SEARCH · Engineering Papers

Results for “reduced basis method”

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.

SourceResearch connectionFrom yearThrough year

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 505 records · Page 28

All sources NASA NTRS DOE OSTI

DOE OSTI2025

2025 ASMS Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS

Title (20 words): Investigation of the Collision-Induced Dissociation Mechanism of Protonated TODGA with IRIS Introduction (120 words): One of the challenges facing wide-spread adoption of nuclear power is the development of efficient separation processes for used nuclear fuel. The molecules in separation processes are subjected to an extreme environment due to the high radiation fields from the used fuel and highly acidic media used for fuel dissolution, which results in significant molecular degradation, leading to reduced process efficiency. These degradation products must be identified and studied so mitigation strategies can be developed to maintain process efficiency. However, complex systems can have many degradation products, complicating identification. Untargeted analysis tools could be used to understand radiation chemistry in complex systems. However, this would necessitate improved understanding of the gas-phase fragmentation mechanisms of fuel cycle molecules like tetraoctyldiglycolamide (TODGA). Methods (120 words): The gas-phase fragmentation of protonated TODGA was investigated using collision-induced dissociation (CID), resonance ejection, and infrared ion spectroscopy (IRIS). CID and resonance ejection experiments were conducted using a Bruker Daltonics (Bremen, Gemany) SolariX XR fourier transform ion cyclotron resonance (FT-ICR) mass spectrometer. IRIS spectra of protonated TODGA and its two CID fragmentation products were measured using a modified Bruker amaZon Speed ETD 3D quadrupole ion trap mass spectrometer coupled to the Free Electron Lasers for Infrared eXperiments (FELIX) free electron laser. Measured spectra were compared with density functional theory (DFT) calculations using the Gaussian 16, Revision C.02 software package with the ?B97X-D functional and def2-TZVPP basis sets. Candidate structures were generated using the CREST 3.0 conformational sampling software tool. Preliminary Data (300 words): Collision-induced dissociation of protonated TODGA ([C36H73N2O3]+, m/z=581.562) results two fragment ions, one at m/z=340.285 assigned as [C20H38NO3]+ and the other at m/z=312.290, assigned as [C19H38NO2]+. Based on the assigned formula and the structure of protonated TODGA, the fragment at m/z=340.285 is likely formed from elimination of neutral dioctylamine. Comparison of the IRIS spectrum of m/z=340.285 with DFT predictions suggests it contains a ring structure, and is assigned as N-octyl-N-(6-oxo-1,4-dioxan-2-ylidene)octan-1-aminium. Based on this structure and the structure of protonated TODGA, we hypothesize this fragment formed from elimination of neutral dioctylamine followed by a ring closure mechanism. Comparison of the IRIS spectrum of the fragment at m/z=312.290 with DFT predictions also indicated the presence of a ring structure, assigned as N-(1,3-dioxolan-4-ylidene)-N-octyloctan-1-aminium. This product could be formed from elimination of carbon monoxide from the ring of m/z=340.285 as a sequential fragmentation or formed directly from protonated TODGA via elimination of neutral N,N-dioctylformamide followed by a ring closure. Resonance ejection experiments where m/z=340 was continuously ejected from the IRC cell showed no decrease in intensity of m/z=312.290 across several collision energies, suggesting that the later, direct formation mechanism, dominates. The location of the ionizing proton in protonated TODGA is important for modeling the fragmentation mechanisms. DFT calculations suggested that the position of bands involving the coupled vibrations of the amide C—N and C=O bonds in TODGA are the most sensitive to proton location. Evaluation of the IRIS spectrum of protonated TODGA suggests that the ionizing proton is located between the two amid oxygens. This protonation location was calculated to lie approximately 30 kJ/mol lower in energy than the next lowest energy location, with the proton located solely on one of the amide oxygens. Novel aspect (20 words): Infrared ion spectroscopy combined with resonance ejection experiments and density functional theory to probe the collision-induced dissociation mechanism of tetraoctyldiglycolamide.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

