subject chamber concepts not only offer system simplicity, but also enhance the combustion performance. Test results have shown that chamber performance is markedly high even at a low chamber length-to-diameter ratio (LD). This incentive can be translated to a convenience in the thrust chamber packaging. Variations of the vortex chamber concepts have been introduced in the past few decades. These investigations include an ongoing work at Orbital Technologies Corporation (ORBITEC). By injecting the oxidizer tangentially at the chamber convergence and fuel axially at the chamber head end, Knuth et al. were able to keep the wall relatively cold. A recent investigation of the low L/D vortex chamber concept for gel propellants was conducted by Michaels. He used both triplet (two oxidizer orifices and one fuel orifice) and unlike impinging schemes to inject propellants tangentially along the chamber wall. Michaels called the subject injection scheme an Impinging Stream Vortex Chamber (ISVC). His preliminary tests showed that high performance, with an Isp efficiency of 9295, can be obtained. MSFC and the U. S. Army are jointly investigating an application of the ISVC concept for the cryogenic oxygen/hydrocarbon propellant system. This vortex chamber concept is currently tested with gel propellants at AMCOM at Redstone Arsenal, Alabama. A version of this concept for the liquid oxygen (LOX) hydrocarbon fuel (RP-1) system has been derived from the one for the gel propellant. An unlike impinging injector was employed to deliver the propellants to the chamber. MSFC is also conducting an alternative injection scheme, called the chasing injector, associated with this vortex chamber concept. In this injection technique, both propellant jets and their impingement point are in the same chamber cross-sectional plane. Long duration tests (approximately up to 15 seconds) will be conducted on the ISVC to study the thermal effects. This paper will report the progress of the subject efforts at NASA Marshall Space Flight Center. Thrust chamber performance and thermal wall compatibility will be evaluated. The chamber pressures, wall temperatures, and thrust will be measured as appropriate. The test data will be used to validate CFD models, which, in turn, will be used to design the optimum vortex chambers. Measurements in the previous tests showed that the chamber pressures vary significantly with radius. This is due to the existence of the vortices in the chamber flow field. Hence, the combustion efficiency may not be easily determined from chamber pressure. For this project, measured thrust data will be collected. The performance comparison will be in terms of specific impulse efficiencies. In addition to the thrust measurements, several pressure and temperature readings at various locations on the chamber head faceplate and the chamber wall will be made. The first injector and chamber were designed and fabricated based on the available data and experience gained during gel propellant system tests by the U.S. Army. The alternate injector for the ISVC was also fabricated. Hot-fire tests of the vortex chamber are about to start and are expected to complete in February of 2003 at the TS115 facility of MSFC.

Trinh, Huu P.↗

NASA NTRS2003

Evaluation of Impinging Stream Vortex Chamber Concepts for Liquid Rocket Engine Applications

NASA Marshall Space Flight Center (MSFC) and the U. S. Army are jointly investigating vortex chamber concepts for cryogenic oxygen/hydrocarbon fuel rocket engine applications. One concept, the Impinging Stream Vortex Chamber Concept (ISVC), has been tested with gel propellants at AMCOM at Redstone Arsenal, Alabama. A version of this concept for the liquid oxygen (LOX)/hydrocarbon fuel (RP-1) propellant system is derived from the one for the gel propellant. An unlike impinging injector is employed to deliver the propellants to the chamber. MSFC has also designed two alternative injection schemes, called the chasing injectors, associated with this vortex chamber concept. In these injection techniques, both propellant jets and their impingement point are in the same chamber cross-sectional plane. One injector has a similar orifice size with the original unlike impinging injector. The second chasing injector has small injection orifices. The team has achieved their objectives of demonstrating the self-cooled chamber wall benefits of ISVC and of providing the test data for validating computational fluids dynamics (CFD) models. These models, in turn, will be used to design the optimum vortex chambers in the future.

Trinh, Huu↗

NASA NTRS1996

The calculation of radial dose from heavy ions: predictions of biological action cross sections

The track structure model of heavy ion cross sections was developed by Katz and co-workers in the 1960s. In this model the action cross section is evaluated by mapping the dose-response of a detector to gamma rays (modeled from biological target theory) onto the radial dose distribution from delta rays about the path of the ion. This is taken to yield the radial distribution of probability for a "hit" (an interaction leading to an observable end-point). Radial integration of the probability yields the cross section. When different response from ions of different Z having the same stopping power is observed this model may be indicated. Since the 1960s there have been several developments in the computation of the radial dose distribution, in the measurement of these distributions, and in new radiobiological data against which to test the model. The earliest model, by Butts and Katz made use of simplified delta ray distribution functions, of simplified electron range-energy relations, and neglected angular distributions. Nevertheless it made possible the calculation of cross sections for the inactivation of enzymes and viruses, and allowed extension to tracks in nuclear emulsions and other detectors and to biological cells. It set the pattern for models of observable effects in the matter through which the ion passed. Here we outline subsequent calculations of radial dose which make use of improved knowledge of the electron emission spectrum, the electron range-energy relation, the angular distribution, and some considerations of molecular excitation, of particular interest both close to the path of the ion and the outer limits of electron penetration. These are applied to the modeling of action cross sections for the inactivation of several strains of E-coli and B. subtilis spores where extensive measurements in the "thin-down" region have been made with heavy ion beams. Such calculations serve to test the radial dose calculations at the outer limit of electron penetration. We lack data from which to test these calculations in regions close to the path of the ion aside from our earliest work on latent tracks in plastics, though it appears that the criterion then suggested for the threshold of track formation, of a minimal dose at a minimal distance (of about 20 angstroms, in plastics), remains valid.

NASA Discipline Radiation Health↗

NASA NTRS2005

Atomic Processes in X-ray Photoioinzed Gas

It has long been known that photoionization and photoabsorption play a dominant role in determining the state of gas in nebulae surrounding hot stars and in active galaxies. Recent observations of X-ray spectra demonstrate that these processes are also dominant in highly ionized gas near compact objects, and also affect the transmission of X-rays from the majority of astronomical sources. This has led to new insights into the understanding of what is going on in these sources. It has also pointed out the need for accurate atomic cross sections for photoionization and absorption, notably for processes involving inner shells. The xstar code can be used for calculating the heating, ionization and reprocessing of X-rays by gas in a range of ionization states and temperatures. It has recently been updated to include an improved treatment of inner shell transitions in iron. I will review the capabilities of xstar, the atomic data, and illustrate some applications to recent X-ray spectral observations.

Kallman, Timothy↗