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At least 1,369 records · Page 76

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NASA NTRS1994

The Flux-integral Method for Multidimensional Convection and Diffusion

The flux-integral method is a procedure for constructing an explicit, single-step, forward-in-time, conservative, control volume update of the unsteady, multidimensional convection-diffusion equation. The convective plus diffusive flux at each face of a control-volume cell is estimated by integrating the transported variable and its face-normal derivative over the volume swept out by the convecting velocity field. This yields a unique description of the fluxes, whereas other conservative methods rely on nonunique, arbitrary pseudoflux-difference splitting procedures. The accuracy of the resulting scheme depends on the form of the subcell interpolation assumed, given cell-average data. Cellwise constant behavior results in a (very artificially diffusive) first-order convection scheme. Second-order convection-diffusion schemes correspond to cellwise linear (or bilinear) subcell interpolation. Cellwise quadratic subcell interpolants generate a highly accurate convection-diffusion scheme with excellent phase accuracy. Under constant-coefficient conditions, this is a uniformly third-order polynomial interpolation algorithm (UTOPIA).

Leonard, B. P.↗

NASA NTRS2000

Dynamic Modeling of Off-Nominal Operation in Advanced Life Support Systems

System failures, off-nominal operation, or unexpected interruptions in processing capability can cause unanticipated instabilities in Advanced Life Support (ALS) systems, even long after they are repaired. Much current modeling assumes ALS systems are static and linear, but ALS systems are actually dynamic and nonlinear, especially when failures and off nominal operation are considered. Modeling and simulation provide a way to study the stability and time behavior of nonlinear dynamic ALS systems under changed system configurations or operational scenarios. The dynamic behavior of a nonlinear system can be fully explored only by computer simulation over the full range of inputs and initial conditions. Previous simulations of BIO-Plex in SIMULINK, a toolbox of Matlab, were extended to model the off-nominal operation and long-term dynamics of partially closed physical/chemical and bioregenerative life support systems. System nonlinearity has many interesting potential consequences. Different equilibrium points may be reached for different initial conditions. The system stability can depend on the exact system inputs and initial conditions. The system may oscillate or even in rare cases behave chaotically. Temporary internal hardware failures or external perturbations in ALS systems can lead to dynamic instability and total ALS system failure. Appropriate control techniques can restore reliable operation and minimize the effects of dynamic instabilities due to anomalies or perturbations in a life support system.

Jones, Harry↗

NASA NTRS2018

Molecular Dynamics Simulations of Liquid and Polymer Electrolytes for Energy Storage Devices

Advancing beyond current lithium-ion technology is necessary in order to enable energy storage devices for electric airplanes. Electrolyte stability is a key limiting factor, yet the design of improved electrolytes remains a formidable challenge. Molecular dynamics (MD) simulations are a powerful tool for studying electrolytes, since they can be used to evaluate structural, thermodynamic, and transport properties, and can provide molecular-level detail often inaccessible to experimental techniques. Our computational materials groups at the NASA Ames Research Center has developed models and methods to accurately simulate both liquid and polymer electrolytes.We report the results from atomistic MD simulations of several electrolyte materials, with lithium salts dissolved in ionic liquids, dimethoxyethane (DME), and polyethylene oxide (PEO). For improved accuracy, we employ polarizable models, where each atom is given an environment-dependent atomic dipole. The simulations accurately predict bulk transport properties, including viscosity, diffusion, and ionic conductivity, in quantitative agreement with available experimental data. Moreover, the simulations provide important insights into the solvation structure of the lithium ions.We also report the results from coarse-grained MD simulations of polyanion electrolytes. In order to more efficiently capture the longer length- and time-scales of these systems, we employ a generic bead-spring model. These simulations provide important insight into how the polymer chain architecture and ionic interaction strengths affect the ionic aggregation behavior and cation dynamics. Despite the simplicity of the model, the simulations yield qualitative agreement with experimental data for similar systems.

