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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 631 records · Page 35
All sourcesNASA NTRSDOE OSTI
NASA NTRS1973

Ultrasonic scanning system for in-place inspection of brazed tube joints

A miniaturized ultrasonic scanning system for nondestructive in-place, non-immersion testing of brazed joints in stainless-steel tubing is described. The system is capable of scanning brazed tube joints, with limited clearance access, in 1/4 through 5/8 inch union, tee, elbow and cross configurations. The system has the capability to detect defective conditions now associated with material density changes in addition to those which are depended upon density variations. The system includes a miniaturized scanning head assembly that fits around a tube joint and rotates the transducer around and down the joint in a continuous spiral motion. The C-scan recorder is similar in principle to conventional models except that it was specially designed to track the continuous spiral scan of the tube joint. The scanner and recorder can be operated with most commercially available ultrasonic flaw detectors.

Haynes, J. L.↗
NASA NTRS1981

Dynamics of an experimental two bladed horizontal axis wind turbine with blade cyclic pitch variation

The turbine under study incorporates the combination of two features: the application of blade cyclic pitch variation; and the use of yaw angle control for rotor speed and torque regulation. Due to its emasculation by passive cyclic pitch variation the rotor can be rapidly yawed without encountering gyroscopic and aerodynamic hub moments and without noticeable out of plane excursions. The two bladed upwind rotor is vane stabilized and of very simple and rugged design. The principle was first checked out with a small scale wind tunnel model and then tested in the atmosphere with a 7.6 meter diameter experimental fully instrumented wind turbine driving a 3 phase alternator. The test results are summarized with respect to structural dynamics and yaw dynamics.

Hotenemser, K. H.↗
NASA NTRS1995

Phase lags in Cygnus X-1

Coronae of hot electrons are ubiquitous features in models of the inner regions of accreting black holes and nonmagnetic neutron stars. The scattering optical depth of these coronae inferred from observations is often tau approximately 3, so the energy spectrum of the disk in these regions is likely masked by the spectrum of upscattered photons in the corona and some of the disk properties are thus obscured. Observations of the dependence on not available with the energy spectrum. In our picture, the disk emission is modeled as a photon source injected into a Comptonizing corona; Comptonization may also occur in the disk, but for our purposes the disk emission is simply an input to the corona. We show that, contrary to some claims, the functional dependence of lag on Fourier frequency emerges intact from transit through the corona, modulo a multiplicative factor (which may in principle be negative, so that a phase lag can be changed to a phase lead), even if the properties of the corona vary with time. We also show that any frequency dependence of the lag due to variation in the corona itself is only second order in the amplitude of the variation, and cannot exceed the transit time approximately ms of the corona; thus, the lags of up to 0.1 s seen in several black hole candidates come from lags in the emission from the disk. Finally, we predict that plots of the time lag versus Fourier frequency in black hole candidates should have a 'shelf' of constant lag equal to the coronal lag (approximately 1 ms), with the constant being proportional to In (E(sub 2)/E(sub 1)) for the lag between energies E(sub 2) and E(sub 1). The lack of such a shelf in current observations of several galactic black hole candidates constraints the radii of the coronae to be R less than or approximately = 10(exp 8) tau cm.

Miller, M. Coleman↗
NASA NTRS2019

Discerning the Impact of Powder Feedstock Variability on Structure, Property, and Performance of Selective Laser Melted Alloy 718: A Principal Component Analysis (PCA) of Feedstock Variability

Extensive mechanical, chemical and microstructural analyses were conducted on additively manufactured Alloy 718 to characterize powders from multiple vendors to determine the effects of variations observed in the powders had on the consolidated material. With over 190 variables examined, it was necessary to reduce the number of variables and identify the variables and classes of variables that had the greatest effect. Principle Component Analysis (PCA) was used to reduce the number of variable to effectively 12 while identifying several classes of variables as most important.

Ellis, David↗
DOE OSTI2020

Toward a systematic improvement of the fixed-node approximation in diffusion Monte Carlo for solids—A case study in diamond

