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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 433 records · Page 24
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Distinguishing electronic contributions of surface and sub-surface transition metal atoms in Ti-based MXenes

MXenes are a rapidly-expanding family of 2D transition metal carbides and nitrides that have attracted attention due to their excellent performance in applications ranging from energy storage to electromagnetic interference shielding. Numerous other electronic and magnetic properties have been computationally predicted, but not yet realized due to the experimental difficulty in obtaining uniform surface terminations (T x ), necessitating new design approaches for MXenes that are independent of surface groups. In this study, we distinguished the contributions of surface and sub-surface Ti atoms to the electronic structure of four Ti-based MXenes (Ti 2 CT x , Ti 3 C 2 T x , Cr 2 TiC 2 T x , and Mo 2 TiC 2 T x ) using soft x-ray absorption spectroscopy, revealing minimal changes in the spectral features between the parent MAX phase and its MXene when no surface Ti atoms are present in the MXene, such as Mo 2 TiC 2 T x and Cr 2 TiC 2 T x . In contrast, for MXenes with surface Ti atoms, here Ti 3 C 2 T x and Ti 2 CT x , the Ti L-edge spectra are significantly modified compared to their parent MAX phase compounds. First principles calculations provide similar trends in the partial density of states derived from surface and interior Ti atoms, corroborating the spectroscopic measurements. Furthermore, these results reveal that electronic states derived from sub-surface M-site layers are largely unperturbed by the surface groups, indicating a relatively short length scale over which the T x groups alter the nominal electron count associated with Ti atoms and suggesting that desired band features should be hosted by sub-surface M-sites that are electronically more robust than their surface M-site counterparts.

36 MATERIALS SCIENCE↗
NASA NTRS1973

Recent advances in antenna synthesis.

A technique for the synthesis of planar aperture antennas has been developed. It applies equally well to continuous or array type apertures. Patterns with shaped main beams and complex sidelobe structures can be synthesized. The method involves applying corrections iteratively and converging toward the desired pattern. The iteration process terminates when the synthesized pattern approximates the desired pattern to within a specified tolerance. A computer program has been written to perform all calculations. The source distribution which is required to produce the synthesized pattern is provided as output. The method is such that patterns requiring complex source distributions will not be synthesized (such as superdirective patterns).

Stutzman, W. L.↗
NASA NTRS1973

General aviation air traffic pattern safety analysis

A concept is described for evaluating the general aviation mid-air collision hazard in uncontrolled terminal airspace. Three-dimensional traffic pattern measurements were conducted at uncontrolled and controlled airports. Computer programs for data reduction, storage retrieval and statistical analysis have been developed. Initial general aviation air traffic pattern characteristics are presented. These preliminary results indicate that patterns are highly divergent from the expected standard pattern, and that pattern procedures observed can affect the ability of pilots to see and avoid each other.

Parker, L. C.↗
NASA NTRS1976

TCV software test and validation tools and technique

The paper describes techniques for testing and validating software for the TCV (Terminal Configured Vehicle) program which is intended to solve problems associated with operating a commercial transport aircraft in the terminal area. The TCV research test bed is a Boeing 737 specially configured with digital computer systems to carry out automatic navigation, guidance, flight controls, and electronic displays research. The techniques developed for time and cost reduction include automatic documentation aids, an automatic software configuration, and an all software generation and validation system.

Straeter, T. A.↗
NASA NTRS1989

Multiplying Video Mixer

Video mixing circuit places transparent overlay image on all or portion of normal image on television screen. Overlay computer-generated graphics, text, or another image. Background video brightness signal fed into one input terminal of circuit, while overlay brightness signal fed into other input terminal. Amplitude of background brightness signal modulated by overlay brightness signal, resulting in video image in which background image appears as though viewed through overlay. Multiplying video mixer, combined with additional circuitry, places transparent or opaque overlay images on normal (background) video images.

Heckt, Neil W.↗
NASA NTRS1990

Scheduling periodic jobs that allow imprecise results

The problem of scheduling periodic jobs in hard real-time systems that support imprecise computations is discussed. Two workload models of imprecise computations are presented. These models differ from traditional models in that a task may be terminated any time after it has produced an acceptable result. Each task is logically decomposed into a mandatory part followed by an optional part. In a feasible schedule, the mandatory part of every task is completed before the deadline of the task. The optional part refines the result produced by the mandatory part to reduce the error in the result. Applications are classified as type N and type C, according to undesirable effects of errors. The two workload models characterize the two types of applications. The optional parts of the tasks in an N job need not ever be completed. The resulting quality of each type-N job is measured in terms of the average error in the results over several consecutive periods. A class of preemptive, priority-driven algorithms that leads to feasible schedules with small average error is described and evaluated.