NASA NTRS1991

Mechanical response tissue analyzer for estimating bone strength

One of the major concerns for extended space flight is weakness of the long bones of the legs, composed primarily of cortical bone, that functions to provide mechanical support. The strength of cortical bone is due to its complex structure, described simplistically as cylinders of parallel osteons composed of layers of mineralized collagen. The reduced mechanical stresses during space flight or immobilization of bone on Earth reduces the mineral content, and changes the components of its matrix and structure so that its strength is reduced. Currently, the established clinical measures of bone strength are indirect. The measures are based on determinations of mineral density by means of radiography, photon absorptiometry, and quantitative computer tomography. While the mineral content of bone is essential to its strength, there is growing awareness of the limitations of the measurement as the sole predictor of fracture risk in metabolic bone diseases, especially limitations of the measurement as the sole predictor of fracture risk in metabolic bone diseases, especially osteoporosis. Other experimental methods in clinical trials that more directly evaluate the physical properties of bone, and do not require exposure to radiation, include ultrasound, acoustic emission, and low-frequency mechanical vibration. The last method can be considered a direct measure of the functional capacity of a long bone since it quantifies the mechanical response to a stimulus delivered directly to the bone. A low frequency vibration induces a response (impedance) curve with a minimum at the resonant frequency, that a few investigators use for the evaluation of the bone. An alternative approach, the method under consideration, is to use the response curve as the basis for determination of the bone bending stiffness EI (E is the intrinsic material property and I is the cross-sectional moment of inertia) and mass, fundamental mechanical properties of bone.

Arnaud, Sara B.↗

NASA NTRS2013

Commercial Non-Dispersive Infrared Spectroscopy Sensors for Sub-Ambient Carbon Dioxide Detection

Carbon dioxide produced through respiration can accumulate rapidly within closed spaces. If not managed, a crew's respiratory rate increases, headaches and hyperventilation occur, vision and hearing are affected, and cognitive abilities decrease. Consequently, development continues on a number of CO2 removal technologies for human spacecraft and spacesuits. Terrestrially, technology development requires precise performance characterization to qualify promising air revitalization equipment. On-orbit, instrumentation is required to identify and eliminate unsafe conditions. This necessitates accurate in situ CO2 detection. Recursive compensation algorithms were developed for sub-ambient detection of CO2 with commercial off-the-shelf (COTS) non-dispersive infrared (NDIR) sensors. In addition, the source of the exponential loss in accuracy is developed theoretically. The basis of the loss can be explained through thermal, Doppler, and Lorentz broadening effects that arise as a result of the temperature, pressure, and composition of the gas mixture under analysis. The objective was to develop a mathematical routine to compensate COTS CO2 sensors relying on NDIR over pressures, temperatures, and compositions far from calibration conditions. The routine relies on a power-law relationship for the pressure dependency of the sensors along with an equivalent pressure to account for the composition dependency. A Newton-Raphson iterative technique solves for actual carbon dioxide concentration based on the reported concentration. Moreover, first principles routines were established to predict mixed-gas spectra based on sensor specifications (e.g., optical path length). The first principles model can be used to parametrically optimize sensors or sensor arrays across a wide variety of pressures/temperatures/ compositions. In this work, heuristic scaling arguments were utilized to develop reasonable compensation techniques. Experimental results confirmed this approach and provided evidence that composition broadening significantly alters spectra when pressure is reduced. Consequently, a recursive compensation technique was developed with the Newton-Raphson method, which was subsequently verified through experimentation.

