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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 1,225 records · Page 68

Interstitial solute segregation at triple junctions: Implications for nanomaterials and a case study of hydrogen in palladium

At very fine grain sizes, grain boundary segregation can deviate from conventional behavior due to triple junction effects. While this issue has been addressed in prior work for substitutional alloys, here we develop a framework that accounts for interstitial sites in the grains, grain boundaries, and triple junctions of model Pd(H) polycrystals. This approach allows computation of interstitial segregation spectra separately at both defect types, which permits an understanding of segregation at all grain sizes via a size-scaling spectral isotherm. Here, the size dependencies of dilute Pd(H) are found to be influenced not only by the triple junction content, but also by grain size–dependent lattice strains; the latter effect is evidenced by size dependencies of individual grain boundary and junction subspectra. The framework proposed here is applicable to interstitial alloys in general and may serve as a basis for interfacial engineering in interstitial nanocrystalline alloys. As an example, we show that using the dilute limit isotherm, hydrogen density can triple in nanocrystalline vis-à-vis microcrystalline Pd due to hydrogen adsorption at intergranular defect sites.

Alloys↗

Interfacial actin protrusions mechanically enhance killing by cytotoxic T cells

Cytotoxic T lymphocytes (CTLs) kill by forming immunological synapses with target cells and secreting toxic proteases and the pore-forming protein perforin into the intercellular space. Immunological synapses are highly dynamic structures that boost perforin activity by applying mechanical force against the target cell. Here, we used high-resolution imaging and microfabrication to investigate how CTLs exert synaptic forces and coordinate their mechanical output with perforin secretion. Using micropatterned stimulatory substrates that enable synapse growth in three dimensions, we found that perforin release occurs at the base of actin-rich protrusions that extend from central and intermediate locations within the synapse. These protrusions, which depended on the cytoskeletal regulator WASP and the Arp2/3 actin nucleation complex, were required for synaptic force exertion and efficient killing. They also mediated physical deformation of the target cell surface during CTL–target cell interactions. Here our results reveal the mechanical basis of cellular cytotoxicity and highlight the functional importance of dynamic, three-dimensional architecture in immune cell-cell interfaces.

36 MATERIALS SCIENCE↗

Rational Design of High-Performing Electrodes in Energy Storage Devices

Rational design of interfaces with proper physico-chemical properties is necessary to optimize the performance of electrochemical devices, which requires fundamental understanding of the interfaces. In this project, we leveraged quantum mechanical and molecular dynamics simulations as well as machine learning (ML) technique to correlate the relationships between structure and properties including ion transport and electronic structures of cathode host materials in lithium-sulfur (Li-S) and carbon anode in sodium (Na) batteries for improved electrochemical performance.

25 ENERGY STORAGE↗

Proliferated Resilient Economical Half-Meter Aperture Space Telescopes (PREEMPT)

The PREEMPT LDRD was motivated by a major national need for better space-based imaging systems that are both high performing and affordable for the US Government. Current optical payloads for intelligence, surveillance and reconnaissance (ISR) and space domain awareness (SDA) missions can cost hundreds of millions of dollars and take years to develop, which makes it difficult to build the large constellations required for persistent, world-wide coverage. To address this, the team aimed to advance a different kind of large-aperture (>25 cm) telescope, called a monolithic telescope, in which key optical surfaces are built into a single piece of fused silica. This design greatly reduces payload and spacecraft complexity, the need for precision focus actuators, improves mechanical and thermal robustness, and lowers cost when compared with traditional Cassegrain telescopes that rely on many precisely aligned components. The project focused on five primary thrusts. The first thrust was to advance the concept of a V10, 25 cm, monolithic telescope forward from optical design to flight-ready stage. This was accomplished in partnership with Optimax, who delivered the first test unit in the early stages of the LDRD. The team developed several technologies necessary for this optic to be integrated into a flight demonstration. These include carbon fiber housings, highly detailed structural and thermal models and stress-reducing elastic averaging Hirth groove designs. These technologies resulted in a successful maturation of the optic, which is now slated to fly in late 2026/early 2027 for a demonstration mission. The second thrust was to advance the manufacturability of these optics. In collaboration with NIF’s optical manufacturing shop, we reduced polishing time from 480 hours to 65 hours through the implementation of optimized processes and new tools. The NIF team utilized a conceptual V8 (18 cm) optic to demonstrate this optimization, though it can be applied to the rest of the monolithic optic portfolio. Third, the team developed the first conceptual V20 (50 cm) payload, which is slated to be the next generation of LLNL optical payload systems. A set of structural, dynamic and thermal simulations were performed to identify potential challenges in the future development of this payload. Early-stage simulations suggest the payload is feasible, though thermal management will be the key focus area to maintain optimal performance. Fourth, a non-linear model of Viton was developed, to further enhance the reliability of our structural and dynamic models for future payloads. Viton acts as the primary interface material between the optic and its housing. Lastly, the team focused on successfully displaying the feasibility of using additively manufactured metal composites for optical space payloads. The team successfully demonstrated layer by layer deposition of Al-SiC composites, which have highly tunable structural and coefficient of thermal expansion (CTE) properties. These are crucial for optical payloads because CTE mismatch is one of the causes for degraded optical performance for telescopes in orbit. Overall, the work showed that monolithic telescopes could become a practical, lower-cost path to high-resolution space imaging for both national security and scientific missions.