While Diffusion Monte Carlo (DMC) is in principle an exact stochastic method for ab initio electronic structure calculations, in practice, the fermionic sign problem necessitates the use of the fixed-node approximation and trial wavefunctions with approximate nodes (or zeros). This approximation introduces a variational error in the energy that potentially can be tested and systematically improved. Here, we present a computational method that produces trial wavefunctions with systematically improvable nodes for DMC calculations of periodic solids. These trial wavefunctions are efficiently generated with the configuration interaction using a perturbative selection made iteratively (CIPSI) method. A simple protocol in which both exact and approximate results for finite supercells are used to extrapolate to the thermodynamic limit is introduced. This approach is illustrated in the case of the carbon diamond using Slater–Jastrow trial wavefunctions including up to one million Slater determinants. Fixed-node DMC energies obtained with such large expansions are much improved, and the fixed-node error is found to decrease monotonically and smoothly as a function of the number of determinants in the trial wavefunction, a property opening the way to a better control of this error. The cohesive energy extrapolated to the thermodynamic limit is in close agreement with the estimated experimental value. Interestingly, this is also the case at the single-determinant level, thus, indicating a very good error cancellation in carbon diamond between the bulk and atomic total fixed-node energies when using single-determinant nodes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Spectroscopy and Scattering Studies Using Interpolated Ab Initio Potentials

The Born–Oppenheimer potential energy surface (PES) has come a long way since its introduction in the 1920s, both conceptually and in predictive power for practical applications. Nevertheless, nearly 100 years later—despite astonishing advances in computational power—the state-of-the-art first-principles prediction of observables related to spectroscopy and scattering dynamics is surprisingly limited. For example, the water dimer, (H 2 O) 2 , with only six nuclei and 20 electrons, still presents a formidable challenge for full-dimensional variational calculations of bound states and is considered out of reach for rigorous scattering calculations. The extremely poor scaling of the most rigorous quantum methods is fundamental; however, recent progress in development of approximate methodologies has opened the door to fairly routine high-quality predictions, unthinkable 20 years ago. In this review, in relation to the workflow of spectroscopy and/or scattering studies, we summarize progress and challenges in the component areas of electronic structure calculations, PES fitting, and quantum dynamical calculations.

Chemistry↗
NASA NTRS1979

Further developments in simple total energy sensors

A simple total energy probe concept using principles of laminar flow around a cylinder and pressure distribution is reviewed and flow fields around cylinders normal to and inclined to the flow are described. A variety of bent-up probe configurations were tested to explore variations in geometry. Test results are presented on the effects of sensor length, hole location, and angle of sweep. Comparisons are made with other probe tests reported in the literature. Damping restrictors and their use in filtering gusts are summarized. Flow field effects, indicating the variables involved for different mounting locations on aircraft, are discussed.

Nicks, O. W.↗
NASA NTRS2011

Sea Surface Salinity and Wind Retrieval Algorithm Using Combined Passive-Active L-Band Microwave Data

Aquarius is a combined passive/active L-band microwave instrument developed to map the salinity field at the surface of the ocean from space. The data will support studies of the coupling between ocean circulation, the global water cycle, and climate. The primary science objective of this mission is to monitor the seasonal and interannual variation of the large scale features of the surface salinity field in the open ocean with a spatial resolution of 150 kilometers and a retrieval accuracy of 0.2 practical salinity units globally on a monthly basis. The measurement principle is based on the response of the L-band (1.413 gigahertz) sea surface brightness temperatures (T (sub B)) to sea surface salinity. To achieve the required 0.2 practical salinity units accuracy, the impact of sea surface roughness (e.g. wind-generated ripples and waves) along with several factors on the observed brightness temperature has to be corrected to better than a few tenths of a degree Kelvin. To the end, Aquarius includes a scatterometer to help correct for this surface roughness effect.

ocean salinity↗
DOE OSTI2021

Ion Solvation and Transport in Narrow Carbon Nanotubes: Effects of Polarizability, Cation-π Interaction, and Confinement

Understanding ion solvation and transport under confinement is critical for a wide range of emerging technologies, including water desalination and energy storage. While molecular dynamics (MD) simulations have been widely used to study the behavior of confined ions, considerable deviations between simulation results depending on the specific treatment of intermolecular interactions remain. In the following, we present a systematic investigation of the structure and dynamics of two representative solutions, that is, KCl and LiCl, confined in narrow carbon nanotubes (CNTs) with a diameter of 1.1 and 1.5 nm, using a combination of first-principles and classical MD simulations. Our simulations show that the inclusion of both polarization and cation-π interactions is essential for the description of ion solvation under confinement, particularly for large ions with weak hydration energies. Beyond the variation in ion solvation, we find that cation-π interactions can significantly influence the transport properties of ions in CNTs, particularly for KCl, where our simulations point to a strong correlation between ion dehydration and diffusion. Finally, our study highlights the complex interplay between nanoconfinement and specific intermolecular interactions that strongly control the solvation and transport properties of ions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Learning nuclear cross sections across the chart of nuclides with graph neural networks