Swickrath, Michael J.↗

NASA NTRSDate not supplied

The Completion of a Geosynchronous Earth Orbit Survey with the Eugene Stansbery-Meter Class Autonomous Telescope

The Eugene Stansbery-Meter Class Autonomous Telescope (ES-MCAT) is the primary optical sensor used by the NASA Orbital Debris Program Office (ODPO) to statistically characterize the geosynchronous Earth orbit (GEO) debris environment and support future Orbital Debris Engineering Model (ORDEM) releases. The ES-MCAT completed its first optical survey of the GEO region from 2020 to 2022. The primary goal of this survey was to autonomously collect and process GEO data with calculated photometric and astrometric uncertainties. A pointing plan was developed to provide uniform sampling within the region of interest (ROI) while accounting for predicted downtime due to insufficient observing conditions. Detections are autonomously correlated to the Space Surveillance Network (SSN) catalog to determine if objects are correlated targets (CTs) or uncorrelated targets (UCTs), the latter of which are of interest for modeling the GEO orbital debris environment. To assess the size detection sensitivity over time and monitor the general performance of the telescope’s optics and software, the optical throughput of the system and limiting magnitudes are evaluated on a routine basis. While the telescope’s ability to operate autonomously and remotely allowed for the GEO survey to continue throughout the COVID-19 pandemic, travel restrictions hampered routine cleaning of the optics during this time, and the primary mirror degraded enough to require recoating. The mirror was removed in 2022, concluding the first GEO survey. The primary mirror received a new coating designed to be more robust against the harsh environment surrounding the ES-MCAT’s location on Ascension Island, accounting for experience gained during operations over the first GEO survey. In early 2023, the recoated primary mirror was reinstalled, and the second GEO survey was initiated. The primary goal of the second GEO survey is to characterize the evolving GEO debris environment with updated optics, software, and pointing strategies while allowing for the inclusion of non-GEO regimes or those that are outside of the ROI. While the pointing method implemented in the first survey allowed for adequate coverage of the ROI over two years, it has been improved to include pointings that avoid the Moon’s position and the galactic plane to reduce software processing time and maximize the detection capabilities of fainter objects. This method also accounts for the changing weather patterns throughout the year and reduces coverage gaps in the ROI. Provided the success of the first two-year GEO survey using autonomous operations, the ODPO is actively collaborating with the United States Space Force (USSF) to make the ES-MCAT a contributing sensor to the SSN. This paper presents results from the first GEO survey including magnitude distributions and orbital parameters for CTs and UCTs. Details are provided for the automated processing pipeline and the optical system throughput for the previous and current primary mirror coatings. In addition, an updated strategy for the second GEO survey to optimize coverage over the ROI is discussed, as are preliminary results from the ongoing second survey.

Corbin Cruz↗

NASA NTRSDate not supplied

The Completion of a Geosynchronous Earth Orbit Survey with the Eugene Stansbery-Meter Class Autonomous Telescope

Corbin Cruz↗

DOE OSTI2024

An Orbital Basis Set for Double Photoionization of Atoms and Molecules

The ab initio theoretical treatment of one-photon double photoionization processes has been limited to atoms and diatomic molecules by the challenges posed by large grid-based representations of the double ionized continuum wave function. To provide a path for extensions to polyatomics, an energy-adapted orbital basis approach is demonstrated that reduces the dimensions of such representations and simultaneously allows larger time steps in time-dependent computational descriptions of double ionization. Additionally, an algorithm that exploits the diagonal nature of the two-electron integrals in the grid basis and dramatically accelerates the transformation between grid and orbital representations is presented. Excellent agreement between the present results and benchmark theoretical calculations is found for H – and Be atoms, as well as the hydrogen molecule, including for the triply differential cross sections that relate the angular distribution and energy sharing of all of the particles in the molecular frame.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2010

Implications of Microwave Holography Using Minimum Required Frequency Samples for Weakly- and Strongly-Scattering Indications

