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NASA NTRS1988

Computational and experimental studies of LEBUs at high device Reynolds numbers

The present paper summarizes computational and experimental studies for large-eddy breakup devices (LEBUs). LEBU optimization (using a computational approach considering compressibility, Reynolds number, and the unsteadiness of the flow) and experiments with LEBUs at high Reynolds numbers in flight are discussed. The measurements include streamwise as well as spanwise distributions of local skin friction. The unsteady flows around the LEBU devices and far downstream are characterized by strain-gage measurements on the devices and hot-wire readings downstream. Computations are made with available time-averaged and quasi-stationary techniques to find suitable device profiles with minimum drag.

Bertelrud, Arild↗

NASA NTRS1988

Automated design of composite plates for improved damage tolerance

The present effort toward design automation for local damage tolerance in composite plates under compressive loading, simulating the local damage condition by a central, through-the-thickness crack-like notch, uses a micromechanical failure model for the fiber kink formation in the load-carrying layers. This accounts for the combined effects of compressive and shearing stresses around the notch. For stiffened plates, minimum-weight configurations are obtained where the crack is isolated in low stiffness plate regions.

Gurdal, Zafer↗

DOE OSTI2025

Dislocation-Grain Boundary Interaction Dataset for FCC Cu

Interactions between dislocations and grain boundaries play a major role in controlling the strength and ductility of structural materials. Experimentally, assessing and probing geometric and stress-based criteria at the local level for dislocation transmission through grain boundaries remains challenging. Therefore, there have been many efforts to systematically generate datasets of dislocation-grain boundary interactions (DGI) via computational models such as molecular dynamics simulations. So far, most DGI datasets have focused only on the subset of nominal minimum-energy grain boundary structures, which limits their applicability, especially to materials processed far from equilibrium. We present a comprehensive database of dislocation-grain boundary interactions for edge, screw, and 60° mixed dislocation with 330 <110> and 257 <112> symmetric tilt grain boundaries (total of 587) in FCC Cu consisting of 73 minimum-energy grain boundary structures and 514 metastable structures. The dataset contains the outcomes for 5234 unique interactions for various dislocation types, grain boundary structures, and applied shear stresses.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Interaction of the equatorial midnight pressure bulge and thermospheric zonal winds

The zonal component of the thermospheric neutral wind in the equatorial region is found to flow eastward all night, having a minimum near midnight. The data, obtained by Spencer et al. on the Dynamics Explorer-2 (DE-2) satellite, and reported more recently by Wharton et al., indicate that the minimum feature is significant. The minimum is illustrated by a 4th order Fourier series fit to the data points reported by Wharton et al. A table gives the amplitudes and phases of the four harmonic components used with the estimated error for each amplitude. It is asked whether this behavior is due to the local passage of the equatorial midnight pressure bulge associated with the midnight temperature anomaly. If so, it is to be expected that other data characterizing the midnight temperature anomaly should show consistency with this observation, especially in view of the large changes observed in the zonal velocity in the midnight sector. Consistency in momentum conservation may be checked using available data from previous independent experiments. Such data, taken under similar conditions of solar activity, was substituted into the momentum equation and found to be consistent using a priori estimates of the effect of viscosity.

Herrero, F. A.↗

NASA NTRS2011

On-Orbit Spatial Characterization of MODIS with ASTER Aboard the Terra Spacecraft

This letter presents a novel approach for on-orbit characterization of MODerate resolution Imaging Spectroradiometer (MODIS) band-to-band registration (BBR) using Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER) aboard the Terra spacecraft. The spatial resolution of ASTER spectral bands is much higher than that of MODIS, making it feasible to characterize MODIS on-orbit BBR using their simultaneous observations. The ground target selected for on-orbit MODIS BBR characterization in this letter is a water body, which is a uniform scene with high signal contrast relative to its neighbor areas. A key step of this approach is to accurately localize the measurements of each MODIS band in an ASTER measurement plane coordinate (AMPC). The ASTER measurements are first interpolated and aggregated to simulate the measurements of each MODIS band. The best measurement match between ASTER and each MODIS band is obtained when the measurement difference reaches its weighted minimum. The position of each MODIS band in the AMPC is then used to calculate the BBR. The results are compared with those derived from MODIS onboard Spectro-Radiometric Calibration Assembly. They are in good agreement, generally less than 0.1 MODIS pixel. This approach is useful for other sensors without onboard spatial characterization capability. Index Terms Advanced Spaceborne Thermal Emission and Reflection Radiometer (ASTER), band-to-band registration (BBR), MODerate resolution Imaging Spectroradiometer (MODIS), spatial characterization.

