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At least 631 records · Page 35

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DOE OSTI2026

Dynamic asymmetric strain imprinted into substrates by an oxide thin film

In film-substrate systems, the substrate role is often considered to be limited to providing static mechanical constraints. Dynamic film-substrate interactions when a structural change in the film modifies the substrate are generally disregarded. Here, using combined x-ray and electron microscopies, we observed that an electrically induced filament in a vanadium dioxide film created strong asymmetric strain in an underlying sapphire substrate. This asymmetric substrate strain fed back into the film and defined the filament expansion direction, revealing the importance of film-substrate dynamic interactions in determining film functionality. Furthermore, the strain imprint propagated at least tens of micrometers deep into the substrate, exceeding the film thickness by more than 200-fold, potentially enabling substrate functionalization as an active mechanical coupling media in three-dimensional integrated microelectronic architectures.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2021

Sensor Domain of Histidine Kinase VxrA of Vibrio cholerae : Hairpin-Swapped Dimer and Its Conformational Change

VxrA and VxrB are cognate histidine kinase (HK)-response regulator (RR) pairs of a two-component signaling system (TCS) found in Vibrio cholerae, a bacterial pathogen that causes cholera. The VxrAB TCS positively regulates virulence, the type VI secretion system, biofilm formation, and cell wall homeostasis in V. cholerae, providing protection from environmental stresses and contributing to the transmission and virulence of the pathogen. The VxrA HK has a unique periplasmic sensor domain (SD) and, remarkably, lacks a cytoplasmic linker domain between the second transmembrane helix and the dimerization and histidine phosphotransfer (DHp) domain, indicating that this system may utilize a potentially unique signal sensing and transmission TCS mechanism. Here, we have determined several crystal structures of VxrA-SD and its mutants. These structures reveal a novel structural fold forming an unusual β hairpin-swapped dimer. A conformational change caused by relative rotation of the two monomers in a VxrA-SD dimer could potentially change the association of transmembrane helices and, subsequently, the pairing of cytoplasmic DHp domains. Based on the structural observation, we propose a putative scissor-like closing regulation mechanism for the VxrA HK. IMPORTANCE V. cholerae has a dynamic life cycle, which requires rapid adaptation to changing external conditions. Two-component signal transduction (TCS) systems allow V. cholerae to sense and respond to these environmental changes. The VxrAB TCS positively regulates a number of important V. cholerae phenotypes, including virulence, the type six secretion system, biofilm formation, and cell wall homeostasis. Here, we provide the crystal structures of the VxrA sensor histidine kinase sensing domain and propose a mechanism for signal transduction. The cognate signal for VxrAB remains unknown; however, in this work we couple our structural analysis with functional assessments of key residues to further our understanding of this important TCS.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2021

Instabilities driven by the fundamental crabbing mode

The Electron Ion Collider (EIC) requires crab cavities to correct for crossing angle effects. These cavities produce a time varying horizontal kick that makes the collision head on in the center of mass frame of the bunches. This results in a luminosity that is very close to the the luminosity obtained without a crossing angle. Producing the kick requires a transverse RF field. This field requires a superconducting resonator and reasonable power levels require loaded quality factors of order a million. This results is a very large transverse impedance for the crabbing mode. The horizontal beta function is large and this, coupled with the large transverse impedance of the resonator can lead to strong instabilities. In the first section of the paper a simple model is used to describe the situation without feedback. There are large ranges of tune leading to strong instabilities in both the electron and hadron storage rings of the EIC. These estimates are confirmed with simulations. In the second section, RF feedback is used to reduce the apparent impedance of the crabbing mode. Simulating the actual feedback would require both a significant rewrite of the tracking code and a significant reduction in computational speed. Instead, the apparent impedance is fitted using one pole filters, which allows use of the existing simulation code. In the third section a transverse damping system is outlined.

