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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 127 records · Page 7
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Rapid and robust antibody Fab fragment crystallization utilizing edge-to-edge beta-sheet packing

Antibody therapeutics are one of the most important classes of drugs. Antibody structures have become an integral part of predicting the behavior of potential therapeutics, either directly or as the basis of modeling. Structures of Fab:antigen complexes have even greater value. While the crystallization and structure determination of Fabs is easy relative to many other protein classes, especially membrane proteins, broad screening and optimization of crystalline hits is still necessary. Through a comprehensive review of rabbit Fab crystal contacts and their incompatibility with human Fabs, we identified a small secondary structural element from the rabbit light chain constant domain potentially responsible for hindering the crystallization of human Fabs. Upon replacing the human kappa constant domain FG loop (HQGLSSP) with the two residue shorter rabbit loop (QGTTS), we dramatically improved the crystallization of human Fabs and Fab:antigen complexes. Our design, which we call “Crystal Kappa”, enables rapid crystallization of human fabs and fab complexes in a broad range of conditions, with less material in smaller screens or from dilute solutions.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Differentially Private Synthesis and Sharing of Network Data Via Bayesian Exponential Random Graph Models

Abstract Network data often contain sensitive relational information. One approach to protecting sensitive information while offering flexibility for network analysis is to share synthesized networks based on the information in originally observed networks. We employ differential privacy (DP) and exponential random graph models (ERGMs) and propose the DP-ERGM method to synthesize network data. We apply DP-ERGM to two real-world networks. We then compare the utility of synthesized networks generated by DP-ERGM, the DyadWise Randomized Response (DWRR) approach, and the Synthesis through Conditional distribution of Edge given nodal Attribute (SCEA) approach. In general, the results suggest that DP-ERGM preserves the original information significantly better than two other approaches in network structural statistics and inference for ERGMs and latent space models. Furthermore, DP-ERGM satisfies node DP through modeling the global network structure with ERGM, a stronger notion of privacy than the edge DP under which DWRR and SCEA operate.

graph synthesis↗
DOE OSTI2022

Microscopic diagnosis of universal geometric responses in fractional quantum Hall liquids

Topological quantum liquids contain internal degrees of freedom that are coupled to geometric response. Yet, an explicit and microscopic identification of the geometric response remains difficult. Here, taking notable fractional quantum Hall (FQH) states as typical examples, we systematically investigate a promising protocol—the Dehn-twist deformation on the torus geometry—to probe the geometric response of correlated topological states and establish the relation between such response and universal properties of pertinent states. Based on analytical derivations and numerical simulations, we find that the geometry-induced Berry phase encodes features for a broad class of FQH states at the Laughlin, hierarchy, Halperin and non-Abelian Moore-Read fillings. Our findings conclusively demonstrate that the adiabatic Dehn-twist deformation can faithfully capture rich geometric and topological information, including the Hall viscosity and topological spin of the pertinent FQH state and the chiral central charge of the underlying edge conformal field theory. Our approach provides a powerful way to reveal topological orders of generic FQH states and address previously open questions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS1990

The effect of a turbulent wake on the stagnation point. I - Skin friction results

The response of a boundary layer in the stagnation region of a two-dimensional body to fluctuations in the freestream is examined. The analysis is restricted to laminar incompressible flow. The assumed form of the velocity distribution at the edge of the boundary layer represents both a pulsation of the incoming flow, and an oscillation of the stagnation point streamline. Both features are essential in accurately representing the effect which freestream spatial and temporal nonuniformities have upon the unsteady boundary layer. Finally, a simple model is proposed which relates the characteristic parameters in a turbulent wake to the unsteady boundary-layer edge velocity. Numerical results are presented for both an arbitrary two-dimensional geometry and a circular cylinder.

