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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Chemical interactions that govern the structures of metals

Most metals adopt simple structures such as body-centered cubic (BCC), face-centered cubic (FCC), and hexagonal close-packed (HCP) structures in specific groupings across the periodic table, and many undergo transitions to surprisingly complex structures on compression, not expected from conventional free-electron-based theories of metals. First-principles calculations have been able to reproduce many observed structures and transitions, but a unified, predictive theory that underlies this behavior is not yet in hand. Discovered by analyzing the electronic properties of metals in various lattices over a broad range of sizes and geometries, a remarkably simple theory shows that the stability of metal structures is governed by electrons occupying local interstitial orbitals and their strong chemical interactions. The theory provides a basis for understanding and predicting structures in solid compounds and alloys over a broad range of conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Multidisciplinary Modeling Software for Analysis, Design, and Optimization of HRRLS Vehicles

The concept for Highly Reliable Reusable Launch Systems (HRRLS) under the NASA Hypersonics project is a two-stage-to-orbit, horizontal-take-off / horizontal-landing, (HTHL) architecture with an air-breathing first stage. The first stage vehicle is a slender body with an air-breathing propulsion system that is highly integrated with the airframe. The light weight slender body will deflect significantly during flight. This global deflection affects the flow over the vehicle and into the engine and thus the loads and moments on the vehicle. High-fidelity multi-disciplinary analyses that accounts for these fluid-structures-thermal interactions are required to accurately predict the vehicle loads and resultant response. These predictions of vehicle response to multi physics loads, calculated with fluid-structural-thermal interaction, are required in order to optimize the vehicle design over its full operating range. This contract with ResearchSouth addresses one of the primary objectives of the Vehicle Technology Integration (VTI) discipline: the development of high-fidelity multi-disciplinary analysis and optimization methods and tools for HRRLS vehicles. The primary goal of this effort is the development of an integrated software system that can be used for full-vehicle optimization. This goal was accomplished by: 1) integrating the master code, FEMAP, into the multidiscipline software network to direct the coupling to assure accurate fluid-structure-thermal interaction solutions; 2) loosely-coupling the Euler flow solver FEFLO to the available and proven aeroelasticity and large deformation (FEAP) code; 3) providing a coupled Euler-boundary layer capability for rapid viscous flow simulation; 4) developing and implementing improved Euler/RANS algorithms into the FEFLO CFD code to provide accurate shock capturing, skin friction, and heat-transfer predictions for HRRLS vehicles in hypersonic flow, 5) performing a Reynolds-averaged Navier-Stokes computation on an HRRLS configuration; 6) integrating the RANS solver with the FEAP code for coupled fluid-structure-thermal capability; and 7) integrating the existing NASA SRGULL propulsion flow path prediction software with the FEFLO software for quasi-3D propulsion flow path predictions, 8) improving and integrating into the network, an existing adjoint-based design optimization code.

Spradley, Lawrence W.↗
DOE OSTI2020

Swine Host Protein Coiled-Coil Domain-Containing 115 (CCDC115) Interacts with Classical Swine Fever Virus Structural Glycoprotein E2 during Virus Replication

Interactions between the major structural glycoprotein E2 of classical swine fever virus (CSFV) with host proteins have been identified as important factors affecting virus replication and virulence. Previously, using the yeast two-hybrid system, we identified swine host proteins specifically interacting with CSFV E2. In this report, we use a proximity ligation assay to demonstrate that swine host protein CCDC115 interacts with E2 in CSFV-infected swine cells. Using a randomly mutated E2 library in the context of a yeast two-hybrid methodology, specific amino acid mutations in the CSFV E2 protein responsible for disrupting the interaction with CCDC115 were identified. A recombinant CSFV mutant (E2ΔCCDC115v) harboring amino acid changes disrupting the E2 protein interaction with CCDC115 was produced and used as a tool to assess the role of the E2–CCDC115 interaction in viral replication and virulence in swine. CSFV E2ΔCCDC115v showed a slightly decreased ability to replicate in the SK6 swine cell line and a greater replication defect in primary swine macrophage cultures. A decreased E2–CCDC115 interaction detected by PLA is observed in cells infected with E2ΔCCDC115v. Importantly, animals intranasally infected with 105 TCID50 of E2ΔCCDC115v experienced a significantly longer survival period when compared with those infected with the parental Brescia strain. This result would indicate that the ability of CSFV E2 to bind host CCDC115 protein during infection plays an important role in virus replication in swine macrophages and in virus virulence during the infection in domestic swine.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Dephasing of ion beams as magnetic vortex acceleration regime transitions into a bubble-like field structure