Chung, Jen-Yao↗
NASA NTRS1991

STARS: An integrated general-purpose finite element structural, aeroelastic, and aeroservoelastic analysis computer program

The details of an integrated general-purpose finite element structural analysis computer program which is also capable of solving complex multidisciplinary problems is presented. Thus, the SOLIDS module of the program possesses an extensive finite element library suitable for modeling most practical problems and is capable of solving statics, vibration, buckling, and dynamic response problems of complex structures, including spinning ones. The aerodynamic module, AERO, enables computation of unsteady aerodynamic forces for both subsonic and supersonic flow for subsequent flutter and divergence analysis of the structure. The associated aeroservoelastic analysis module, ASE, effects aero-structural-control stability analysis yielding frequency responses as well as damping characteristics of the structure. The program is written in standard FORTRAN to run on a wide variety of computers. Extensive graphics, preprocessing, and postprocessing routines are also available pertaining to a number of terminals.

Gupta, Kajal K.↗
NASA NTRS1993

Optimizing the fine lock performance of the Hubble Space Telescope fine guidance sensors

This paper summarizes the on-orbit performance to date of the three Hubble Space Telescope Fine Guidance Sensors (FGS's) in Fine Lock mode, with respect to acquisition success rate, ability to maintain lock, and star brightness range. The process of optimizing Fine Lock performance, including the reasoning underlying the adjustment of uplink parameters, and the effects of optimization are described. The Fine Lock optimization process has combined theoretical and experimental approaches. Computer models of the FGS have improved understanding of the effects of uplink parameters and fine error averaging on the ability of the FGS to acquire stars and maintain lock. Empirical data have determined the variation of the interferometric error characteristics (so-called 's-curves') between FGS's and over each FGS field of view, identified binary stars, and quantified the systematic error in Coarse Track (the mode preceding Fine Lock). On the basis of these empirical data, the values of the uplink parameters can be selected more precisely. Since launch, optimization efforts have improved FGS Fine Lock performance, particularly acquisition, which now enjoys a nearly 100 percent success rate. More recent work has been directed towards improving FGS tolerance of two conditions that exceed its original design requirements. First, large amplitude spacecraft jitter is induced by solar panel vibrations following day/night transitions. This jitter is generally much greater than the FGS's were designed to track, and while the tracking ability of the FGS's has been shown to exceed design requirements, losses of Fine Lock after day/night transitions are frequent. Computer simulations have demonstrated a potential improvement in Fine Lock tracking of vehicle jitter near terminator crossings. Second, telescope spherical aberration degrades the interferometric error signal in Fine Lock, but use of the FGS two-thirds aperture stop restores the transfer function with a corresponding loss of throughput. This loss requires the minimum brightness of acquired stars to be about one magnitude brighter than originally planned.

Eaton, David J.↗
NASA NTRS2016

A Possible Explanation for the Z-R Parameter Inconsistency when Comparing Stratiform and Convective Rainfall

The well-known Z-R power law Z A R(sup b) uses two parameters, A and b, in order to relate rainfall rate R to measured weather radar reflectivity Z. A common method used by researchers is to compute Z and R from disdrometer data and then extract the A-b parameter pair from a log-linear line fit to a scatter plot of Z-R pairs. Even though it may seem far more truthful to extract the parameter pair from a fit of radar Z(sub R) versus gauge rainfall rate R(sub G), the extreme difference in spatial and temporal sampling volumes between radar and rain gauge creates a slew of problems that can generally only be solved by using rain gauge arrays and long sampling averages. Disdrometer derived A-b parameters are easily obtained and can provide information for the study of stratiform versus convective rainfall. However, an inconsistency appears when comparing averaged A-b pairs from various researchers. Values of b range from 1.26 to 1.51 for both stratiform and convective events. Paradoxically the values of A fall into three groups: 150 to 200 for convective; 200 to 400 for stratiform; and 400 to 500 again for convective. This apparent inconsistency can be explained by computing the A-b pair using the gamma DSD coupled with a modified drop terminal velocity model, v(D) alpha D(sup beta) - w, where w is a somewhat artificial constant vertical velocity of the air above the disdrometer. This model predicts three regions of A, corresponding to w less than 0, w = 0, and w greater than 0, which approximately matches observed data.