Xie, Yong↗

NASA NTRS2002

An Overview of the Earth Observing System Moderate Resolution Imaging Spectroradiometer (MODIS) Data Products Status and Availability for Environmental Applications and Global Change Studies

The Moderate Resolution Imaging Spectroradiometer (MODIS) on the Earth Observing System (EOS) Terra Mission began to produce data in February 2000. The Terra MODIS is in a sun-synchronous orbit going north to south in the daylight portion of the orbit crossing the equator at about 1030 hours local time. The spacecraft, instrument, and data systems are performing well and are producing a wide variety of data products useful for scientific and applications studies in relatively consistent fashion extending from November 2000 to the present. Within the approximately 40 MODIS data products, several are new and represent powerful and exciting capabilities such the ability to provide observations over the globe of fire occurrences, microphysical properties of clouds and sun-stimulated fluorescence from phytoplankton in the surface waters of the ocean. The remainder of the MODIS products exceed or, at a minimum, match the capabilities of products from heritage sensors such as, for example, the Advanced Very High Resolution Radiometer (AVHRR). Efforts are underway to provide data sets for the greater Earth science community and to improve access to these products at the various Distributed Active Archive Centers (DAAC's) or through Direct Broadcast (DB) stations. The MODIS instrument on the EOS Aqua mission should also be expected to be in orbit and functioning in the Spring of 2002. The Aqua spacecraft will operate in a sun-synchronous orbit going south to north in the daylight portion of the orbit crossing the equator at approximately 1330 hours local time. Subsequently the Aqua MODIS observations will substantially add to the capabilities of the Terra MODIS for environmental applications and global change studies.

Salomonson, Vincent V.↗

DOE OSTI2021

A numerical and experimental approach to compare the effect of sample thickness in small in-situ SEM and large ex-situ tensile testing in Alloy 709

ASTM standards for tensile tests define specific sample size requirements regardless of grain size of the material. However, sample size requirements for testing should be considered in conjunction with the number of grains within its reduced cross-sectional area. This is particularly important for in-situ Scanning Electron Microscope (SEM) tensile tests, as they have to be conducted on smaller samples. In this study, a comprehensive experimental and numerical evaluation of the effect of specimen thickness (and the resulting number of grains within the cross-section) were conducted using in-situ SEM tensile test (on submillimeter thick samples) and ex-situ tensile tests (on samples of 0.68–5.9 mm thickness) and the results are compared with FEM simulations outcome. All tests were conducted at room temperature and the results are correlated to the number of grains within the thickness of specimens. The tensile test results indicated that even though the 0.2% proof stress and the tensile strength do not vary for the current range of thicknesses (with number of grains in the cross-section varying from 13 to 118), a difference in necking mechanism exists. Post tensile strength, thinner samples undergo more shear failure and diagonal localized necking whereas thicker samples experience more diffuse necking indicated by decreased area of shear failure at the edges and increased area of dimpled tensile failure at the center of the sample. Further, FEM results complement the experimental findings by showing the formation of conjugated localized shear bands on the upper and lower surface in the 0.68 mm thick sample and shear bands combining to form singular shear bands in thicker samples. These results also confirm the validity of the in-situ SEM tensile tests conducted on thinner samples as long as the required minimum number of grains exist within the cross-section.

36 MATERIALS SCIENCE↗

NASA NTRS1995

Proton affinity determinations and proton-bound dimer structure indications in C2 to C15, (alpha),(omega)-alkyldiamines

The 'kinetic method' was used to determine the proton affinity (PA) of a,coalkyldiamines from collision induced dissociation (CID) studies of protonated heterodimers. These PA values were consistently lower than those reported in the proton affinity scale. The apparent discrepancy was rationalized in terms of differences in the conformation of the protonated diamine monomers. The minimum energy species, formed by equilibrium proton transfer processes, have a cyclic conformation and the ion charge is shared by both amino-groups which are bridged by the proton. On the other hand, the species formed through dissociation of protonated dimers have a linear structure and the charge is localized on one of the amino-groups. Thus, the difference in the PA values obtained by both methods is a measure of the additional stability acquired by the protonated diamines through cyclization and charge delocalization. The major collision dissociation pathway of the protonated diamine monomers involved elimination of an ammonia moiety. Other reactions observed included loss of the second amino-group and several other bond cleavages. CID of the protonated dimers involved primarily formation of a protonated monomer through cleavage of the weaker hydrogen bond and subsequently loss of ammonia at higher collision energies. As observed from the CID studies, doubly charged ions were also formed from the diamines under conditions of the electrospray ionization.