Wilson, Dennis E.↗
NASA NTRS2011

Study of Near-Stall Flow Behavior in a Modern Transonic Fan with Composite Sweep

Detailed flow behavior in a modern transonic fan with a composite sweep is investigated in this paper. Both unsteady Reynolds-averaged Navier-Stokes (URANS) and Large Eddy Simulation (LES) methods are applied to investigate the flow field over a wide operating range. The calculated flow fields are compared with the data from an array of high-frequency response pressure transducers embedded in the fan casing. The current study shows that a relatively fine computational grid is required to resolve the flow field adequately and to calculate the pressure rise across the fan correctly. The calculated flow field shows detailed flow structure near the fan rotor tip region. Due to the introduction of composite sweep toward the rotor tip, the flow structure at the rotor tip is much more stable compared to that of the conventional blade design. The passage shock stays very close to the leading edge at the rotor tip even at the throttle limit. On the other hand, the passage shock becomes stronger and detaches earlier from the blade passage at the radius where the blade sweep is in the opposite direction. The interaction between the tip clearance vortex and the passage shock becomes intense as the fan operates toward the stall limit, and tip clearance vortex breakdown occurs at near-stall operation. URANS calculates the time-averaged flow field fairly well. Details of measured RMS static pressure are not calculated with sufficient accuracy with URANS. On the other hand, LES calculates details of the measured unsteady flow features in the current transonic fan with composite sweep fairly well and reveals the flow mechanism behind the measured unsteady flow field.

Hah, Chunill↗
DOE OSTI2023

Non-ideal MHD growth of current interchange tearing modes at plasma edge and response to externally-imposed flow

Current interchange tearing modes (CITMs) have been proposed to explain an intermittent eruption of electric current toward a divertor at an edge region of a tokamak device. Extended magnetohydrodynamic (MHD) simulations combined with the Scrape-Off-Layer diffusion model, which has been developed by the authors [Miura et al., Phys. Plasmas 24, 092111 (2017)], are carried out in order to study the growth of a CITM under influences of two-fluid and gyro-viscous effects, or non-ideal MHD effects. Numerical simulations both with and without an externally imposed azimuthal flow show that the growth of a CITM is observed for a relatively small flow velocity, and that a CITM can be a candidate mechanism for the intermittent eruption of the current in a tokamak, whether the growth is under influences of non-ideal MHD effects or not. Here, the growth can be suppressed when an externally imposed azimuthal flow is sufficiently large to cause a finite radial displacement because such a displacement prevents a transition from an interchange to a tearing mode that is the key process of a CITM. Furthermore, it is also found that a stripe pattern similar to so-called streamers is formed in the course of the CITM growth. The basic nature of this streamer-like structure is also presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Workflow Provenance in the Computing Continuum for Responsible, Trustworthy, and Energy-Efficient AI

As Artificial Intelligence (AI) becomes more pervasive in our society, it is crucial to develop, deploy, and assess Responsible and Trustworthy AI (RTAI) models, i.e., those that consider not only accuracy but also other aspects, such as explainability, fairness, and energy efficiency. Workflow provenance data have historically enabled critical capabilities towards RTAI. Provenance data derivation paths contribute to responsible workflows through transparency in tracking artifacts and resource consumption. Provenance data are well-known for their trustworthiness helping explainability, reproducibility, and accountability. However, there are complex challenges to achieve RTAI, which are further complicated by the heterogeneous infrastructure in the computing continuum (Edge-Cloud-HPC) used to develop and deploy models. As a result, a significant research and development gap remains between workflow provenance data management and RTAI. In this paper, we present a vision of the pivotal role of workflow provenance in supporting RTAI and discuss related challenges. We present a schematic view between RTAI and provenance, and highlight open research directions.

Santos Souza, Renan↗
DOE OSTI2020

Sensor Distortion Effects in Photon Monte Carlo Simulations

We present a detailed method to simulating sensor distortions using a photon and electron Monte Carlo method. We use three-dimensional electrostatic simulations to parameterize the perturbed electric field profile for nonideal sensor details. We follow the conversion of simulated photons, and the subsequent response of the converted electrons to the electric field pattern. These nonideal sensor details can be implemented efficiently in a Monte Carlo approach. We demonstrate that the nonideal sensor distortions have a variety of observable consequence including the modification of the astrometric pattern; the distortion of the electron diffusion size and shape; and the distortion of flats. We show analytic validation of the diffusion physics, reproduce two kinds of edge distortion, and show qualitative validation of field-free regions, lithography errors, and fringing. We also demonstrate that there are two related effects of doping variation having different observable consequences. We show that field distortions from accumulated electrons lead to intensity-dependent point-spread functions and the sublinear variance in flats. The method is implemented in the Photon Simulator and the code is publicly available.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
NASA NTRS1981

