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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 145 records · Page 8

Gravitational Influences on the Growth of Polydiacetylene Films by Ultraviolet Solution Polymerization

Technically, the field of integrated optics using organic/polymer materials as a new means of information processing, has emerged as of vital importance to optical computers, optical switching, optical communications, the defense industry, etc. The goal is to replace conventional electronic integrated circuits and wires by equivalent miniaturized optical integrated circuits and fibers, offering larger bandwidths, more compactness and reliability, immunity to electromagnetic interference and less cost. From the Code E perspective, this research area represents an opportunity to marry "front-line" education in science and technology with national scientific and technological interests while maximizing human resources utilization. This can be achieved by the development of untapped resources for scientific research - such as minorities, women, and universities traditionally uninvolved in scientific research.

Frazier, Donald O.↗

GronOR: Massively Parallel and GPU-Accelerated Non-Orthogonal Configuration Interaction for Large Molecular Systems

GronOR is a program package for non-orthogonal configuration interaction calculations for an electronic wave function built in terms of anti-symmetrized products of multi-configuration molecular fragment wave functions. The two-electron integrals that have to be processed may be expressed in terms of atomic orbitals or in terms of an orbital basis determined from the molecular orbitals of the fragments. The code has been specifically designed for execution on distributed memory massively parallel and Graphics Processing Unit (GPU)-accelerated computer architectures, using an MPI+OpenACC/OpenMP programming approach. The task-based execution model used in the implementation allows for linear scaling with the number of nodes on the largest pre-exascale architectures available, provides hardware fault resiliency, and enables effective execution on systems with distinct central processing unit-only and GPU-accelerated partitions. The code interfaces with existing multi-configuration electronic structure codes that provide optimized molecular fragment orbitals, configuration interaction coefficients, and the required integrals. Algorithm and implementation details, parallel and accelerated performance benchmarks, and an analysis of the sensitivity of the accuracy of results and computational performance to thresholds used in the calculations are presented.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Improved Boundary Conditions for Coupled Geospace Models: An Application in Modeling Spacecraft Surface Charging Environment

Abstract Spacecraft surface charging in the inner magnetosphere often occurs in the pre‐midnight to the dawn sector when electron fluxes of tens of keV increase. Inner magnetosphere ring current models can be used to simulate/predict the spacecraft surface charging environment, with their outer boundary conditions specified either based on observations or provided by other models, such as MHD models. In the latter approach, using MHD quantities, the flux spectrum at the outer boundary is commonly assumed to follow a Kappa or Maxwellian distribution function. Such a method however often departs greatly from the realistic spectrum at E < tens of keV, a crucial energy range in the surface charging anomaly. In order to achieve a better representation of the surface charging environment, we propose to combine the MHD‐parameterized flux spectrum with an empirical electron flux model of E < 40 keV to set the electron flux boundary condition. Results indicate that as opposed to the case where the MHD‐parameterized flux distribution is solely used at the model boundary, simulations with the new boundary condition yields a more intense surface charging environment. The integrated electron flux between 10 < E < 50 keV, a measure of the severity of the surface charging environment, is significantly enhanced by 1‐2 orders of magnitude, leading to a much better agreement with Van Allen Probes measurements. This study hence demonstrates a reasonable solution to the setting of outer boundary conditions for inner magnetosphere models and is recommended for coupled geospace circulation models.

79 ASTRONOMY AND ASTROPHYSICS↗

STRAP 4 sounding rocket attitude control system

A sounding rocket attitude control system is reported that uses rate integrated gyros operating in both closed loop and open loop modes at very low drift rates. In normal operation the gyros are zeroed on a nearby star and torqued to the proper location in the closed loop mode; rate output is electronically integrated to provide a position displacement signal. Once closed loop torquing is completed, the caging loop is opened and the gyro is operated as angular displacement sensor to provide limit cycle control while viewing the target.

Shrewsberry, D. J.↗

Theoretical treatment of the spin-orbit coupling in the rare gas oxides NeO, ArO, KrO, and XeO

Off-diagonal spin-orbit matrix elements are calculated as a function of internuclear distance for the rare gas oxides NeO, ArO, KrO, and XeO using the full microscopic spin-orbit Hamiltonian, including all one- and two-electron integrals, and POL-CI wave functions comparable to those of Dunning and Hay (1977). A good agreement was found when comparing these results in detail with the calculations of Cohen, Wadt and Hay (1979) that utilize an effective one-electron one-center spin-orbit operator. For the rare gas oxide molecules, it is suggested that the numerical results are a more sensitive test of the wave functions (particularly to the extent of charge transfer) than the exact evaluation of all terms in the full spin-orbit operator.