Karpas, Z.↗

NASA NTRS1993

Hot bubbles in a magnetic interstellar medium - Another look at the soft X-ray background

An attempt is made to understand the origin and properties of an isolated local bubble of hot gas using models of explosive events in a magnetic interstellar medium which mimic the local bubble in terms of the C band X-ray surface brightness and radius. The residual bubble of hot gas reaches a maximum size with an internal pressure below ambient, and then shrinks to smaller volume and a pressure nearly equal to ambient. The X-ray brightness reaches its minimum at the time of maximum radius and rises thereafter. It is found that the bubble growth must have been confined by a probably unacceptably large external pressure in order for the hot gas in the maximally extended cavity to radiate at a rate like that observed in the soft X-ray background.

Edgar, Richard J.↗

NASA NTRS2003

Biomaterials and Magnetic fields for Cancer Therapy

The field of biomaterials has emerged as an important topic in the purview of NASA s new vision of research activities in the Microgravity Research Division. Although this area has an extensive track record in the medical field as borne out by the routine use of polymeric sutures, implant devices, and prosthetics, novel applications such as tissue engineering, artificial heart valves and controlled drug delivery are beginning to be developed. Besides the medical field, biomaterials and bio-inspired technologies are finding use in a host of emerging interdisciplinary fields such as self-healing and self-assembling structures, biosensors, fuel systems etc. The field of magnetic fluid technology has several potential applications in medicine. One of the emerging fields is the area of controlled drug delivery, which has seen its evolution from the basic oral delivery system to pulmonary to transdermal to direct inoculations. In cancer treatment by chemotherapy for example, targeted and controlled drug delivery has received vast scrutiny and substantial research and development effort, due to the high potency of the drugs involved and the resulting requirement to keep the exposure of the drugs to surrounding healthy tissue to a minimum. The use of magnetic particles in conjunction with a static magnetic field allows smart targeting and retention of the particles at a desired site within the body with the material transport provided by blood perfusion. Once so located, the therapeutical aspect (radiation, chemotherapy, hyperthermia, etc.) of the treatment, now highly localized, can be implemented.

Ramachandran, Narayanan↗

NASA NTRS2018

The Use of MERRA-2 Near Surface Meteorology to Understand the Behavior of Planetary Boundary Layer Heights Derived from Wind Profiler Data over the US Great Plains

The atmospheric general circulation model (GCM) that underlies the MERRA-2 reanalysis includes a suite of physical parameterizations that describe the processes that occur in the planetary boundary layer (PBL). The data assimilation system assures that the atmospheric state variables used as input to these parameterizations are constrained to the best fit to all of the available observations. Many studies, however, have shown that the GCM-based estimates of MERRA-2 PBL heights are biased high, and so are not reliable for boundary layer studies.A 20-year record of PBL heights was derived from Wind Profiler (WP) backscatter data measured at a wide network of stations throughout the US Great Plains and has been validated against independent estimates. The behavior of these PBL heights shows geographical and temporal variations that are difficult to attribute to particular physical processes without additional information that are not part of the observational record.In the present study, we use information on physical processes from MERRA-2 to understand the behavior of the WP derived PBL heights. The behavior of the annual cycle of both MERRA-2 and WP PBL heights shows four classes of behavior: (i) canonical, characterized by a monthly progression in PBL height that follows the solar insolation, (ii) double peak, characterized by canonical behavior that is interrupted by a minimum in July, (iii) late peak, characterized by a suppressed heights in May and June, and return to canonical in July and August, and (iv) early peak where the PBL height rises with solar insolation but is suppressed later in the summer. The explanation for these behaviors and the relationship to local precipitation, temperature, sensible and latent heat fluxes, net radiation and aerosol load is articulated using information from MERRA-2.