Microwave imaging techniques, an integral component of nondestructive testing and evaluation (NDTE), have received significant attention in the past decade. These techniques have included the implementation of synthetic aperture focusing (SAF) algorithms for obtaining high spatial resolution images. The next important step in these developments is the implementation of 3-D holographic imaging algorithms. These are well-known wideband imaging technique requiring a swept-frequency (i.e., wideband), which unlike SAF that is a single frequency technique, are not easily performed on a real-time basis. This is due to the fact that a significant number of data points (in the frequency domain) must be obtained within the frequency band of interest. This not only makes for a complex imaging system design, it also significantly increases the image-production time. Consequently in an attempt to reduce the measurement time and system complexity, an investigation was conducted to determine the minimum required number of frequency samples needed to image a specific object while preserving a desired maximum measurement range and range resolution. To this end the 3-D holographic algorithm was modified to use properlyinterpolated frequency data. Measurements of the complex reflection coefficient for several samples were conducted using a swept-frequency approach. Subsequently, holographical images were generated using data containing a relatively large number of frequency samples and were compared with images generated by the reduced data set data. Quantitative metrics such as average, contrast, and signal-to-noise ratio were used to evaluate the quality of images generated using reduced data sets. Furthermore, this approach was applied to both weakly- and strongly-scattering indications. This paper presents the methods used and the results of this investigation.

Fallahpour, M.↗

NASA NTRS2011

Superpixel-Augmented Endmember Detection for Hyperspectral Images

Superpixels are homogeneous image regions comprised of several contiguous pixels. They are produced by shattering the image into contiguous, homogeneous regions that each cover between 20 and 100 image pixels. The segmentation aims for a many-to-one mapping from superpixels to image features; each image feature could contain several superpixels, but each superpixel occupies no more than one image feature. This conservative segmentation is relatively easy to automate in a robust fashion. Superpixel processing is related to the more general idea of improving hyperspectral analysis through spatial constraints, which can recognize subtle features at or below the level of noise by exploiting the fact that their spectral signatures are found in neighboring pixels. Recent work has explored spatial constraints for endmember extraction, showing significant advantages over techniques that ignore pixels relative positions. Methods such as AMEE (automated morphological endmember extraction) express spatial influence using fixed isometric relationships a local square window or Euclidean distance in pixel coordinates. In other words, two pixels covariances are based on their spatial proximity, but are independent of their absolute location in the scene. These isometric spatial constraints are most appropriate when spectral variation is smooth and constant over the image. Superpixels are simple to implement, efficient to compute, and are empirically effective. They can be used as a preprocessing step with any desired endmember extraction technique. Superpixels also have a solid theoretical basis in the hyperspectral linear mixing model, making them a principled approach for improving endmember extraction. Unlike existing approaches, superpixels can accommodate non-isometric covariance between image pixels (characteristic of discrete image features separated by step discontinuities). These kinds of image features are common in natural scenes. Analysts can substitute superpixels for image pixels during endmember analysis that leverages the spatial contiguity of scene features to enhance subtle spectral features. Superpixels define populations of image pixels that are independent samples from each image feature, permitting robust estimation of spectral properties, and reducing measurement noise in proportion to the area of the superpixel. This permits improved endmember extraction, and enables automated search for novel and constituent minerals in very noisy, hyperspatial images. This innovation begins with a graph-based segmentation based on the work of Felzenszwalb et al., but then expands their approach to the hyperspectral image domain with a Euclidean distance metric. Then, the mean spectrum of each segment is computed, and the resulting data cloud is used as input into sequential maximum angle convex cone (SMACC) endmember extraction.