Abbott, Lauren J.↗

NASA NTRSDate not supplied

Curvature, Variable Density and Compressibility Effects in Turbulent Shear Layers

The combined effects of variable density, curvature, and convective Mach number on turbulence in time-developing free shear layers are studied using turbulence-resolving simulations. The range of parameters considered include the convective Mach number at 0.2 and 0.8, the density ratio at 1/7, 1 and 7, and the level of streamwise curvature, measured by the shear layer thickness ratio to the radius of curvature at 0.001 and 0.01. Simulations at the limit of zero curvature exhibit mean profiles and turbulent stresses comparable with previously simulated planar (non-curved) shear layers. Growth rate changes depending on compressibility, curvature and density ratio are compared with expected behavior and unexpected trends due to combined effects are investigated. Standard turbulent shear layer statistics are presented, including spreading rates, turbulent stresses, and stress budgets to characterize individual and combined effects of the selected physical parameters.

shear layer↗

NASA NTRS1994

Can a variable alpha induce limit cycle behavior and exponential luminosity decay in transient soft x ray sources?

There has been, recently, a revival of the stability problem of accretion disks. Much of this renewed interest is due to recent observational data on transient soft X-ray novae, which are low-mass X-ray binaries. It is widely believed that nonsteady mass transfer from the secondary onto the compact primary, through an accretion disk, is the reason for the observed spectacular events in the form of often repetitive outbursts, with recurrence times ranging from 1 to 60 yr and duration time on the scale of months. Though not having reached yet a consensus about the nature of the mechanism that regulates the mass transfer, the disk thermal instability model seems to be favored by the fact that the rise in the hard X-ray luminosity is prior to the rise in the soft X-ray luminosity, while the mass transfer instability model seems to be hindered by the fact that the luminosity during quiescence is unable to trigger the thermal instability. However, it should be stressed that, remarkably, the X-ray light curves of these X-ray novae all show overall exponential decays, a feature quite difficult to reproduce in the framework of the viscous disk model, which yields powerlike luminosity decay. Taking into account this observational constraint, we have studied the temporal evolution of perturbations in the accretion rate, under the assumption that alpha is radial and parameter dependent. The chosen dependence is such that the model can reproduce limit cycle behavior (the system is locally unstable but globally stable). However, the kind of dependence we are looking for in alpha does not allow us to use the usual Shakura and Sunyaev procedure in the sense that we no longer can obtain a linearized continuity equation without explicit dependence on the accretion rate. This is so because now we cannot eliminate the accretion rate by using the angular momentum conservation equation.

Meirellesfilho, C.↗

DOE OSTI2025

Dynamical Signatures of Thermotoga maritima Maltose-Binding Proteins Affected by Ligand Binding

Functional segregation among protein isoforms depends on the interplay of their overall structures and the molecular dynamics of these structures. Thermotoga maritima maltose-binding protein (tmMBP) isoforms show size-dependent differential binding of maltose and malto-oligomers while maintaining remarkable fold conservation. This differential behavior needs detailed characterization in native-like aqueous conditions to understand the effects of protein dynamics on ligand binding and recognition. Small-angle neutron scattering (SANS), neutron spin echo (NSE) spectroscopy, and dynamic light scattering (DLS) were used in conjunction with previously published computational molecular dynamics (MD) simulations to understand the dynamic behavior of tmMBPs experimentally. SANS provided information on the overall structure of the molecules, while NSE was used to determine the dynamics in the nanosecond time scale. Both tmMBP2 and tmMBP3 have a bidomain architecture linked with a flexible hinge, with the binding pocket sitting in the cleft between the two domains. tmMBP2 and tmMBP3 showed different solution dynamics, with the translational and rotational components dominating the dynamics of both systems, resulting in a clear differentiation of their diffusion pattern. A faster dynamics component was also observed and was attributed to segmental dynamics. Differences observed between the ligand-free (apo) and ligand-bound (holo) states of the two proteins are attributed to conformational entropy. Our results highlight the intricacies of how structure and dynamics can together shape binding to a repertoire of substrates in structurally similar proteins.