Langhoff, S. R.↗

Comparison of Echo 7 field line length measurements to magnetospheric model predictions

The Echo 7 sounding rocket experiment injected electron beams on central tail field lines near L = 6.5. Numerous injections returned to the payload as 'conjugate echoes' after mirroring in the southern hemisphere. Field line lengths calculated from measured conjugate echo bounce times and energies are compared to predictions made by integrating electron trajectories through various magnetospheric models. Although Kp at launch was 3-, quiet time magnetic models best fit the echo measurements. Geosynchronous satellite magnetometer measurements near the Echo 7 field lines during the flight were best modeled by the Olson-Pfitzer Dynamic Model and the Tsyganenko-Usmanov model for Kp = 3. The discrepancy between the models that best fit the Echo 7 data and those that fit the satellite data was most likely due to uncertainties in the small-scale configuration of the magnetospheric models. The field line length measured by the conjugate echoes showed some temporal variation in the magnetic field, also indicated by the satellite magnetometers. This demonstrates the utility an Echo-style experiment could have in substorm studies.

Nemzek, R. J.↗

Theoretical investigation of gas-surface interactions

The investigation into the appearance of intruder states from the negative continuum when some of the two-electron integrals were omitted was completed. The work shows that, provided all integrals involving core contracted functions in an atomic general contraction are included, or that the core functions are radially localized, meaningful results are obtained and intruder states do not appear. In the area of program development, the Dirac-Hartree-Fock (DHF) program for closed-shell polyatomic molecules was extended to permit Kramers-restricted open-shell DHF calculations with one electron in an open shell or one hole in a closed shell, or state-averaged DHF calculations over several particle or hole doublet states. One application of the open-shell code was to the KO molecule. Another major area of program development is the transformation of integrals from the scalar basis in which they are generated to the 2-spinor basis employed in parts of the DHF program, and hence to supermatrix form. Particularly concerning the omission of small component integrals, and with increase in availability of disk space, it is now possible to consider transforming the integrals. The use of ordered integrals, either in the scalar basis or in the 2-spinor basis, would considerably speed up the construction of the Fock matrix, and even more so if supermatrices were constructed. A considerable amount of effort was spent on analyzing the integral ordering and tranformation for the DHF program. The work of assessing the reliability of the relativistic effective core potentials (RECPs) was continued with calculation of the group IV monoxides. The perturbation of the metal atom provided by oxygen is expected to be larger than that provided by hydrogen and thus provide a better test of the qualification of the RECPs. Calculations on some platinum hydrides were carried out at nonrelativistic (NR), perturbation theory (PT) and DHF levels. Reprints of four papers describing this work are included.

Dyall, Kenneth G.↗

Automated Hardware Design via Evolutionary Search

The goal of this research is to investigate the application of evolutionary search to the process of automated engineering design. Evolutionary search techniques involve the simulation of Darwinian mechanisms by computer algorithms. In recent years, such techniques have attracted much attention because they are able to tackle a wide variety of difficult problems and frequently produce acceptable solutions. The results obtained are usually functional, often surprising, and typically "messy" because the algorithms are told to concentrate on the overriding objective and not elegance or simplicity. advantages. First, faster design cycles translate into time and, hence, cost savings. Second, automated design techniques can be made to scale well and hence better deal with increasing amounts of design complexity. Third, design quality can increase because design properties can be specified a priori. For example, size and weight specifications of a device, smaller and lighter than the best known design, might be optimized by the automated design technique. The domain of electronic circuit design is an advantageous platform in which to study automated design techniques because it is a rich design space that is well understood, permitting human-created designs to be compared to machine- generated designs. developed for circuit design was to automatically produce high-level integrated electronic circuit designs whose properties permit physical implementation in silicon. This process entailed designing an effective evolutionary algorithm and solving a difficult multiobjective optimization problem. FY 99 saw many accomplishments in this effort.

Lohn, Jason D.↗

On the Relationship Between High Speed Solar Wind Streams and Radiation Belt Electron Fluxes