Thompson, David R.↗

DOE OSTI2022

Carburization and decarburization behavior of Grade 91 ferritic-martensitic steel in liquid sodium environments

Here, this paper presents a study of carbon transfer and its effect on microstructure and tensile properties of Grade 91 (G91) ferritic-martensitic steel exposed to sodium at 550–650 °C. Sodium exposure tests were conducted in Argonne's forced convection sodium loops up to exposure times of ~40,000 h. Thermal aging study of G91 steel was conducted in parallel to isolate the thermal aging effect from the sodium effect. It was found that sodium exposures at 650 °C dissolved M 23 C 6 carbides, eliminated the martensite subgrain structure resulting in excessive grain growth and reduced the tensile strength by >50%, while sodium exposures at 550 and 600 °C had an insignificant effect on its microstructure and tensile properties. These effects were attributed to the carburization/decarburization process of G91 steel in sodium environments. Carbon concentrations in sodium were determined by a foil equilibration method. The estimated carbon concentration was in the range of 0.8–1.2 ppm in the SMT-1 loop and 0.3–0.7 ppm in the SMT-2 loop. Thermodynamic analysis of the carburization – decarburization process was conducted for G91 steels exposed in sodium environments. The carbon activity-concentration relationship for G91 was evaluated by considering four phases in G91, i.e. bcc ferrite, M 23 C 6 , NbC and VC carbides. It was found that the carburization-decarburization process in G91 steel was dictated by M 23 C 6 carbides at high carbon activities, while NbC and VC carbides dominated the process at low carbon activities. The calculated carburization-decarburization boundary showed that G91 would undergo decarburization at 650 °C and carburization at 550 °C in the sodium loop environments, which was consistent with our experimental observations. This experimental and theoretical analysis provided a basis for predicting the effect of carbon transfer on the integrity of reactor components in sodium environments and for the design of new alloys used in sodium-cooled fast reactors.

36 MATERIALS SCIENCE↗

DOE OSTI2020

Holographic wavefront sensors

A brief historical review of the first designs of holographic wavefront sensors (WFS’s) and the concepts lying in their basis is presented. The main directions in the development of these sensors are highlighted and considered. One of these directions implies a two-stage transition from the use of several separate measuring channels with holograms filtering only one Zernike mode: first to the use of one channel with a multiplexed hologram filtering several first Zernike modes, and then to filtering the entire set of Zernike modes with the aid of one combined multiplexed hologram. Another line of research in this field (related to the first one) is the optimisation of the filter hologram structure in order to reduce cross-modulation interferences, increase multiplexing level, etc. One more line of research implements principles of dynamic holography by introducing spatial light modulators into the WFS composition. Hence, the advantages of time multiplexing of holograms can be used. The approach developed by G. Andersen’s team, aimed at adapting the holographic WFS design for operation as an element of adaptive optical system with a zonal corrector, as well as an approach implying development of hybrid holographic sensors, are considered separately. The results of the authors’ studies of holographic WFS’s with application of the methods of Fourier holography (i.e., holography of focused beams, in particular, using diffuse scatterers in a hologram recording channel) are also reported. (paper)

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2026

Quantifying uncertainty in physics-based predictions of rare-isotope production cross sections via Bayesian-inspired model averaging across nuclear mass tables

Accurate prediction of fragmentation cross sections is essential for rare-isotope beam production, planning new-isotope searches, and designing experiments to study the most exotic regions of the nuclear chart. However, existing reaction models and phenomenological cross-section parametrizations often exhibit significant deviations over broad regions of mass and charge. In this work, a Bayesian-inspired model-averaging framework is developed to combine abrasion-ablation (AA) calculations based on multiple nuclear mass tables into a single statistically weighted estimate. For the calibrated systems, the model weights are assigned empirically according to the relative quality of fit to measured cross sections, thereby reducing systematic model bias while preserving the underlying physics content of the AA description. The weights are constrained using proton-rich fragmentation data for the 78 Kr and 124 Xe projectiles. The resulting parameter trends are then propagated to the 92 Mo and 144 Sm systems through a controlled scaling procedure. In the present implementation, the excitation-energy prescription is fixed, while the averaging is performed across nuclear-mass inputs; the framework provides both weighted cross sections and associated uncertainty estimates. Applied to proton-rich fragmentation, the present approach provides a practical basis for interpolation and limited extrapolation in regions relevant to rare-isotope production. The resulting predictions are used to assess the production of very proton-rich nuclei, and candidate new isotopes are discussed.