The interaction of an ultra-intense laser pulse with a near critical density target results in the formation of a plasma channel, a strong azimuthal magnetic field and moving vortices. An application of this is the generation of energetic and collimated ion beams via magnetic vortex acceleration. The optimized regime of magnetic vortex acceleration is becoming experimentally accessible with new high intensity laser beamlines coming online and advances made in near critical density target fabrication. The robustness of the acceleration mechanism with realistic experimental conditions is examined with three-dimensional simulations. Of particular interest is the acceleration performance with different laser temporal contrast conditions, in some cases leading to pre-expanded target profiles prior to the arrival of the main pulse. Preplasma effects on the structure of the accelerating fields are explored, including a detailed analysis of the ion beam properties and the efficiency of the process. Improved scaling laws for the magnetic vortex acceleration mechanism, including the laser focal spot size effects, are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS1978

On the interactions between large-scale structure and fine-grained turbulence in a free shear flow. II - The development of spatial interactions in the mean

The interactions between large-scale structure and fine-grained turbulence in a spatially developing mixing layer are investigated. Both a conditioned average and a time average are employed to separate the nonrandom and random fluctuations in the kinetic energy treatment of the interactions. Shape assumptions applying to the interaction integrals are adopted to obtain a solution to the closure problem. Energy-transfer mechanisms among the mean flow, the fine-grained turbulence and the large-scale structure are discussed. The magnitude of the large-scale structure and its streamwise lifetime both prove to be important in accounting for fine-grained turbulence enhancement.

Alper, A.↗
DOE OSTI2026

Magnetohydrodynamic Wave Mode Conversion in a Pseudostreamer Structure

The interaction of a fast magnetoacoustic wave with a magnetic null point in a pseudostreamer magnetic configuration is modeled. The incident fast wave is excited by an impulsive velocity driver located in the corona outside the Alfvén-acoustic equipartition layer. The fast wave front experiences refraction and wraps around the null point, while the front segment approaching the null point along the magnetic bisector passes through it. In the equipartition layer surrounding the null point, part of the fast wave energy is converted into slow magnetoacoustic waves. Slow waves propagate outward from the null point along the magnetic separatrices. The fronts of slow waves exhibit a characteristic chevron shape. The fast-to-slow mode conversion efficiency increases with the width of the initial perturbation, following a power-law dependence with an index of approximately 1.06. For initial wave amplitudes below about 10% of the local Alfvén speed, the dependence of the conversion efficiency on the initial amplitude is weak. After interacting with the null point, the amplitudes of the fast waves decrease significantly owing to energy conversion and the spreading of wave energy over a broad spatial domain. In contrast, the energy of slow waves remains concentrated in the vicinity of the magnetic separatrices, resulting in less pronounced geometric attenuation of these waves. These findings are consistent with observational reports of the interaction of a coronal fast wave with a pseudostreamer.

Zhong, Yu [Univ. of Warwick, Coventry (United King↗
DOE OSTI2020

Li 4 Ru 2 OCl 10 ·10H 2 O: crystal structure, magnetic properties and bonding interactions in ruthenium-oxo complexes

The results of the structural determination, magnetic characterization, and theoretical calculations of a new ruthenium-oxo complex, Li 4 [Ru 2 OCl 10 ]·10H 2 O, are presented. Single crystals were grown using solvent methods and the crystal structure was characterized by single crystal X-ray diffraction. Li 4 [Ru 2 OCl 10 ]·10H 2 O crystallizes into a low-symmetry triclinic structure ($P\bar1$) due to the much smaller Li + cation compared to K + cation in the tetragonal complex K 4 [Ru 2 OCl 10 ]·H 2 O. The X-ray photoelectron spectra confirm only the single valent Ru 4+ in Li 4 [Ru 2 OCl 10 ]·10H 2 O even though two distinct Ru sites exist in the crystal structure. Magnetic measurements reveal the diamagnetic property of Li 4 [Ru 2 OCl 10 ]·10H 2 O with unpaired electrons existing on Ru 4+ . Furthermore, the molecular orbital analysis matches well with the observed UV and magnetic measurements.