Both past and recent research results indicate that solar wind speed has a close connection to radiation belt electron fluxes [e.g., Paulikas and Blake, 1979; Reeves et aI., 2011]: a higher solar wind speed is often associated with a higher level of radiation electron fluxes. But the relationship can be very complex [Reeves et aI., 2011]. The study presented here provides further corroboration of this viewpoint by emphasizing the importance of a global perspective and time history. We find that all the events during years 2010 and 2011 where the >0.8 MeV integral electron flux exceeds 10(exp 5) particles/sq cm/sr/s (pfu) at GEO orbit are associated with the high speed streams (HSS) following the onset of the Stream Interaction Region (SIR), with most of them belonging to the long-lasting Corotating Interaction Region (CIR). Our preliminary results indicate that during HSS events, a maximum speed of 700 km/s and above is a sufficient but not necessary condition for the > 0.8 MeV electron flux to reach 10(exp 5) pfu. But in the exception cases of HSS events where the electron flux level exceeds the 10(exp 5) pfu value but the maximum solar wind speed is less than 700 km/s, a prior impact can be noted either from a CME or a transient SIR within 3-4 days before the arrival of the HSS - stressing the importance of time history. Through superposed epoch analysis and studies providing comparisons with the CME events and the HSS events where the flux level fails to reach the 10(exp 5) pfu, we will present the quantitative assessment of behaviors and relationships of various quantities, such as the time it takes to reach the flux threshold value from the stream interface and its dependence on different physical parameters (e.g., duration of the HSS event, its maximum or average of the solar wind speed, IMF Bz, Kp). The ultimate goal is to apply what is derived to space weather forecasting.

Zheng, Yihua↗

Modeling the effects of an H2 gas release on the equatorial ionosphere

Three simulated point releases of H2 gas are carried out at 1930 LT over the magnetic equator: 5 kg at 300 km, 10 kg at 350 km, and 20 kg at 300 km. The subsequent effects on the ionosphere in the vicinity of these releases are studied by calculating the densities of O(+), OH(+), H2O(+), and H3O(+) from coupled time-dependent ion continuity equations. It is found that the 5-kg release produces a depleted electron density region, while a 10-kg release produces an electron density hole. Increasing the release to 20 kg yields substantial amounts of the product ions OH(+), H2O(+), and H3O(+). The dominant ions at the times of 52, 276, and 1252 sec after release are 55% for H3O(+), 47.6% for OH(+), and 72.7% for O(+), respectively. Moreover, 276 sec after release, percent depletions in the integrated electron density and Pederson conductivity are 5.8% and 2.9%, respectively, for the 5-kg release; 7.4% and 5.2%, respectively, for the 10-kg release; and 11.8% and 4.3%, respectively, for the 20-kg release. Whether or not such initial depletions are sufficient remains to be seen.

Anderson, D. N.↗

Experimental Results for an Inverter Integrated with A High-Speed Surface Permanent Magnet External Rotor Motor

This work presents the prototyping and testing of a high-speed outer rotor surface permanent magnet motor. The motor employs non-heavy rare-earth permanent magnets and operates at a rated speed of 6,666 rpm. In-slot ceramic heat exchangers are used to cool the windings. The external rotor configuration provides substantial space within the stator bore, which is used for power electronics integration. This integration introduces several design and thermal management challenges that are discussed in the paper. The machine has been prototyped and tested under various operating conditions, and both simulation and experimental results are presented.

Rallabandi, Vandana [ORNL] (ORCID:0000000236241901↗

Radio range measurements of coronal electron densities at 13 and 3.6 centimeter wavelengths during the 1988 solar conjunction of Voyager 2

Radio range measurements of total solar plasma delay obtained during the solar conjunction of the Voyager 2 spacecraft in December 1988, which occurred near solar maximum activity in the 11 yr cycle are reported. The radio range measurements were generated by the Deep Space Network at two wavelengths on the downlink from the spacecraft: 3.6 and 13 cm. A direct measurement of the integrated electron density along the ray path between the earth stations and the spacecraft was obtained by differencing the range at the two wavelengths. Coronal electron density profiles have been derived during ingress and egress of the ray path, which approached the sun to within 5 solar radii. At 10 solar radii, the derived density profiles yield 34079 + or - 611/cu cm on ingress and 49688 + or - 983/cu cm on egress. These density levels are significantly higher than observed near previous solar maxima.

Krisher, T. P.↗

Quantitative Measurements of Electronically Excited CH Concentration in Normal Gravity and Microgravity Coflow Laminar Diffusion Flames