We explore the use of deep learning techniques to learn how nuclear cross sections change as we add or remove protons and neutrons. As a proof of principle, we focus on the neutron-induced reactions in the fast energy regime. Our approach follows a two-stage learning framework. First, we apply representation learning to encode cross section data into a latent space using either variational autoencoders (VAEs) or implicit neural representations (INRs). Then, we train graph neural networks (GNNs) on the resulting embeddings to predict missing values across the nuclear chart by leveraging the topological structure of neighboring isotopes. We demonstrate accurate cross section predictions within a 9 × 9 block of missing nuclei. We also find that the optimal GNN training strategy depends on the type of latent representation used, with VAE embeddings performing best under end-to-end optimization in the original space, while INR embeddings achieve better results when the GNN is trained only in the latent space. Furthermore, using clustering algorithms, we map groups of latent vectors into regions of the nuclear chart and show that VAEs and INRs can discover some of the neutron magic numbers. These findings suggest that deep-learning models based on the representation encoding of cross sections combined with graph neural networks hold significant potential in augmenting nuclear theory models, e.g., by providing reliable estimates of covariances of cross sections, including cross-material covariances.

Machine learning↗
NASA NTRS1990

Direct formulation of a 4-node hybrid shell element with rotational degrees of freedom

A simple 4-node assumed-stress hybrid quadrilateral shell element with rotational or drilling degrees of freedom is formulated. The element formulation is based directly on a 4-node element. This direct formulation requires fewer computations than a similar element that is derived from an internal 8-node isoparametric element in which the midside degrees of freedom are eliminated in favor of rotational degree of freedom at the corner nodes. The formulation is based on the principle of minimum complementary energy. The membrane part of the element has 12 degrees of freedom including rotational degrees of freedom. The bending part of the element also has 12 degrees of freedom. The bending part of the quadratic variations for both in-plane and out-of-plane displacement fields and linear variations for both in-plane and out-of-plane rotation fields are assumed along the edges of the element. The element Cartesian-coordinate system is chosen such as to make the stress field invariant with respect to node numbering. The membrane part of the stress field is based on a 9-parameter equilibrating stress field, while the bending part is based on a 13-parameter equilibrating stress field. The element passes the patch test, is nearly insensitive to mesh distortion, does not lock, possesses the desirable invariance properties, has no spurious modes, and produces accurate and reliable results.

Aminpour, Mohammad A.↗
NASA NTRS1990

The physics of the environmental sensitivity of rubidium gas cell atomic frequency standards

Environmental sensitivity is often the most significant limitation to the practical stability of rubidium frequency standards (RFS). For example, temperature sensitivity can cause a rapid frequency change of several parts in 10(exp 10) for a tactical RFS that has an aging of only 1 times 10(exp -11)/month. Other important environmental factors are barometric pressure, vibration, magnetic field, and nuclear radiation. The physical mechanisms that lie behind these environmental sensitivities are considered. These physical mechanisms are related to the performance of actual rubidium frequency standards. For the user of these devices, a better knowledge of the causes for Rb clock instability will aid in their testing and proper application. For the time frequency specialist, a review of these factors may prove useful toward improving RFS design. Some of the RFS environmental sensitivities are due to simple physical mechanisms like the effect of dc magnetic field on the Rb hyperfine resonance frequency. For these, an analysis can be based on physical principles and straightforward design factors. Other environment factors, like temperature sensitivity, are more complex combinations of many effects, both physical and practical, and the analysis often takes the form of an error budget with large unit-to-unit variations. Today's rubidium frequency standards span a wide performance range from small, inexpensive units with pp 10(exp 10) error budgets to larger, higher performance versions offering pp 10(exp 10) stabilities. For both extremes, however, environmental sensitivity can be the most significant performance limitation. Why this is the case and how to make improvements are discussed.

Riley, William J.↗
NASA NTRS2003

A statistical model of diurnal variation in human growth hormone

The diurnal pattern of growth hormone (GH) serum levels depends on the frequency and amplitude of GH secretory events, the kinetics of GH infusion into and clearance from the circulation, and the feedback of GH on its secretion. We present a two-dimensional linear differential equation model based on these physiological principles to describe GH diurnal patterns. The model characterizes the onset times of the secretory events, the secretory event amplitudes, as well as the infusion, clearance, and feedback half-lives of GH. We illustrate the model by using maximum likelihood methods to fit it to GH measurements collected in 12 normal, healthy women during 8 h of scheduled sleep and a 16-h circadian constant-routine protocol. We assess the importance of the model components by using parameter standard error estimates and Akaike's Information Criterion. During sleep, both the median infusion and clearance half-life estimates were 13.8 min, and the median number of secretory events was 2. During the constant routine, the median infusion half-life estimate was 12.6 min, the median clearance half-life estimate was 11.7 min, and the median number of secretory events was 5. The infusion and clearance half-life estimates and the number of secretory events are consistent with current published reports. Our model gave an excellent fit to each GH data series. Our analysis paradigm suggests an approach to decomposing GH diurnal patterns that can be used to characterize the physiological properties of this hormone under normal and pathological conditions.