36 MATERIALS SCIENCE↗
NASA NTRS2010

Mapping and Modeling the Extended Winds of the Massive Interacting Binary, Eta Carinae

The combination HST/STIS high spatial and moderate spectral resolutions have revealed the massive interacting wind structure of Eta Carinae by forbidden lines of singly and doubly ionized elements. Throughout the 5.54-year period, lines of Fe++, Ne++, Ar++, S++ and N+ reveal the interacting wind structures, near critical electron densities of 10(exp 5) to 3 x 10(exp 7)cu cm, photoionized by the hot secondary, Eta Car B, Lines of Fe+ and Ni+ trace the denser (>10(exp 7)cu cm. less-ionized (< 8 eV) primary wind of Eta Car A as it wraps around the interacting binary stars. For 5 years of the 5.54 year period, the FUV radiation from Eta Car B escapes the orbital region, ionizing the boundaries of the expanding wind structures. But for three to six months, Eta Car B plunges into the primary wind approaching to within 1 to 2 AU, leading to cutoff of FUV and X-ray fluxes. The interacting wind structure, resolved out to 0.8", drops io ionization and then rebuilds as Eta Car B emerges from the primary wind envelope. Solid Particle Hydrodynamical(SPH) models have been developed extending out to 2000 AU and adapted to include FUV radiation effects of the winds. In turn, synthetic spectroimages of selected forbidden lines have been constructed and compared to the spectroimages recorded by the HST/STIS throughout 1998.0 to 2004.3, extending across the 1998 and 2003.5 minima. By this method, we show that the orbital axis of the binary system must bc within 15 degrees of the Homunculus axis of symmetry and that periastron occurs with Eta Car B passing on the far side of Eta Car B. This result ties the current binary orbit with the bipolar ejection with intervening skirt and leads to implications that the binary system influenced the mass ejection of the l840s and the lesser ejection of the 1890s.

Gull, Ted↗
NASA NTRS1987

Space station structural dynamics/reaction control system interaction study

The performance of the Reaction Control System is impacted by the extreme flexibility of the space station structure. The method used to analyze the periodic thrust profile of a simple form of phase plane logic is presented. The results illustrate the effect on flexible body response of the type of phase plane logic utilized and the choice of control parameters: cycle period and attitude deadband.

Pinnamaneni, M.↗
NASA NTRS1970

Meteoroid-bumper interactions program

An investigation has been made of the interaction of meteoroids with shielded structures. The interaction has been simulated by the impact of Lexan cylinders onto lead shields in order to provide the vaporous debris believed to be created by meteoroid impact on a space vehicle. Shock compression data for Lexan was determined. This, in combination with the known shock compression data for the lead shield, has permitted the definition of the initial high pressure states in the impacted projectile and shield. The debris from such impact events has been permitted to interact with aluminum main walls. The walls were chosen to be sufficiently large to be effectively infinite in diameter compared to the loaded area. The thickness of the wall and the spacing from the shield were varied to determine the effect of these parameters. In addition, the effect of having a body of water behind the wall has been assessed. Measurements of the stagnation pressure in the debris cloud have been made and correlated with the response of the main wall.

Gough, P. S.↗
NASA NTRS1981

The NASTRAN theoretical manual

Designed to accommodate additions and modifications, this commentary on NASTRAN describes the problem solving capabilities of the program in a narrative fashion and presents developments of the analytical and numerical procedures that underlie the program. Seventeen major sections and numerous subsections cover; the organizational aspects of the program, utility matrix routines, static structural analysis, heat transfer, dynamic structural analysis, computer graphics, special structural modeling techniques, error analysis, interaction between structures and fluids, and aeroelastic analysis.

Source record↗
DOE OSTI2024

Metabolic interactions shape emergent biofilm structures in a conceptual model of gut mucosal bacterial communities

Abstract The gut microbiome plays a major role in human health; however, little is known about the structural arrangement of microbes and factors governing their distribution. In this work, we present an in silico agent-based model (ABM) to conceptually simulate the dynamics of gut mucosal bacterial communities. We explored how various types of metabolic interactions, including competition, neutralism, commensalism, and mutualism, affect community structure, through nutrient consumption and metabolite exchange. Results showed that, across scenarios with different initial species abundances, cross-feeding promotes species coexistence. Morphologically, competition and neutralism resulted in segregation, while mutualism and commensalism fostered high intermixing. In addition, cooperative relations resulted in community properties with little sensitivity to the selective uptake of metabolites produced by the host. Moreover, metabolic interactions strongly influenced colonization success following the invasion of newcomer species. These results provide important insights into the utility of ABM in deciphering complex microbiome patterns.