Bayesian methods↗

DOE OSTI2024

Relativistic Douglas–Kroll–Hess calculations of hyperfine interactions within first-principles multireference methods

A relativistic magnetic hyperfine interaction Hamiltonian based on the Douglas–Kroll–Hess (DKH) theory up to the second order is implemented within the ab initio multireference methods, including spin–orbit coupling in the Molcas/OpenMolcas package. This implementation is applied to calculate relativistic hyperfine coupling (HFC) parameters for atomic systems and diatomic radicals with valence s or d orbitals by systematically varying active space size in the restricted active space self-consistent field formalism with restricted active space state interaction for spin–orbit coupling. The DKH relativistic treatment of the hyperfine interaction reduces the Fermi contact contribution to the HFC due to the presence of kinetic factors that regularize the singularity of the Dirac delta function in the nonrelativistic Fermi contact operator. This effect is more prominent for heavier nuclei. As the active space size increases, the relativistic correction of the Fermi contact contribution converges well to the experimental data for light and moderately heavy nuclei. The relativistic correction, however, does not significantly affect the spin-dipole contribution to the hyperfine interaction. In addition to the atomic and molecular systems, the implementation is applied to calculate the relativistic HFC parameters for large trivalent and divalent Tb-based single-molecule magnets (SMMs), such as Tb(III)Pc2 and Tb(II)(CpiPr5)2 without ligand truncation using well-converged basis sets. In particular, for the divalent SMM, which has an unpaired valence 6s/5d hybrid orbital, the relativistic treatment of HFC is crucial for a proper description of the Fermi contact contribution. Even with the relativistic hyperfine Hamiltonian, the divalent SMM is shown to exhibit strong tunability of HFC via an external electric field (i.e., strong hyperfine Stark effect).

Chemistry↗

NASA NTRS1995

The spatial variation of the infrared-to-radio ratio in spiral galaxies

We have produced two-dimensional maps of the intensity ratio, Q(sub 60), of 60 micron infrared to 20 cm radio continuum emission, for a set of 25 nearby galaxies, mostly spirals. The ratio maps were obtained from infrared images made using IRAS data with the maximum correlation method, and radio images made using VLA data. Before taking the ratio, the radio images were processed so as to have the same resolution properties as the infrared images; the final spatial resolution in all cases is approximately 1 min, corresponding to 1 - 2 kpc for most galaxies. This resolution represents a significant improvement over previous studies. Our new high-resolution maps confirm the slow decrease of Q(sub 60) with increasing radial distance from the nucleus, but show additional structure which is probably associated with separate sites of active star formation in the spiral arms. The maps show Q(sub 60) to be more closely related to infrared surface brightness than to the radial distance r in the galaxy disk. We note also that the Q(sub 60) gradients are absent (or at least reduced) for the edge-on galaxies, a property which can be attributed to the dilution of contrast due to the averaging of the additional structure along the line of sight. The results are all in qualitative agreement with the suggestion that the radio image represents a smeared version of the infrared image, as would be expected on the basis of current models in which the infrared-radio correlation is driven by the formation of massive stars, and the intensity distribution of radio emission is smeared as a result of the propagation of energetic electrons accelerated during the supernova phase.

Marsh, K. A.↗

NASA NTRS1959

Trajectory Control for Vehicles Entering the Earth's Atmosphere at Small Flight Path Angles