With the conclusion of the SLICE campaign aboard the ISS in 2012, a large amount of data was made available for the analysis of the effect of microgravity on laminar coflow diffusion flames. Previous work focused on the study of sooty flames in microgravity as well as the ability of numerical models to predict its formation in a simplified buoyancy-free environment. The current work shifts the investigation to soot-free flames, putting an emphasis on the chemiluminescence emission from electronically excited CH (CH*). This radical species is of significant interest in combustion studies: it has been shown that the electronically excited CH spatial distribution is indicative of the flame front position and, given the relatively simple diagnostic involved with its measurement, several works have been done trying to understand the ability of electronically excited CH chemiluminescence to predict the total and local flame heat release rate. In this work, a subset of the SLICE nitrogen-diluted methane flames has been considered, and the effect of fuel and coflow velocity on electronically excited CH concentration is discussed and compared with both normal gravity results and numerical simulations. Experimentally, the spectral characterization of the DSLR color camera used to acquire the flame images allowed the signal collected by the blue channel to be considered representative of the electronically excited CH emission centered around 431 nm. Due to the axisymmetric flame structure, an Abel deconvolution of the line-of-sight chemiluminescence was used to obtain the radial intensity profile and, thanks to an absolute light intensity calibration, a quantification of the electronically excited CH concentration was possible. Results show that, in microgravity, the maximum flame electronically excited CH concentration increases with the coflow velocity, but it is weakly dependent on the fuel velocity; normal gravity flames, if not lifted, tend to follow the same trend, albeit with different peak concentrations. Comparisons with numerical simulations display reasonably good agreement between measured and computed flame lengths and radii, and it is shown that the integrated electronically excited CH emission scales proportionally to the computed total heat release rate; the two-dimensional electronically excited CH spatial distribution, however, does not appear to be a good marker for the local heat release rate.

chemiluminescence↗

Three-dimensional high-content imaging of unstained soft tissue with subcellular resolution using a laboratory-based X-ray microscope

With increasing interest in studying biological systems across spatial scales—from centimeters down to nanometers—histology continues to be the gold standard for tissue imaging at cellular resolution, providing an essential bridge between macroscopic and nanoscopic analysis. However, its inherently destructive and two-dimensional nature limits its ability to capture the full three-dimensional complexity of tissue architecture. Here, we show that phase-contrast X-ray microscopy can enable three-dimensional virtual histology with subcellular resolution. This technique provides direct quantification of electron density without restrictive assumptions, allowing for direct characterization of cellular nuclei in a standard laboratory setting. By combining high spatial resolution and soft tissue contrast, with automated segmentation of cell nuclei, we demonstrated virtual Hematoxylin and Eosin (H&E) staining using machine learning-based style transfer, yielding volumetric datasets compatible with existing histopathological analysis tools. Furthermore, by integrating electron density and the sensitivity to nanometric features of the dark field contrast channel, we achieve stain-free, high-content imaging capable of distinguishing nuclei and extracellular matrix.

3D virtual histology↗

Nanoelectronics: Opportunities for future space applications

Further improvements in the performance of integrated electronics will eventually halt due to practical fundamental limits on our ability to downsize transistors and interconnect wiring. Avoiding these limits requires a revolutionary approach to switching device technology and computing architecture. Nanoelectronics, the technology of exploiting physics on the nanometer scale for computation and communication, attempts to avoid conventional limits by developing new approaches to switching, circuitry, and system integration. This presentation overviews the basic principles that operate on the nanometer scale that can be assembled into practical devices and circuits. Quantum resonant tunneling (RT) is used as the center-piece of the overview since RT devices already operate at high temperature (120 degrees C) and can be scaled, in principle, to a few nanometers in semiconductors. Near- and long-term applications of GaAs and silicon quantum devices are suggested for signal and information processing, memory, optoelectronics, and radio frequency (RF) communication.

Frazier, Gary↗

Electron scattering by highly polar molecules. I - KI

Electron-impact energy-loss spectra of KI were studied experimentally in the 15- to 130-deg angular range at impact energies of 6.7, 15.7, and 60 eV. The spectra reveal a number of excitation features which have not been detected previously and indicate that KI is a strong photon absorber in the vacuum-UV region. From the spectra, differential and integral electronically elastic and inelastic cross sections have been obtained by normalizing the experimental data to theoretical results at low scattering angles. Rotational excitation cross sections corresponding to delta j = 0, plus or minus 1, have been calculated using a dipole-plus-repulsive-core interaction potential and the distorted-wave approximation. For comparison, the rotational excitation cross sections have also been calculated in the Born point-dipole approximation.

Rudge, M. R. H.↗

Electronic Design Automation: Integrating the Design and Manufacturing Functions

As the complexity of electronic systems grows, the traditional design practice, a sequential process, is replaced by concurrent design methodologies. A major advantage of concurrent design is that the feedback from software and manufacturing engineers can be easily incorporated into the design. The implementation of concurrent engineering methodologies is greatly facilitated by employing the latest Electronic Design Automation (EDA) tools. These tools offer integrated simulation of the electrical, mechanical, and manufacturing functions and support virtual prototyping, rapid prototyping, and hardware-software co-design. This report presents recommendations for enhancing the electronic design and manufacturing capabilities and procedures at JSC based on a concurrent design methodology that employs EDA tools.

Bachnak, Rafic↗