Salmun, Haydee↗

NASA NTRSDate not supplied

Effect of anisotropic mesh adaptation on surface pressure predictions for atmospheric entry simulations.

Recently, a metric-based mesh adaptation capability has been developed for the advanced compressible flow solver US3D. Metric-based mesh adaptation is a solution informed mesh adaptation strategy that typically improves the resolution of the mesh along anisotropic flow features, like strong shock waves or shear layers. An anisotropic error indicator is reconstructed based on a provided Computational Fluid Dynamics (CFD) solution which prescribes the locally desired element size and orientation. The benefits of this mesh adaptation strategy is twofold: first, it simplifies the manual meshing labor that typically needs to be carried out by the CFD engineer because the mesh adaptation is informed by the provided solution. Second, the computational cost is kept to a minimum while improving the resolution of the simulation. The aim here is to demonstrate how anisotropic mesh adaptation can be employed to improve the predictions of surface pressure for atmospheric entry vehicles. In this work, we compare CFD simulations that use this newly developed anisotropic mesh adaptation capability for US3D with pressure data that was collected by Mars Entry, Descent, and Landing Instrumentation 2 (MEDLI2) during the atmospheric entry phase of Mars2020.

D. Ekelschot↗

NASA NTRSDate not supplied

Effect of Anisotropic Mesh Adaptation on Surface Pressure Predictions for Atmospheric Entry Simulations

A metric-based mesh adaptation capability has been developed for the advanced compressible flow solver US3D. Metric-based mesh adaptation is a solution informed mesh adaptation strategy that improves the resolution of the mesh along anisotropic flow features, like strong shock waves or shear layers. An anisotropic error indicator is reconstructed based on a provided Computational Fluid Dynamics (CFD) solution which prescribes the locally desired element size and orientation. The benefits of this mesh adaptation strategy is twofold: first, it simplifies the manual meshing labor that typically needs to be carried out by the CFD engineer because the mesh adaptation is informed by the provided solution. Second, the computational cost is kept to a minimum while improving the resolution of the simulation. The aim here is to demonstrate how anisotropic mesh adaptation can be employed to improve the predictions of surface pressure for atmospheric entry vehicles. In this work, we compare CFD simulations that use this newly developed anisotropic mesh adaptation capability for US3D with pressure data that was collected by Mars Entry, Descent, and Landing Instrumentation (MEDLI2) suite.

Dirk Ekelschot↗

NASA NTRS2024

Solar FTIR Measurements of NOx Vertical Distributions – Part 2: Experiment-Based Scaling Factors Describing the Daytime Variation in Stratospheric NOx

Long-term experimental stratospheric NO2 and NO partial columns measured by means of solar Fourier-transform infrared (FTIR) spectrometry at Zugspitze (47.42° N, 10.98° E; 2964 m a.s.l.), Germany, were used to create a set of experiment-based monthly scaling factors (SFexp). The underlying data set is published in a companion paper (Nürnberg et al., 2024) and comprises over 25 years of measurements depicting the daytime variability of stratospheric NO2 and NO partial columns with respect to local solar time (LST). In accordance with simulation-based scaling factors recently published by Strode et al. (2022), we created SFexp normalized to SZA =72° for NO2 and NO for every month of the year as a function of solar zenith angle (SZA). Apart from a boundary value problem at minimum SZA values originating from averaging over different times of the month, the obtained scaling factors SFexp(NO2) and SFexp(NO) as a function of SZA represent the daytime behavior already shown in model simulations and experiments in the literature very well. This shows a well-pronounced increase in the NO2 and NO stratospheric partial column with the time of the day and a flattening of this increase after noon. In addition to the discussion of SFexp, we validate the simulation-based scaling factors SFsim(NO2) (Strode et al., 2022) and present simulation-based scaling factors for NO SFsim(NO). The simulation-based scaling factors show excellent agreement with the experiment-based ones; i.e., for NO2 and NO the mean value of the modulus between the experiment and simulation over all SZAs and months is only 0.02 %. We show that recently used model simulations can describe the real behavior of nitrogen oxide (NOx) variability in the stratosphere very well. Furthermore, we conclude that ground-based FTIR measurements can be used for validation of the output of photochemistry models and for creating experiment-based data sets describing the daytime stratospheric NOx variability as a function of SZA. This is a contribution to improved satellite validation and a better understanding of stratospheric photochemistry.