43 PARTICLE ACCELERATORS↗

DOE OSTI2022

Models to Incorporate Reaction Mechanisms into DG-OSPREY: Fixed-Bed Simulations for Organic Iodides Capture Using Ag 0 Z

As one of the most potent radioisotopes released during spent nuclear fuel reprocessing, 129 I is strictly regulated and must be removed before discharge. Organic iodides (primarily alkyl iodides with different chain lengths, i.e., CH 3 I, C 4 H 9 I, and C 12 H 25 I) comprise ~2% of the total iodine in the reprocessing off-gases and are primarily present in vessel off-gas (VOG). Reduced silver mordenite (Ag 0 Z) is predominantly considered for the removal of radioiodine; however, its capture performance and underlying interaction processes with long-chain organic iodides are not fully understood. Two major tasks were accomplished in this study. First, to improve upon the previous experimental studies where Ag 0 Z was used to capture CH 3 I, C 4 H 9 I, and C 12 H 25 I at different concentrations, we comprehensively investigated the corresponding capture mechanisms by characterizing fully loaded Ag 0 Z samples. Second, computational codes were implemented to perform fixed-bed simulations that account for transport and reaction mechanisms. Scanning electron microscopy with energy dispersive X-ray analysis (SEM-EDX), powder X-ray diffraction (PXRD), UV-visible diffuse reflectance spectroscopy (UV-vis DRS), and thermogravimetric analysis (TGA) were conducted on Ag 0 Z samples that are saturated with I 2 , CH 3 I, C 4 H 9 I, and C 12 H 25 I), respectively. Results indicate that AgI is the predominant adsorption product regardless of the adsorbed iodine species, yet alkyl iodides with different carbon chain lengths may have different compositions of α- and γ-AgI. Synchrotron pair distribution function (PDF) measurements and TGA coupled with a Fourier transformed infrared detector (TGA FTIR) have been performed, and experimental data are currently analyzed. Results are expected to provide further insights into the adsorption mechanisms. The fixed-bed capture performance for CH 3 I was successfully simulated by solving mathematical equations that describe the underlying transport processes and adsorption reactions. The computational framework, Catalytic After Treatment System (CATS), that was originated in our research group, was used to solve the governing equations. Kinetic parameters, including the pore diffusivity and reaction rate constant were obtained by optimization techniques using data from thin-bed experiments performed at Oak Ridge National Laboratory. The performance of a deep bed predicted using the optimized parameters showed promising agreement with the experimental data.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2025

Modeling Charge Transfer Excitation with Variation After Response Quantum Monte Carlo (Final Technical Report)

The electronically excited states of molecules play critical roles both in spectroscopy and in technological application, ranging from UV/Vis absorption experiments to the production of solar fuels. However, certain types of excitations, such as charge transfer excitations, remain difficult to treat with existing methods such as time dependent density functional theory or linear response coupled cluster. Under this Early Career Research Award, we developed a number of different theoretical methods to address this issue, which began with Variational Monte Carlo methods and branched into multiple types of excited-state-specific quantum chemistry.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1972

Synthesis of stiffened conical shells.

The development of a method to effect the automated minimum weight design of ring and stringer stiffened shells is presented. Membrane theory is used for the shell prebuckling analysis. The buckling analysis is based upon an arbitrary shell of revolution computer program. The structural analysis includes both buckling and yielding modes of failure. The synthesis involves the coupling of an exterior penalty function with a method for the unconstrained minimization of a function comprised of a sum of squares. Results of the application of the method to the design of the Viking Aeroshell cone are presented. The least weight Viking Aeroshell appears to be an all magnesium shell with ring stiffeners of hollow circular cross section. Because the method incorporates a general shell of revolution buckling analysis, it can be readily modified and applied to the design of any axisymmetrically loaded uniformly stiffened shell of revolution for which a membrane prebuckling solution exists.

Thornton, W. A.↗

NASA NTRS1973

Functions of a new photoreceptor membrane

In the investigation of light responses on halobacteria phototaxis; ATP synthesis; and changes in O2 consumption, purple membrane biosynthesis, and proton translocation were found. The last three effects are discussed, which suggest that the purple membrane may function as an energy-coupling membrane for light. It is also suggested that purple membrane, through cyclic light-induced conformational changes of its bacteriorhodopsin, directly converts absorbed light energy into a proton gradient and presumably also an electric potential difference across the membrane analogous to observations in other prokaryotic cells, mitochondria, and chloroplasts.