Methods of controlling the trajectories of high-drag-low-lift vehicles entering the earth's atmosphere at angles of attack near 90 deg and at initial entry angles up to 3 deg are studied. The trajectories are calculated for vehicles whose angle of attack can be held constant at some specified value or can be perfectly controlled as a function of some measured quantity along the trajectory. The results might be applied in the design of automatic control systems or in the design of instruments which will give the human pilot sufficient information to control his trajectory properly during an atmospheric entry. Trajectory data are compared on the basis of the deceleration, range, angle of attack, and, in some cases, the rate of descent. The aerodynamic heat-transfer rate and skin temperature of a vehicle with a simple heat-sink type of structure are calculated for trajectories made with several types of control functions. For the range of entry angles considered, it is found that the angle of attack can be controlled to restrict the deceleration down to an arbitrarily chosen level of 3g. All the control functions tried are successful in reducing the maximum deceleration to the desired level. However, in order to avoid a tendency for the deceleration to reach an initial peak decrease, and then reach a second peak, some anticipation is required in the control function so that the change in angle of attack will lead the change in deceleration. When the angle of attack is controlled in the aforementioned manner, the maximum rate of aerodynamic heat transfer to the skin is reduced, the maximum skin temperature of the vehicle is virtually unaffected, and the total heat absorbed is slightly increased. The increase in total heat can be minimized, however, by maintaining the maximum desired deceleration for as much of the trajectory as possible. From an initial angle of attack of 90 deg, the angle-of-attack requirements necessary to maintain constant values of deceleration (1g to 4g) and constant values of rate of descent (450 to 1,130 ft/sec) as long as it is aerodynamically practical are calculated and are found to be moderate in both magnitude and rate. Entry trajectories made with these types of control are presented and discussed.

Eggleston, John M.↗

NASA NTRS1999

Fracture Mechanics of Thin, Cracked Plates Under Tension, Bending and Out-of-Plane Shear Loading

Cracks in the skin of aircraft fuselages or other shell structures can be subjected to very complex stress states, resulting in mixed-mode fracture conditions. For example, a crack running along a stringer in a pressurized fuselage will be subject to the usual in-plane tension stresses (Mode-I) along with out-of-plane tearing stresses (Mode-III like). Crack growth and initiation in this case is correlated not only with the tensile or Mode-I stress intensity factor, K(sub I), but depends on a combination of parameters and on the history of crack growth. The stresses at the tip of a crack in a plate or shell are typically described in terms of either the small deflection Kirchhoff plate theory. However, real applications involve large deflections. We show, using the von-Karman theory, that the crack tip stress field derived on the basis of the small deflection theory is still valid for large deflections. We then give examples demonstrating the exact calculation of energy release rates and stress intensity factors for cracked plates loaded to large deflections. The crack tip fields calculated using the plate theories are an approximation to the actual three dimensional fields. Using three dimensional finite element analyses we have explored the relationship between the three dimensional elasticity theory and two dimensional plate theory results. The results show that for out-of-plane shear loading the three dimensional and Kirchhoff theory results coincide at distance greater than h/2 from the crack tip, where h/2 is the plate thickness. Inside this region, the distribution of stresses through the thickness can be very different from the plate theory predictions. We have also explored how the energy release rate varies as a function of crack length to plate thickness using the different theories. This is important in the implementation of fracture prediction methods using finite element analysis. Our experiments show that under certain conditions, during fatigue crack growth, the presence of out-of-plane shear loads induces a great deal of contact and friction on the crack surfaces, dramatically reducing crack growth rate. A series of experiments and a proposed computational approach for accounting for the friction is discussed.

Zehnder, Alan T.↗

NASA NTRS1999

Alterations in Cardiovascular Regulation and Function During Long-Term Simulated Microgravity