FTIR, nitrogen oxides, diurnal variability↗

NASA NTRS1973

Electron avalanche structure determined by random walk theory

A self-consistent avalanche solution which accounts for collective long range Coulomb interactions as well as short range elastic and inelastic collisions between electrons and background atoms is made possible by a random walk technique. Results show that the electric field patterns in the early formation stages of avalanches in helium are close to those obtained from theory based on constant transport coefficients. Regions of maximum and minimum induced electrostatic potential phi are located on the axis of symmetry and within the volume covered by the electron swarm. As formation time continues, however, the region of minimum phi moves to slightly higher radii and the electric field between the extrema becomes somewhat erratic. In the intermediate formation periods the avalanche growth is slightly retarded by the high concentration of ions in the tail which oppose the external electric field. Eventually the formation of ions and electrons in the localized regions of high field strength more than offset this effect causing a very abrupt increase in avalanche growth.

Englert, G. W.↗

DOE OSTI2021

A high-pressure Raman study of FeTiO 3 ilmenite: Fermi resonance as a manifestation of Fe-Ti charge transfer

In this work, we investigated the 300 K high-pressure behavior of ilmenite using Raman spectroscopy to 54 GPa. Upon compression, we observe a Fermi resonance between the lowest frequency A g symmetry peaks (ν 4 and ν 5 ) between ~ 10 and ~ 30 GPa: bands that involve major components of Ti–O and Fe–O-related displacements, respectively. The peaks’ relative intensities switch at ~ 18 GPa and they also reach their minimum separation at ~ 20 GPa, indicating that their maximum resonance occurs between 18 and 20 GPa. The negative shift of the Ti–O-associated ν 4 vibration under compression is fully consistent with a shift in valence of Ti from 4 + to 3 + under compression. Anomalously small mode shifts of other, more localized vibrations are also consistent with a charge transfer from Fe to Ti under compression. At higher pressures, we have not found definitive evidence for a transition to the perovskite-structure at 300 K, which has been well characterized at high pressures and temperatures. At 40 GPa, we observe an apparent reversible disordering that persists up to our highest pressure. The 300 K mode shifts of the Raman active modes in FeTiO 3 under pressure are notably different from those of other ABO 3 compounds (where A = Mg, Mn and B = Ti, Si); in other ilmenite-structured compounds, the peaks shift at a faster rate and there has not been any observation of Fermi resonance. Thus, iron’s complex electronic structure, and its charge transfer with titanium, appears to play a primary role in the behavior of phonons in FeTiO 3 ilmenite.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2022

On the energy landscape of symmetric quantum signal processing

Symmetric quantum signal processing provides a parameterized representation of a real polynomial, which can be translated into an efficient quantum circuit for performing a wide range of computational tasks on quantum computers. For a given polynomial f , the parameters (called phase factors) can be obtained by solving an optimization problem. However, the cost function is non-convex, and has a very complex energy landscape with numerous global and local minima. It is therefore surprising that the solution can be robustly obtained in practice, starting from a fixed initial guess Φ 0 that contains no information of the input polynomial. To investigate this phenomenon, we first explicitly characterize all the global minima of the cost function. We then prove that one particular global minimum (called the maximal solution) belongs to a neighborhood of Φ 0 , on which the cost function is strongly convex under the condition ‖ f ‖ ∞ = O ( d − 1 ) with d = d e g ( f ) . Our result provides a partial explanation of the aforementioned success of optimization algorithms.

Wang, Jiasu↗

NASA NTRS1973

Optimization of structures to satisfy a flutter velocity constraint by use of quadratic equation fitting

Using the first and the second derivative of flutter velocity with respect to the parameters, the velocity hypersurface is made quadratic. This greatly simplifies the numerical procedure developed for determining the values of the design parameters such that a specified flutter velocity constraint is satisfied and the total structural mass is near a relative minimum. A search procedure is presented utilizing two gradient search methods and a gradient projection method. The procedure is applied to the design of a box beam, using finite-element representation. The results indicate that the procedure developed yields substantial design improvement satisfying the specified constraint and does converge to near a local optimum.

Motiwalla, S. K.↗