Diffusion↗

NASA NTRS1987

Elevated temperature tension, compression and creep-rupture behavior of (001)-oriented single crystal superalloy PWA 1480

Tensile and compressive flow behavior at various temperatures and strain rates, and tensile creep rupture behavior at 850 and 1050 C and various stresses were studied for (001)-oriented single crystals of the Ni-base superalloy PWA 1480. At temperatures up to 760 C, the flow stress is insensitive to strain rate and of greater magnitude in tension than in compression. At temperatures of 800 C and above, the flow stress decreases continuously with decreasing strain rate and the tension/compression anisotropy diminishes. The second stage creep rate and rupture time exhibited power law relationships with the applied stress for both 850 and 1050 C, however with different stress dependencies. The stress exponent for the steady state creep rate was about 7 at 1050 C, but much higher at 850 C, about 12. Directional coarsening of the gamma' phase occurred during creep at 1050 C, but not at 850 C.

Hebsur, Mohan G.↗

NASA NTRS2002

Dynamics of cell proliferation in the adult dentate gyrus of two inbred strains of mice

The output potential of proliferating populations in either the developing or the adult nervous system is critically dependent on the length of the cell cycle (T(c)) and the size of the proliferating population. We developed a new approach for analyzing the cell cycle, the 'Saturate and Survive Method' (SSM), that also reveals the dynamic behaviors in the proliferative population and estimates of the size of the proliferating population. We used this method to analyze the proliferating population of the adult dentate gyrus in 60 day old mice of two inbred strains, C57BL/6J and BALB/cByJ. The results show that the number of cells labeled by exposure to BUdR changes dramatically with time as a function of the number of proliferating cells in the population, the length of the S-phase, cell division, the length of the cell cycle, dilution of the S-phase label, and cell death. The major difference between C57BL/6J and BALB/cByJ mice is the size of the proliferating population, which differs by a factor of two; the lengths of the cell cycle and the S-phase and the probability that a newly produced cell will die within the first 10 days do not differ in these two strains. This indicates that genetic regulation of the size of the proliferating population is independent of the genetic regulation of cell death among those newly produced cells. The dynamic changes in the number of labeled cells as revealed by the SSM protocol also indicate that neither single nor repeated daily injections of BUdR accurately measure 'proliferation.'.

Non-NASA Center↗

NASA NTRS2020

230Th Normalization: New Insights on an Essential Tool for Quantifying Sedimentary Fluxes in the Modern and Quaternary Ocean

230Th normalization is a valuable paleoceanographic tool for reconstructing high‐resolution sediment fluxes during the late Pleistocene (last ~500,000 years). As its application has expanded to ever more diverse marine environments, the nuances of 230Th systematics, with regard to particle type, particle size, lateral advective/diffusive redistribution, and other processes, have emerged. We synthesized over 1000 sedimentary records of 230Th from across the global ocean at two time slices, the late Holocene (0–5,000 years ago, or 0–5 ka) and the Last Glacial Maximum (18.5–23.5 ka), and investigated the spatial structure of 230Th‐normalized mass fluxes. On a global scale, sedimentary mass fluxes were significantly higher during the Last Glacial Maximum (1.79–2.17 g/sq.cmkyr, 95% confidence) relative to the Holocene (1.48–1.68 g/sq.cmkyr, 95% confidence). We then examined the potential confounding influences of boundary scavenging, nepheloid layers, hydrothermal scavenging, size‐dependent sediment fractionation, and carbonate dissolution on the efficacy of 230Th as a constant flux proxy. Anomalous 230Th behavior is sometimes observed proximal to hydrothermal ridges and in continental margins where high particle fluxes and steep continental slopes can lead to the combined effects of boundary scavenging and nepheloid interference. Notwithstanding these limitations, we found that 230Th normalization is a robust tool for determining sediment mass accumulation rates in the majority of pelagic marine settings (>1,000 m water depth).

Costa, Kassandra M.↗

DOE OSTI2025

Designing Peptide Fossils That Model the Evolution of the Bacterial Ferredoxin Fold