Biotechnology & Applied Microbiology↗
NASA NTRS1975

The dynamic analysis of submerged structures

Methods are described by which the dynamic interaction of structures with surrounding fluids can be computed by using finite element techniques. In all cases, the fluid is assumed to behave as an acoustic medium and is initially stationary. Such problems are solved either by explicitly modeling the fluid (using pressure or displacement as the basic fluid unknown) or by using decoupling approximations which take account of the fluid effects without actually modeling the fluid.

Everstine, G. C.↗
NASA NTRS1989

Towards real-time simulation of large space structures: Stabilization of fluid/thermal/structure interactions and implementation on high performance supercomputers

Within the Center for Space Construction, the SIMSTRUC project's objectives center around the development of simulation tools for the realistic analysis of large space structures. The word 'tools' is the broad sense; it designates mathematical models, finite element/finite difference formulations, computational algorithms, implementations on advanced computer architectures, and visualization capabilities. The results of our activities during the first year within the SIMSTRUC project are reported. On the modeling side, an alternative approach to fluid/thermal/structure interaction analysis that is a departure from the 'loosely coupled' and 'unified' approaches that are being currently practiced are described. The advantages of our approach both in terms of accuracy and computational efficiency were demonstrated. On the computational side, a software architecture for parallel/vector and massively parallel supercomputers that speeds up finite element and finite difference computations by several orders of magnitude is presented. As an example, the simulation of the deployment of a space structure that used to require over six hours of a workstation using a conventional finite element software, now runs on a multiprocessor using a parallel computation strategy in less than three seconds. In order to promote the physical understanding of the simulation behavior, a real-time visualization capability on the Connection Machine, which allows the analyst to watch the graphical animation of the results at the same time these are generated, was also developed. It is believed that by combining efficient analytical formulations with the state-of-the-art high performance computer implementations and superfast visualization capabilities, SIMSTRUC is moving fast towards the real-time simulation of large space structures. The designers as well as the researchers will certainly benefit from this technology.

Farhat, C.↗
NASA NTRS1975

Packaging printed circuit boards: A production application of interactive graphics

The structure and use of an Interactive Graphics Packaging Program (IGPP), conceived to apply computer graphics to the design of packaging electronic circuits onto printed circuit boards (PCB), were described. The intent was to combine the data storage and manipulative power of the computer with the imaginative, intuitive power of a human designer. The hardware includes a CDC 6400 computer and two CDC 777 terminals with CRT screens, light pens, and keyboards. The program is written in FORTRAN 4 extended with the exception of a few functions coded in COMPASS (assembly language). The IGPP performs four major functions for the designer: (1) data input and display, (2) component placement (automatic or manual), (3) conductor path routing (automatic or manual), and (4) data output. The most complex PCB packaged to date measured 16.5 cm by 19 cm and contained 380 components, two layers of ground planes and four layers of conductors mixed with ground planes.

Perrill, W. A.↗
NASA NTRS1976

The structure of shock wave-boundary layer interactions in transonic flow

The structure of transonic shock wave-boundary layer interactions is studied using asymptotic analyses, for an oblique shock impinging on a flat plate boundary layer. Solutions for unseparated laminar and turbulent boundary layers are reviewed, and incipient separation of a turbulent boundary layer is considered.

Adamson, T. C., Jr.↗
DOE OSTI2024

High throughput, accurate gene annotation through AI and HPC-enabled structural analysis

With the advances in next generation sequencing technologies, the number of sequenced genomes is growing exponentially, resulting in a technology bottleneck for the translation of sequence information into usable hypotheses about the function of each gene. We have proposed leveraging our leadership high-performance computing (HPC) resources to help break this annotation bottleneck. Here we design an HPC-based framework to infer gene function from gene sequence by incorporating information about protein structure and interactions predicted by deep learning approaches. Accurate functional prediction and gene annotation using computational methods will facilitate breakthroughs in the genomic sciences essential to understanding and harnessing life processes in bacteria, fungi and plants. The development and applications of the state-of-the-art deep neural networks to protein structural modeling, interaction prediction, sequence comparison, and quality assessment of protein structural models will be made possible by leadership computational resources. These HPC-enabled bioinformatics and molecular modeling tools will provide powerful insights into molecular functions of genes.

59 BASIC BIOLOGICAL SCIENCES↗