42 ENGINEERING↗

Microphysics of liquid water in sub-10 nm ultrafine aerosol particles

Abstract. Ultrafine aerosol particles with sizes smaller than 50 nm have been shown in recent studies to serve as a large source of cloud condensation nuclei that can promote additional cloud droplet formation under supersaturation conditions. Knowledge of the microphysics of liquid water in these droplets remains limited, particularly in the sub-10 nm particle size range, due to experimental and theoretical challenges associated with the complexity of aerosol components and the small length scales of interest (e.g., difficulty of precisely sampling the liquid–air interface, questionable validity of mean-field theoretical representations). Here, we carried out molecular dynamics (MD) simulations of aerosol particles with diameters between 1 and 10 nm and characterized atomistic-level structure and water dynamics in well-mixed and phase-separated systems with different particle sizes, NaCl salinities, and pimelic acid (PML) organic surface loadings as a function of distance from the time-averaged Gibbs dividing interface or instantaneous water–air interface. We define a sphericity factor (ϕ) that can shed light on the phase-mixing state of nanodroplets, and we reveal an unexpected dependence of mixing state on droplet size. Our results also evidence an ion concentration enhancement in ultrafine aerosols, which should modulate salt nucleation kinetics in sub-10 nm droplets, and provide detailed characterization of the influence of droplet size on surface tension and on water self-diffusivity near the interface. Analysis of water evaporation free energy and water activity demonstrates the validity of the Kelvin equation and Köhler theory at droplet sizes larger than 4 nm under moderate salinities and organic loadings and the need for further extension to account for ion concentration enhancement in sub-10 nm aerosols, droplet-size-dependent phase separation effects, and a sharp decrease in the cohesiveness of liquid water in sub-4 nm droplets. Finally, we show that an idealized fractional surface coating factor (fs) can be used to categorize and reconcile water accommodation coefficients (α*) observed in MD simulations and experimental results in the presence of organic coatings, and we resolve the droplet size dependence of α*.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Simulation use in the development and validation of HiMAT flight software

The use of real time simulation in the development and validation of flight software for the highly maneuverable aircraft technology (HiMAT) remotely piloted research vehicle is described. Four simulations are interfaced with varying amounts of actual flight hardware to produce dynamic system operation.

Myers, A.↗

The role of satellite altimetry in climate studies

The results of three generations of satellite-borne radar altimetry experiments are summarized. The diverse measurements possible from this instrument are shown to be directly applicable to studies of the importance of the oceans in climate. The radar altimeter has unique value for investigations seeking knowledge of the interconnections between ocean dynamics, heat and momentum transfer across the air-sea interface, sea ice extent, and polar ice sheet thickness.