Non-NASA Center↗
DOE OSTI2023

Subnanometer Visualization of Spatially Varying Local Field Resonances that Drive Tip-Enhanced Optical Spectroscopy

Our knowledge of the electromagnetic fields that power modern nanoscale optical measurements, including (non)linear tip-enhanced Raman and photoluminescence, chiefly stems from numerical simulations. Aside from idealized in silico vs heterogeneous (nano)structures in the laboratory, challenges in quantitative descriptions of nanoscale light–matter interactions more generally stem from the very nature of the problem, which lies at the interface of classical and quantum theories. This is particularly the case in ultrahigh spatial resolution measurements that are sensitive to local optical field variations that take place on subnanometer length scales. Here this work approaches this challenge through extinction-based spectral nanoimaging experiments. We demonstrate <1 nm spatial resolution in hyperspectral extinction measurements that track spatially varying plasmon resonances. We describe the principles behind our experiments and highlight more general implications of our observations.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Supercritical fluids behave as complex networks

Abstract Supercritical fluids play a key role in environmental, geological, and celestial processes, and are of great importance to many scientific and engineering applications. They exhibit strong variations in thermodynamic response functions, which has been hypothesized to stem from the microstructural behavior. However, a direct connection between thermodynamic conditions and the microstructural behavior, as described by molecular clusters, remains an outstanding issue. By utilizing a first-principles-based criterion and self-similarity analysis, we identify energetically localized molecular clusters whose size distribution and connectivity exhibit self-similarity in the extended supercritical phase space. We show that the structural response of these clusters follows a complex network behavior whose dynamics arises from the energetics of isotropic molecular interactions. Furthermore, we demonstrate that a hidden variable network model can accurately describe the structural and dynamical response of supercritical fluids. These results highlight the need for constitutive models and provide a basis to relate the fluid microstructure to thermodynamic response functions.

42 ENGINEERING↗
DOE OSTI2025

𝐴𝑏 initio density-matrix approach to exciton coherence: Phonon scattering, Coulomb interactions, and radiative recombination

Relaxation processes following light excitation in semiconductors are key in materials-based quantum technology applications. These processes are broadly studied in atomically thin transition-metal dichalcogenides, quasi-two-dimensional excitonic semiconductors in which atomistic design allows for tunable excited-state properties, such as relaxation lifetimes and photoinduced coherence. In this work, we present a density-matrix-based approach to compute exciton relaxation within a many-body ab initio perspective. We expand our previously developed Lindblad density-matrix formalism to capture multichannel electron-hole pair relaxation processes, including phonon and Coulomb scattering as well as radiative recombination, and we study their effect on the time-resolved excited-state propagation. Using monolayer MoSe 2 as a prototypical example, we examine many-body effects on the time-dependent dynamics of photoactive excitations, exploring how the electron-hole pair interactions are reflected in variations of the excitation energy, spectral signature, and state coherence. In conclusion, our method supplies a detailed understanding of exciton relaxation mechanisms in realistic materials, offering a previously unexplored pathway to study excited-state dynamics in semiconductors from first principles.

Band structure methods↗
DOE OSTI2026

Magnetoelectric properties at the Co/AlN(0001) interface

AlN nitride is a large-band-gap polar material that has gained interest due to its ability to become ferroelectric and its compatibility with Si- and GaN-based technologies. This compound could, therefore, be a good candidate to design new artificial multiferroics if combined with a ferromagnetic electrode. For this work, we performed first-principles calculations to investigate the set up of the magnetoelectric coupling at the Co/AlN(0001) interface. Our results describe a complex interfacial atomic structure with variable local magnetic properties as a function of the atom alignment. We predict an average variation of interface spin magnetization, when the polarization is reversed, of 3.83 𝜇B nm −2 , close to the values already reported in the literature at metal/oxide interfaces. This confirms the potential of this AlN-based ferroelectric compound to be used in future voltage-controlled spintronic devices.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Continuous liquid level measurements with time domain reflectometry

A time domain reflectometer is considered as a closed loop, one-dimensional radar system. Applying the principle of time domain reflectometry to the detection of cryogenic liquid levels, measurements on the order of + or - 0. 3% of total liquid level probe length are possible. The time domain reflectometer liquid level measurement is independent of liquid density variations and is simple to calibrate and operate. Construction of the liquid level sensing probe is described.

Cruz, J. E.↗