gamma DSD↗
NASA NTRS2015

The Effect of Surface Chemical Functionality Upon Ice Adhesion

In nature, anti-freeze proteins present in fish utilize specific organic functionalities to disrupt ice crystal formation and propagation. Based on these structures, surfaces with controlled chemical functionality and chain length were evaluated both experimentally and computationally to assess the effect of both parameters in mitigating ice formation. Linear aliphatic dimethylethoxysilanes terminated with methyl or hydroxyl groups were prepared, characterized, and used to coat aluminum. The effect upon icing using a microdroplet freezing apparatus and the Adverse Environment Rotor Test Stand found hydroxyl-terminated materials exhibited a greater propensity for ice formation and adhesion. Molecular dynamics simulations of a silica substrate bearing functionalized species of similar composition were brought into contact with a pre-equilibrated ice crystal. Several parameters including chain mobility were monitored to ascertain the size of a quasi-liquid layer. The studies suggested that chain mobility affected the interface between ice and the surface more than terminal group chemical composition.

Smith, Joseph G., Jr.↗
DOE OSTI2023

Variational Quantum Linear Solver

Previously proposed quantum algorithms for solving linear systems of equations cannot be implemented in the near term due to the re quired circuit depth. Here, we propose a hybrid quantum-classical algorithm, called Variational Quantum Linear Solver (VQLS), for solving linear systems on near-term quantum computers. VQLS seeks to variationally prepare |x$\rangle$ such that A|x$\rangle$ ∝ |b$\rangle$. We derive an operationally meaningful termination condition for VQLS that allows one to guarantee that a desired solution precision ϵ is achieved. Specifically, we prove that C $⩾$ ϵ 2 /κ 2 , where C is the VQLS cost function and κ is the condition number of A. We present efficient quantum circuits to estimate C, while providing evidence for the classical hardness of its estimation. Using Rigetti’s quantum computer, we success fully implement VQLS up to a problem size of 1024 × 1024. Finally, we numerically solve nontrivial problems of size up to 2 50 × 2 50 . For the specific examples that we consider, we heuristically find that the time complexity of VQLS scales efficiently in ϵ, κ, and the system size N.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
NASA NTRS1993

Interoperability through standardization: Electronic mail, and X Window systems

Since the introduction of computing machines, there has been continual advances in computer and communication technologies and approaching limits. The user interface has evolved from a row of switches, character based interface using teletype terminals and then video terminals, to present day graphical user interface. It is expected that next significant advances will come in the availability of services, such as electronic mail and directory services, as the standards for applications are developed and in the 'easy to use' interfaces, such as Graphical User Interface for example Window and X Window, which are being standardized. Various proprietary electronic mail (email) systems are in use within organizations at each center of NASA. Each system provides email services to users within an organization, however the support for email services across organizations and across centers exists at centers to a varying degree and is often easy to use. A recent NASA email initiative is intended 'to provide a simple way to send email across organizational boundaries without disruption of installed base.' The initiative calls for integration of existing organizational email systems through gateways connected by a message switch, supporting X.400 and SMTP protocols, to create a NASA wide email system and for implementation of NASA wide email directory services based on OSI standard X.500. A brief overview of MSFC efforts as a part of this initiative are described. Window based graphical user interfaces make computers easy to use. X window protocol has been developed at Massachusetts Institute of Technology in 1984/1985 to provide uniform window based interface in a distributed computing environment with heterogenous computers. It has since become a standard supported by a number of major manufacturers. Z Windows systems, terminals and workstations, and X Window applications are becoming available. However impact of its use in the Local Area Network environment on the network traffic are not well understood. It is expected that the use of X Windows systems will increase at MSFC especially for Unix based systems. An overview of X Window protocol is presented and its impact on the network traffic is examined. It is proposed that an analytical model of X Window systems in the network environment be developed and validated through the use of measurements to generate application and user profiles.

Amin, Ashok T.↗
DOE OSTI2024

HSV ‐1 ICP0 dimer domain adopts a novel β‐barrel fold

Abstract Infected cell protein 0 (ICP0) is an immediate‐early regulatory protein of herpes simplex virus 1 (HSV‐1) that possesses E3 ubiquitin ligase activity. ICP0 transactivates viral genes, in part, through its C‐terminal dimer domain (residues 555–767). Deletion of this dimer domain results in reduced viral gene expression, lytic infection, and reactivation from latency. Since ICP0's dimer domain is associated with its transactivation activity and efficient viral replication, we wanted to determine the structure of this specific domain. The C‐terminus of ICP0 was purified from bacteria and analyzed by X‐ray crystallography to solve its structure. Each subunit or monomer in the ICP0 dimer is composed of nine β‐strands and two α‐helices. Interestingly, two adjacent β‐strands from one monomer “reach” into the adjacent subunit during dimer formation, generating two β‐barrel‐like structures. Additionally, crystallographic analyses indicate a tetramer structure is formed from two β‐strands of each dimer, creating a “stacking” of the β‐barrels. The structural protein database searches indicate the fold or structure adopted by the ICP0 dimer is novel. The dimer is held together by an extensive network of hydrogen bonds. Computational analyses reveal that ICP0 can either form a dimer or bind to SUMO1 via its C‐terminal SUMO‐interacting motifs but not both. Understanding the structure of the dimer domain will provide insights into the activities of ICP0 and, ultimately, the HSV‐1 life cycle.