Electron transfer coupled to redox chemistry is at the heart of metabolism. The proteins responsible for moving electrons (protein electron carriers) must have emerged at the origin of life. The small iron–sulfur-binding bacterial ferredoxins were likely among these first proteins. Embedded within the ferredoxin sequence and structure is a symmetry that points to an ancient gene duplication event. Little is understood about the nature of ferredoxins prior to this duplication event or what environmental factors may have driven the selection for more complex forms. The deep-time molecular history of ferredoxins goes back billions of years and cannot be reconstructed by phylogenetic analyses based on amino acid sequences. Here, we use structure-guided protein design to model a fossil half-ferredoxin stage in the evolution of this fold, the semidoxins, and their symmetric full-length counterparts, the symdoxins. Semidoxin designs homodimerize, exhibiting structural, thermodynamic, and electrochemical behaviors in most cases identical to cognate symdoxins. However, the semi- and symdoxin fossil stages behave differently when incorporated into an in vivo electron transfer complementation assay. Both can support bacterial growth dependent on protein expression. Growth rates of bacteria expressing the semidoxins are much more sensitive to oxygen than those of bacteria expressing symdoxins. Motivated by the in vivo functionality of designed semidoxins, we identified putative naturally occurring semidoxins in extant anaerobic microorganisms. This is consistent with the observed in vivo oxygen sensitivity of the semidoxin designs. One natural semidoxin is shown to be folded and redox active. However, it exists as a mixture of monomers and dimers, suggesting a potential connection between semidoxins and even simpler single iron–sulfur cluster-binding peptides.

59 BASIC BIOLOGICAL SCIENCES↗

NASA NTRS2005

Using In-Situ Deposition of Metallic Thin Films on Mars to Monitor Atmospheric H20

We describe the use of a novel sensor, designed to characterize the reactive nature of the Martian atmosphere, to also characterize the instantaneous abundance of atmospheric H,O. The sensor deposits, in situ, a thin silver film onto a sapphire substrate and monitors oxidation by measuring resistance of the Ag film during both deposition and subsequent oxidation [1,2]. . The evaporation source is placed in the center of a hollow, open-ended tube. On flash heating the source, evaporated metallic silver rapidly reacts with oxidizing gases in the tube, depositing on the tube walls as a resisitive Ag oxide film. Unoxidized silver deposits over the Ag oxides, once the oxidizing gases in the vicinity of the source have been consumed. Since the ends of the tube are open, atmospheric gases in the tube cause a time delay as the evaporated silver initially reacts with the available O2, and H2O; once oxidizing gases in the tube are significantly depleted, a silver film closes the chemiresistor circuit. In principle this operation mode provides a repeatable measure of the variable H2O abundance, since O2, levels are constant in the atmosphere. To explore the utility of the instrument as an H2O sensor, predict its behavior, and identify possible failure modes, we developed a numerical model of the instrument, and exercised it for Mars conditions. The model predicts the behavior of the electrical circuit, the temperature dependence of resistivity for each component, and the resultant Joule heating. The model balances Joule heating against radiation, sensible heat loss to ambient CO2, and, latent heat loss from sublimating Ag. The flux of Ag atoms from the source is tracked continuously. In the gas phase, the number density of Ag, O2, and H2O is calculated, along with their reaction rates on collision. The model suggests that Ag substantially depletes H2O only near the center of the tube. The model supports the hypothesis that the onset of high conductivity between the A u electrodes is a function of the H2O abundance in the ambient gas, but only to a limit; when H2O abundances are buffered at or above 240K (an H2O abundance that would not have occurred on Mars), metallic Ag never deposits in excess of Ago, and the circuit does not close. A significant difference in the Mars simulation is that the Ag source sublimates more quickly, primarily because of differences in sensible heat fluxes from the source. This allows subsequent heating of the W filament used to support the Ag source. Had the originally-designed experimental sequence been carried out on Mars, the filament might have melted, making subsequent investigations impossible.

Zent, A. P.↗

NASA NTRS2015

Computational Modeling and Experimental Characterization of Martensitic Transformations in Nicoal for Self-Sensing Materials

Fundamental changes to aero-vehicle management require the utilization of automated health monitoring of vehicle structural components. A novel method is the use of self-sensing materials, which contain embedded sensory particles (SP). SPs are micron-sized pieces of shape-memory alloy that undergo transformation when the local strain reaches a prescribed threshold. The transformation is a result of a spontaneous rearrangement of the atoms in the crystal lattice under intensified stress near damaged locations, generating acoustic waves of a specific spectrum that can be detected by a suitably placed sensor. The sensitivity of the method depends on the strength of the emitted signal and its propagation through the material. To study the transition behavior of the sensory particle inside a metal matrix under load, a simulation approach based on a coupled atomistic-continuum model is used. The simulation results indicate a strong dependence of the particle's pseudoelastic response on its crystallographic orientation with respect to the loading direction and suggest possible ways of optimizing particle sensitivity. The technology of embedded sensory particles will serve as the key element in an autonomous structural health monitoring system that will constantly monitor for damage initiation in service, which will enable quick detection of unforeseen damage initiation in real-time and during onground inspections.