Parsons, C. L.↗

Application of the MHD energy principle to magnetostatic atmospheres

The MHD energy principle is applied to the stability of a magnetized atmosphere which is bounded below by much denser fluid, as is the solar corona. The two fluids are treated as ideal; the approximation is consistent with the energy principle, and the dynamical conditions that must hold at a fluid-fluid interface are used to show that if vertical displacements of the lower boundary are premitted, then the lower atmosphere must be perturbed as well. However, displacements which do not perturb the coronal boundary can be properly treated as isolated perturbations of the corona alone.

Zweibel, E. G.↗

Application of the MHD energy principle to magnetostatic atmospheres

The MHD energy principle is applied to the stability of a magnetized atmosphere which is bounded below by much denser fluid, as is the solar corona. The two fluids are treated as ideal; the approximation is consistent with the energy principle, and the dynamical conditions that must hold at a fluid-fluid interface are used to show that if vertical displacements of the lower boundary are permitted, then the lower atmosphere must be perturbed as well. However, displacements which do not perturb the coronal boundary can be properly treated as isolated perturbations of the corona alone.

Zweibel, E. G.↗

Component mode synthesis and large deflection vibration of complex structures. Volume 1: Examples of NASTRAN modal synthesis capability

The use of NASTRAN model synthesis capability is illustrated. A classical truss problem is examined and the results are compared to results from other methods to test for accuracy. The problem is examined using both fixed interface modes and free interface modes. The solution is carried out for an applied dynamic load as far as recovery of forces in individual members as a function of time. Another small beam problem is used to compare different means of combining substructures.

Mei, Chuh↗

Rotor-body coupling revisited

Two analytical procedures are discussed that are currently used to couple rotor and body equations. The first approach, a 'rotor-body iteration' procedure, is often used in flight dynamics simulations. In this approach, acceleration response at the hub interface between the rotor and body are calculated from the body set of equations. These hub acceleration responses are substituted into the rotor set of equations and the remaining rotor acceleration responses are calculated. These rotor responses are used to calculate the rotor hub loads which are transferred back to the body equations to initiate the next iteration. The second method is a 'fully coupled' equations approach that is used in finite element-based analyses. The body and rotor sets of equations are coupled using a kinematic constraint relation at the hub interface. This paper compares the advantages of the two approaches and shows where convergence problems occur in the rotor-body iteration procedure.

Stephens, Wendell B.↗

Electromagnetic finite elements based on a four-potential variational principle

Electromagnetic finite elements based on a variational principle that uses the electromagnetic four-potential as primary variable are derived. This choice is used to construct elements suitable for downstream coupling with mechanical and thermal finite elements for the analysis of electromagnetic/mechanical systems that involve superconductors. The main advantages of the four-potential as a basis for finite element formulation are: (1) the number of degrees of freedom per node remains modest as the problem dimensionality increases, (2) jump discontinuities on interfaces are naturally accommodated, and (3) statics as well as dynamics may be treated without any a priori approximations. The new elements are tested on an axisymmetric problem under steady-state forcing conditions. The results are in excellent agreement with analytical solutions.

Schuler, James↗

The AI Bus architecture for distributed knowledge-based systems

The AI Bus architecture is layered, distributed object oriented framework developed to support the requirements of advanced technology programs for an order of magnitude improvement in software costs. The consequent need for highly autonomous computer systems, adaptable to new technology advances over a long lifespan, led to the design of an open architecture and toolbox for building large scale, robust, production quality systems. The AI Bus accommodates a mix of knowledge based and conventional components, running on heterogeneous, distributed real world and testbed environment. The concepts and design is described of the AI Bus architecture and its current implementation status as a Unix C++ library or reusable objects. Each high level semiautonomous agent process consists of a number of knowledge sources together with interagent communication mechanisms based on shared blackboards and message passing acquaintances. Standard interfaces and protocols are followed for combining and validating subsystems. Dynamic probes or demons provide an event driven means for providing active objects with shared access to resources, and each other, while not violating their security.

Schultz, Roger D.↗

Electromagnetic finite elements based on a four-potential variational principle

Electromagnetic finite elements based on a variational principle that uses the electromagnetic four-potential as a primary variable are derived. This choice is used to construct elements suitable for downstream coupling with mechanical and thermal finite elements for the analysis of electromagnetic/mechanical systems that involve superconductors. The main advantages of the four-potential as a basis for finite element formulation are that the number of degrees of freedom per node remains modest as the problem dimensionally increases, that jump discontinuities on interfaces are naturally accommodated, and that statics as well as dynamics may be treated without any a priori approximations. The new elements are tested on an axisymmetric problem under steady state forcing conditions. The results are in excellent agreement with analytical solutions.