Oesterhelt, D.↗

NASA NTRS1982

Continuously-Variable Positive-Mesh Power Transmission

Proposed transmission with continuously-variable speed ratio couples two mechanical trigonometric-function generators. Transmission is expected to handle higher loads than conventional variable-pulley drives; and, unlike variable pulley, positive traction through entire drive train with no reliance on friction to transmit power. Able to vary speed continuously through zero and into reverse. Possible applications in instrumentation where drive-train slippage cannot be tolerated.

Johnson, J. L.↗

NASA NTRS1986

Kinetics and mechanism of corrosion of SiC by molten salts

Corrosion of sintered alpha-SiC under thin films of Na2CO3/CO2, Na2SO4/O2, and Na2SO4/SO3 was investigated at 1000 C. Chemical analysis was used to follow silicate and silica evolution as a function of time. This information coupled with morphology observations leads to a detailed corrosion mechanism. In all cases the corrosion reactions occur primarily in the first few hours. In the Na2CO3/CO2 case, rapid oxidation and dissolution lead to a thick layer of silicate melt in about 0.25 h. After this, silica forms a protective layer on the carbide. In the Na2SO4/O2 case, a similar mechanism occurs. In the Na2SO4/SO3 case, a porous nonprotective layer of SiO2 grows directly on the carbide, and a silicate melt forms above this. In addition, SiO2 and regenerated Na2SO4 form at the melt/gas interface due to reaction of silicate with SO3 and SO2 + O2. The reaction slows when the lower silica layer becomes nonporous.

Jacobson, N. S.↗

NASA NTRS1986

Temperature and intensity dependence of photorefractive effect in GaAs

The photorefractive effect in semi-insulating Cr-doped GaAs as measured by the beam coupling technique was investigated as functions of temperature (295-386 K) and intensity (0.15-98 mW/sq cm of 1.15-micron light beams from a He-Ne laser). Results show that the photorefractive effect deteriorates rapidly over a narrow range of temperature as temperature rises, and that this characteristic temperature increases with the logarithm of beam intensity. The observed phenomenon is attributed to the competing effects of the dark- and light-induced conductivities.

Cheng, Li-Jen↗

NASA NTRS1987

Jovian seismology

It is hypothesized that observations of the Doppler shifting of IR and UV absorption lines may furnish a powerful method for the detection of 4.5-9 min standing acoustic waves trapped in a wave duct beneath the Jupiter tropopause. Similarly, data could be obtained on Jupiter's thermal and density structure, and on the depth to which its zonal winds penetrate. The present model of standing oscillations in the molecular hydrogen envelope gives attention to theoretical eigenfrequencies and to such forcing functions for wave generation as coupling with turbulent and convective motions, thermal instability due to radiative transfer, wave propagation effects in a saturated atmosphere, and ortho-to-parahydrogen conversion. The small contribution that the forcing mechanisms make to velocity amplitudes implies that the Doppler shifting caused by the waves may only be resolvable through the superposition of oscillation records to enhance S/N ratios.

Bercovici, D.↗

NASA NTRS1988

Assessment of the effects of space debris and meteoroids environment on the space station solar array assembly

The methodology used to assess the probability of no impact of space debris and meteoroids on a spacecraft structure is applied to the Space Station solar array assembly. Starting with the space debris and meteoroids flux models, the projected surface area of the solar cell string circuit of the solar array panel and the mast longeron, and the design lifetime, the possibility of no impact on the solar array mast and solar cell string circuits was determined as a function of particle size. The probability of no impact on the cell string circuits was used to derive the probability of no open circuit panel. The probability of meeting a certain power requirement at the end of the design lifetime was then calculated as a function of impacting particle size. Coupled with a penetration and damage models/correlations which relate the particle size to the penetration depth and damage, the results of this analysis can be used to determine the probability of meeting the lower power requirement given a degree of redundancy, and the probability of no impact on the solar array mast.

Nahra, Henry K.↗

NASA NTRS1987

Calculation of wall and free turbulent-shear flows at supersonic speeds

Supersonic turbulent flows are simulated numerically by solving the Reynolds-averaged full Navier-Stokes equations by an implicit finite-volume method. This flux-vector-split upwind scheme uses approximate factorization followed by line-Gauss-Seidel relaxations. The effects of turbulence are modeled by two eddy viscosity models. High-Reynolds-number form of the k-epsilon model is coupled with a wall-function to avoid excessive refinement of the grid in the low-Reynolds number regions. The k-epsilon equations are solved by the explicit-implicit MacCormack method. The algebraic Baldwin-Lomax model is also being used as an inexpensive alternative for the cases which do not experience massive separation. Several examples of two-dimensional solutions are given to illustrate both wall and free turbulent shear flows which include fluid dynamic phenomena, such as shocks, boundary layers, shear layers, wakes, separations and recirculations. The results compared with experimental data show good agreeent.