Wallace, T. A.↗

NASA NTRS2004

An Experimental Study Synthetic Jets from Rectangular Orifices

Results of an experimental investigation on isolated synthetic jets in crossflow from rectangular orifices of different aspect ratio and orientation are presented. Three aspect ratios, AR = 4, 8, and 16, with pitch a = 90deg., were investigated, Additionally, the AR = 8 case was pitched at 20 deg.. The yaw angle, , was varied through 0 deg., 10 deg., 45 deg. and 90 deg.. All orifices had same exit area and the data were compared with synthetic as well as steady jet from a circular orifice of same area. Hotwire measurements were performed to obtain all three components of mean velocity and turbulent stresses. Data were acquired for momentum-flux ratio up to J = 50. Distributions of time- and phase-averaged data were obtained on the cross sectional plane at x/D = 0.5, 5 and 10, as well as on the axial plane of the symmetry. Qualitative flowfield similarity between synthetic and steady jets is observed. However, high-momentum 'cap' above the low-momentum 'dome', characteristic of steady jets, does not necessarily appear in the synthetic jet. The position and shape of the high-momentum region depend on the distance from the orifice, pitch, yaw as well as momentum-flux ratio. Consequently, the location of the minimum velocity in the 'dome' measured at the plane of symmetry, y(submin), is adopted as a reference for penetration estimate and trajectory comparison. For AR = 16, the dome is the largest in area with maximum velocity deficit. However, the penetration is somewhat higher for AR = 4. Increase in yaw reduces the spatial extent of the dome and the penetration height but augments the velocity deficit. At low J the dome is connected to the boundary layer and traces of the cap of high momentum fluid are visible above it. Increase in J lifts the dome and reorganizes the high-momentum fluid around its perimeter, eventually bringing it underneath. Phase-averaged data document dynamic topological changes within the cycle. Phase-averaged streamwise velocity contours on the cross-sectional plane exhibit behavior commensurate with that seen in time-averaged data at various J.

Milanovic, Ivana M.↗

DOE OSTI2020

Linear in temperature resistivity in the limit of zero temperature from the time reparameterization soft mode

The most puzzling aspect of the ‘strange metal’ behavior of correlated electron compounds is that the linear in temperature resistivity often extends down to low temperatures, lower than natural microscopic energy scales. We consider recently proposed deconfined critical points (or phases) in models of electrons in large dimension lattices with random nearest-neighbor exchange interactions. The criticality is in the class of Sachdev–Ye–Kitaev models, and exhibits a time reparameterization soft mode representing gravity in dual holographic theories. We compute the low temperature resistivity in a large M limit of models with SU(M) spin symmetry, and find that the dominant temperature dependence arises from this soft mode. The resistivity is linear in temperature down to zero temperature at the critical point, with a co-efficient universally proportional to the product of the residual resistivity and the co-efficient of the linear in temperature specific heat. We argue that the time reparameterization soft mode offers a promising and generic mechanism for resolving the strange metal puzzle.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2026

Characterizing the initial state and dynamical evolution in XeXe and PbPb collisions using multiparticle cumulants

For the first time, correlations among mixed-order moments of two or three flow harmonics —( v n k , v m l ) and ( v n k , v m l , v p q ), with k, l, and q denoting the respective orders—are measured in xenon–xenon (XeXe) collisions and compared with lead–lead (PbPb) results, providing a novel probe of collective behavior in heavy ion collisions. These measurements compare a nearly spherical, doubly-magic 208 Pb nucleus to a triaxially deformed 129 Xe nucleus, emphasizing the sensitivity to initial-state geometry fluctuations arising from nuclear deformation. The dependence of these results (v n , n = 2 , 3 , 4 ) on the shape and size of the nuclear overlap region is studied. Comparisons between v 2 , v 3 , and v 4 demonstrate the importance of v 3 and v 4 in exploring the nonlinear hydrodynamic response of the quark-gluon plasma (QGP) to the initial spatial anisotropy. The results constrain initial-state model parameters that influence the evolution of the QGP. The CMS detector was used to collect XeXe and PbPb data at nucleon-nucleon center-of-mass energies of S N N = 5.44 and 5.36 TeV, respectively. Correlations are extracted using multiparticle mixed-harmonic cumulants (up to eight-particle cumulants) with charged particles in the pseudorapidity range |η| < 2.4 and transverse momentum range 0.5 < p T < 3 GeV/c.