Schuler, James J.↗

Lidar analysis techniques for use in the atmospheric boundary layer

There is a growing body of observational and theoretical evidence which suggests that local climate characteristics are associated with variations in the earth's surface. The link between surface variability and local-scale processes must be made if we are to improve our understanding of the feedback mechanisms involved in surface-atmosphere dynamics. However, to understand these interactions, the surface-atmosphere interface must be studied as a large-scale spatial system. Lidars are ideal tools to study the spatial properties of the atmosphere. The described techniques were developed for use with the Los Alamos Water Raman-Lidar, but are applicable to many other types of lidar. The methodology of the analysis of lidar data is summarized in order to determine meteorological parameters in the atmospheric boundary layer. The techniques are not exhaustive but are intended to show the depth and breadth of the information which can be obtained from lidars. Two methods for the computation of water-vapor fluxes were developed. The first uses the fact that the water vapor concentration in the vertical direction follows a logarithmic profile when corrected for atmospheric stability. The second method involves using inertial dissipation techniques in which lidar-derived spatial and temporal power spectra are used to determine the flux.

Eichinger, William E.↗

A six-degree-of-freedom guidance and control analysis of Mars aerocapture

A six-degree-of-freedom (6DOF) simulation is developed to investigate the control and guidance issues of a Mars aerobraking vehicle. The guidance algorithm used is a predictor-corrector guidance formulation designed to control the exit orbital apoapsis and wedge angle using bank-angle modulation. Major features of this predictor-corrector guidance algorithm include: (1) integration of the 3DOF equations of motion within an inner-loop simulation; (2) load-relief logic; (3) finite roll rates; and (4) an aerodynamic feedback multiplier. The algorithm is capable of successfully guiding the vehicle through combinations of atmospheric density dispersions, aerodynamic mispredictions, and off-nominal atmospheric interface conditions. This study demonstrated that the addition of vehicle dynamics to the Mars aerobraking simulation does not significantly impact mission feasibility. That is, a robust control system design coupled with an adaptive guidance algorithm can assure mission success in the presence of numerous off-nominal conditions.

Powell, Richard W.↗

Employment of CB models for non-linear dynamic analysis

The non-linear dynamic analysis of large structures is always very time, effort and CPU consuming. Whenever possible the reduction of the size of the mathematical model involved is of main importance to speed up the computational procedures. Such reduction can be performed for the part of the structure which perform linearly. Most of the time, the classical Guyan reduction process is used. For non-linear dynamic process where the non-linearity is present at interfaces between different structures, Craig-Bampton models can provide a very rich information, and allow easy selection of the relevant modes with respect to the phenomenon driving the non-linearity. The paper presents the employment of Craig-Bampton models combined with Newmark direct integration for solving non-linear friction problems appearing at the interface between the Hubble Space Telescope and its solar arrays during in-orbit maneuvers. Theory, implementation in the FEM code ASKA, and practical results are shown.

Klein, M. R. M.↗

Reliable interface design for combining asynchronous and synchronous circuits

In order to successfully integrate asynchronous and synchronous designs, great care must be taken at the interface between the two types of systems. Synchronizing asynchronous inputs with a free running clock can cause well-known problems with metastability in the synchronization circuits. Stretchable clocks allow a clock cycle to expand dynamically in response to the metastability effects of sampling asynchronous inputs. We use an interface organization where the special circuitry for detecting metastability and for stretching the clock that is delivered to the synchronous part of the system is encapsulated in a Q-flop-based interface. This provides a very convenient method for interfacing mixed systems, as the interface and clock generation circuitry are isolated into one special module, and neither the asynchronous nor the synchronous system need be modified internally to accommodate the interface. This is especially important when standard synchronous components are used as there is no opportunity to modify these parts. We show that this interface module is suitable for most mixed design needs and conclude with an example.

Josephson, Lueli↗