Baysal, O.↗

NASA NTRS1988

Automation of the space station core module power management and distribution system

Under the Advanced Development Program for Space Station, Marshall Space Flight Center has been developing advanced automation applications for the Power Management and Distribution (PMAD) system inside the Space Station modules for the past three years. The Space Station Module Power Management and Distribution System (SSM/PMAD) test bed features three artificial intelligence (AI) systems coupled with conventional automation software functioning in an autonomous or closed-loop fashion. The AI systems in the test bed include a baseline scheduler/dynamic rescheduler (LES), a load shedding management system (LPLMS), and a fault recovery and management expert system (FRAMES). This test bed will be part of the NASA Systems Autonomy Demonstration for 1990 featuring cooperating expert systems in various Space Station subsystem test beds. It is concluded that advanced automation technology involving AI approaches is sufficiently mature to begin applying the technology to current and planned spacecraft applications including the Space Station.

Weeks, David J.↗

NASA NTRS1988

Stability analysis of multiple rigid robot manipulators holding a common rigid object

The authors consider several possible control structures for multiple-arm systems by regarding either joint torques, tip force, or a generalized acceleration of the control input. They emphasize the first case, since a class of relatively model-independent control laws can be generated for both motion and internal force control. The recently developed move/squeeze orthogonal subspace decomposition coupled with the energy Lyapunov function formulation provides a basic analytical framework within which motion and force control are considered as independent problems. Simulation results of two three-link planar arms are included to demonstrate good transient performance for both motion and force that can be attained with the full dynamics control paradigm.

Wen, John T.↗

NASA NTRS1988

Assessment of the effects of space debris and meteoroids environment on the Space Station solar array assembly

The methodology used to assess the probability of no impact of space debris and meteoroids on a spacecraft structure is applied to the Space Station solar array assembly. Starting with space debris and meteoroid flux models, the projected surface area of the solar cell string circuit of the solar array panel and the mast longeron, and the design lifetime, the possibility of no impact on the solar mast and solar cell string circuits was determined as a function of particle size. The probability of no impact on the cell string circuits was used to derive the probability of no open circuit panel. The probability of meeting a certain power requirement at the end of the design lifetime was then calculated as a function of impacting particle size. Coupled with a penetration and damage models/correlations which relate the particle size to penetration depth and damage, the results of this analysis can be used to determine the probability of meeting the lower power requirement given a degree of redundancy, and the probability of no impact on the solar array mast.

Nahra, Henry K.↗

NASA NTRS1990

On the periodicity of symbolic observations of piecewise smooth discrete-time systems

A study is made of the behavior of discrete-time systems composed of a set of smooth transition maps coupled by a quantized feedback function. The feedback function partitions the state space into disjoint regions and assigns a smooth transition function to each region. The main result is that under a constraint on the norm of the derivative of the transition maps, a bounded state trajectory with limit points in the interior of the switching regions leads to a region index sequence that is eventually periodic. Under these assumptions, it is shown that eventually the feedback function is determined by a finite state automaton. A similar result is proved in the case of finite state dynamic feedback.

Ramadge, Peter J.↗

NASA NTRS1990

Application of advanced multidisciplinary analysis and optimization methods to vehicle design synthesis

Advanced multidisciplinary analysis and optimization methods, namely system sensitivity analysis and non-hierarchical system decomposition, are applied to reduce the cost and improve the visibility of an automated vehicle design synthesis process. This process is inherently complex due to the large number of functional disciplines and associated interdisciplinary couplings. Recent developments in system sensitivity analysis as applied to complex non-hierarchic multidisciplinary design optimization problems enable the decomposition of these complex interactions into sub-processes that can be evaluated in parallel. The application of these techniques results in significant cost, accuracy, and visibility benefits for the entire design synthesis process.

Consoli, Robert David↗