CMS↗

NASA NTRS1976

Hygroscopic Properties of Magnetic Recording Tape

Relative humidity has been recognized as an important environmental factor in many head-tape interface phenomena such as headwear, friction, staining, and tape shed. Accordingly, the relative humidity is usually specified in many applications of tape use, especially when tape recorders are enclosed in hermetically sealed cases. Normally, the relative humidity is believed regulated by humidification of the fill gas to the specification relative humidity. This study demonstrates that the internal relative humidity in a sealed case is completely controlled by the time-dpendence of the hygroscopic properties of the pack of magnetic recording tape. Differences are found in the hygroscopic properties of the same brand of tape, which apparently result from aging, and which may have an effect on the long-term humidity-regulating behavior in a sealed case, and on the occurrence of head-tape interface phenomena from the long-term use of the tape. Results are presented on the basic hygroscopic properties of magnetic tape, its humidity-regulating behavior in a sealed case, and a theoretical commentary on the relative humidity dependence of head-wear by tape, is included.

Cuddihy, E. F.↗

NASA NTRS1976

Multiple-satellite studies of magnetospheric substorms - Radial dynamics of the plasma sheet

The radial dynamics of the nighttime plasma sheet during substorms is examined. The spatial dependence of plasma sheet variations at different radial distances is studied on the basis of simultaneous recordings from two closely spaced satellites. The simultaneous measurements of the plasma sheet behavior earthward and tailward of r = 15 earth radii confirm substorm models which predict a thinning of the near-earth plasma sheet before the formation of an X-type neutral line, followed by a thickening on the earthward side and a further thinning on the tailward side. Temporal correlations between the plasma sheet variations and substorm development on the ground are studied by obtaining accurate timing of individual substorm expansion onsets. In particular, during multiple onset storms, the near-earth plasma sheet is found to experience a series of multiple expansions and contractions, which usually occur in a one-to-one relationship with ground Pi 2 bursts and are well correlated with auroral zone and low-altitude magnetic disturbances.

Pytte, T.↗

NASA NTRS1989

Procedures for characterizing an alloy and predicting cyclic life with the total strain version of Strainrange Partitioning

Procedures are presented for characterizing an alloy and predicting cyclic life for isothermal and thermomechanical fatigue conditions by using the total strain version of strainrange partitioning (TS-SRP). Numerical examples are given. Two independent alloy characteristics are deemed important: failure behavior, as reflected by the inelastic strainrange versus cyclic life relations; and flow behavior, as indicated by the cyclic stress-strain-time response (i.e., the constitutive behavior). Failure behavior is characterized by conducting creep-fatigue tests in the strain regime, wherein the testing times are reasonably short and the inelastic strains are large enough to be determined accurately. At large strainranges, stress-hold, strain-limited tests are preferred because a high rate of creep damage per cycle is inherent in this type of test. At small strainranges, strain-hold cycles are more appropriate. Flow behavior is characterized by conducting tests wherein the specimen is usually cycled far short of failure and the wave shape is appropriate for the duty cycle of interest. In characterizing an alloy pure fatigue, or PP, failure tests are conducted first. Then depending on the needs of the analyst a series of creep-fatigue tests are conducted. As many of the three generic SRP cycles are featured as are required to characterize the influence of creep on fatigue life (i.e., CP, PC, and CC cycles, respectively, for tensile creep only, compressive creep only, and both tensile and compressive creep). Any mean stress effects on life also must be determined and accounted for when determining the SRP inelastic strainrange versus life relations for cycles featuring creep. This is particularly true for small strainranges. The life relations thus are established for a theoretical zero mean stress condition.

Saltsman, James F.↗