The Cardiovascular Alterations Team is conducting studies of hemodynamic regulation and susceptibility to arrhythmias resulting from sixteen days of simulated microgravity exposure. In these studies very intensive measurements are made during a short duration of bed rest. In this collaborative effort are making many of the same measurements, however much less frequently, on subjects who are exposed to a much longer duration of simulated microgravity. Alterations in cardiovascular regulation and function that occur during and after space flight have been reported. These alterations are manifested, for example, by reduced orthostatic tolerance upon reentry to the earth's gravity from space. However, the precise physiologic mechanisms responsible for these alterations remain to be fully elucidated. Perhaps, as a result, effective countermeasures have yet to be developed. In addition, numerous reports from the past 30 years suggest that the incidence of ventricular arrhythmias among astronauts is increased during space flight. However, the effects of space flight and the associated physiologic stresses on cardiac conduction processes are not known, and an increase in cardiac susceptibility to arrhythmias has never been quantified. In this project we are applying the most powerful technologies available to determine, in a ground-based study of long duration space flight, the mechanisms by which space flight affects cardiovascular function, and then on the basis of an understanding of these mechanisms to develop rational and specific countermeasures. To this end we are conducting a collaborative project with the Bone Demineralization/Calcium Metabolism Team of the National Space Biomedical Research Institute (NSBRI). The Bone Team is conducting bed rest studies in human subjects lasting 17 weeks, which provides a unique opportunity to study the effects of long duration microgravity exposure on the human cardiovascular system. We are applying a number of powerful new methods to these long term bed rest subjects, including cardiovascular system identification (CSI), microvolt level T wave alternans analysis, and cardiac magnetic resonance imaging to assess non-invasively the effects of simulated long duration space flight on the cardiovascular system.

Cohen, Richard J.↗

DOE OSTI2023

Data-Driven Refinement of Electronic Energies from Two-Electron Reduced-Density-Matrix Theory

The exponential computational cost of describing strongly correlated electrons can be mitigated by adopting a reduced-density-matrix (RDM)-based description of the electronic structure. While variational two-electron RDM (v2RDM) methods can enable large-scale calculations on such systems, the quality of the solution is limited by the fact that only a subset of known necessary N-representability constraints can be applied to the 2RDM in practical calculations. Here, we demonstrate that violations of partial three-particle (T1 and T2) N-representability conditions, which can be evaluated with knowledge of only the 2RDM, can serve as physics-based features in a machine-learning (ML) protocol for improving energies from v2RDM calculations that consider only two-particle (PQG) conditions. Proof-of-principle calculations demonstrate that the model yields substantially improved energies, relative to reference values from configuration-interaction-based calculations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS2001

Cockpit Adaptive Automation and Pilot Performance

The introduction of high-level automated systems in the aircraft cockpit has provided several benefits, e.g., new capabilities, enhanced operational efficiency, and reduced crew workload. At the same time, conventional 'static' automation has sometimes degraded human operator monitoring performance, increased workload, and reduced situation awareness. Adaptive automation represents an alternative to static automation. In this approach, task allocation between human operators and computer systems is flexible and context-dependent rather than static. Adaptive automation, or adaptive task allocation, is thought to provide for regulation of operator workload and performance, while preserving the benefits of static automation. In previous research we have reported beneficial effects of adaptive automation on the performance of both pilots and non-pilots of flight-related tasks. For adaptive systems to be viable, however, such benefits need to be examined jointly in the context of a single set of tasks. The studies carried out under this project evaluated a systematic method for combining different forms of adaptive automation. A model for effective combination of different forms of adaptive automation, based on matching adaptation to operator workload was proposed and tested. The model was evaluated in studies using IFR-rated pilots flying a general-aviation simulator. Performance, subjective, and physiological (heart rate variability, eye scan-paths) measures of workload were recorded. The studies compared workload-based adaptation to to non-adaptive control conditions and found evidence for systematic benefits of adaptive automation. The research provides an empirical basis for evaluating the effectiveness of adaptive automation in the cockpit. The results contribute to the development of design principles and guidelines for the implementation of adaptive automation in the cockpit, particularly in general aviation, and in other human-machine systems. Project goals were met or exceeded. The results of the research extended knowledge of automation-related performance decrements in pilots and demonstrated the positive effects of adaptive task allocation. In addition, several practical implications for cockpit automation design were drawn from the research conducted. A total of 12 articles deriving from the project were published.

Parasuraman, Raja↗