Biochemistry & Molecular Biology↗
DOE OSTI2021

The impact of surface composition on the interfacial energetics and photoelectrochemical properties of BiVO{sub 4}.

The ability to engineer a photoelectrode surface is pivotal for optimizing the properties of any photoelectrode used for solar fuel production. Altering crystal facets exposed on the surface of photoelectrodes has been a major strategy to modify their surface structure. However, there exist numerous ways to terminate the surface even for the same facet, which can considerably alter the photoelectrode properties. Here we report tightly integrated experimental and computational investigations of epitaxial BiVO4 photoelectrodes with vanadium- and bismuth-rich (010) facets. Our study demonstrates that even for the same facet the surface Bi:V ratio has a remarkable impact on the interfacial energetics and photoelectrochemical properties. We also elucidate the microscopic origins of how the surface composition can affect the photoelectrochemical properties. This study opens an unexplored path for understanding and engineering surface energetics via tuning the surface termination/composition of multinary oxide photoelectrodes.

Lee, Dongho↗
DOE OSTI2025

A Machine Learning Framework for Modeling Ensemble Properties of Atomically Disordered Materials

Atomic disorder can strongly influence material properties such as charge transport, optical response, and catalytic activity. However, efficiently modeling these disorder effects remains challenging for first-principles methods due to the cost of sampling large configurational spaces and computing complex physical quantities. Recent advances of machine learning techniques, particularly graph neural networks (GNNs), has enabled the efficient and accurate predictions of complex material properties, offering promising tools for studying disordered systems. In this work, we present a general machine-learning-assisted computational framework that integrates equivariant GNNs with Monte Carlo simulations to compute the thermodynamic and ensemble-averaged functional properties of disordered materials. Using the surface-termination-disordered MXene monolayer Ti 3 C 2 T 2–x as a representative system, we find that electrical conductivity exhibits an emergent peak near the order–disorder phase transition temperature due to the interplay between electron scattering and doping. In contrast, optical conductivity remains largely insensitive to local atomic disorder and reflects the global surface chemical composition. These results highlight the role of atomic disorder in affecting material properties and demonstrate the potential of our approach for statistically modeling disorder effects in a wide range of materials such as high-entropy alloys and spin liquids.

MXene↗
DOE OSTI2019

Defect-mediated selective hydrogenation of nitroarenes on nanostructured WS 2

Transition metal dichalcogenides (TMDs) are well known catalysts as both bulk and nanoscale materials. Two-dimensional (2-D) TMDs, which contain single- and few-layer nanosheets, are increasingly studied as catalytic materials because of their unique thickness-dependent properties and high surface areas. Here, colloidal 2H-WS 2 nanostructures are used as a model 2-D TMD system to understand how high catalytic activity and selectivity can be achieved for useful organic transformations. Free-standing, colloidal 2H-WS 2 nanostructures containing few-layer nanosheets are shown to catalyze the selective hydrogenation of a broad scope of substituted nitroarenes to their corresponding aniline derivatives in the presence of other reducible functional groups. Microscopic and computational studies reveal the important roles of sulfur vacancy-rich basal planes and tungsten-terminated edges, which are more abundant in nanostructured 2-D materials than in their bulk counterparts, in enabling the functional group selectivity. At tungsten-terminated edges and on regions of the basal planes having high concentrations of sulfur vacancies, vertical adsorption of the nitroarene is favored, thus facilitating hydrogen transfer exclusively to the nitro group due to geometric effects. At lower sulfur vacancy concentrations on the basal planes, parallel adsorption of the nitroarene is favored, and the nitro group is selectively hydrogenated due to a lower kinetic barrier. These mechanistic insights reveal how the various defect structures and configurations on 2-D TMD nanostructures facilitate functional group selectivity through distinct mechanisms that depend upon the adsorption geometry, which may have important implications for the design of new and enhanced 2-D catalytic materials across a potentially broad scope of reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1972

Information management advanced development. Volume 1: Summary

The information management systems designed for the modular space station are discussed. Subjects presented are: (1) communications terminal breadboard configuration, (2) digital data bus breadboard configuration, (3) data processing assembly definition, and (4) computer program (software) assembly definition.

Gerber, C. R.↗