Sound measurements of the MOD-2 wind turbine generator

Sound measurements were made for the MOD-2 wind turbine generator for wind conditions of 7.6 to 13.4 m/sec and for output power ratings of about 1 to 2 NW. Both broad band and narrow band data wre obtained for a range of distances and azimuth angles from the machine. The rotor sound spectra are random in character and peak in the frequency ranges 30 to 50 Hz and 800 to 1300 Hz. Both peaks are predictable from experience with helicopter rotors and propellers. Results suggest that the lower frequency peak is due to the effects of inflow turbulence and the higher frequency peak is due to the interactions of the turbulent boundary layers with the trailing edges of the blades. The boundary layer related sound is the dominant component in the audible frequency range and determines the detectability of the machine. It could be detected at a distance of 1350 m in the upwind direction where the background noise was 30 dB (A) and at distances in excess of 2100 m in the downwind direction. Discrete frequency sound components associated with the power generation equipment are measurable in the direction normal to the axis of rotation but are not believed to be significant for detection or community response.

Hubbard, H. H.↗
NASA NTRS1979

Thermal infrared properties of the Martian atmosphere. III - Local dust clouds

Prior to and during the Martian global dust storms in 1977, local dust clouds were identified from thermal observations. Local dust clouds appear up to 40 K cooler than the surrounding region in the daytime and appear warm at night. In contrast to their well-developed and consistent thermal signatures, local dust clouds exhibited little albedo contrast. Multiple observations of the same areas show that local dust clouds form and dissipate in a few days or less, and clouds were observed to move with velocities of from 14 to at least 32 m/sec. Local dust clouds are common along the receding edge of the south polar cap (observed primarily for orbiter imaging) and in the restricted area -10 deg to -30 deg, 80 deg to 125 deg W (observed primarily by the infrared thermal mapper); several of the latter occurred over a ridge in Claritas Fossae, indicating strong topographic control. In their active growing stage, local dust clouds are probably about 8 km high and have relatively abrupt tops. The accumulation of dust from local clouds reached similar levels immediately prior to both global storms, supporting the hypothesis that such dust accumulations are responsible for triggering the global dust storms.

Peterfreund, A. R.↗
NASA NTRS1994

The Eady problem for a basic state with zero PV gradient but beta does not equal 0

The classic Eady problem is modified to include beta does not equal 0, but with the basic distributions of temperature and zonal flow adjusted to preserve zero meridional gradients of basic-state potential vorticity in the fluid interior. Much of the mathematical simplicity of the classic problem is retained; however, the results differ in important ways. Specifically, the instability now has a long-wave cutoff in addition to the traditional short-wave cutoff. The former is associated with the fact that the phase speeds of the edge waves begin to differ so much as wavenumber is reduced that the two edge waves can no longer interact in order to form unstable modes. For the unstable modes, this manifests itself in that the steering level for unstable modes is always below the middle of the fluid and approaches the lower boundary near the long-wave cutoff. Relatedly, the amplitude of the unstable geopotential perturbations is larger at the upper boundary than at the lower boundary. Finally, below the long-wave cutoff, one of the neutral waves has a phase speed that becomes increasingly easterly as wavenumber decreases. This allows a resonant response to planetary-scale stationary forcing.

Lindzen, Richard S.↗
DOE OSTI2024

Utilization of Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) Solid Solutions for Efficient Photo‐Assisted Fenton Degradation of Methylene Blue Dye

Novel (KNbO 3 ) 1− x (Ba 2 FeNbO 6 ) x ( x = 0.1, 0.2, 0.3) solid solutions corresponding to K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 , K 0.64 Ba 0.36 Fe 0.18 Nb 0.82 O 3 , and K 0.46 Ba 0.54 Fe 0.27 Nb 0.73 O 3 compounds have been synthesized via molten salt method. X‐ray diffraction confirms the formation of solid solutions, while transmission electron microscopy combined with energy‐dispersive spectroscopy results demonstrates a homogeneous distribution of elements. The obtained solid solutions crystallized in a cubic crystal structure, whereas the parent KNbO 3 possesses an orthorhombic structure. The wide bandgap semiconductor KNbO 3 transformed into a visible‐light‐active material, with its bandgap energy reduced from 3.56 eV to ≈2.4 eV. The substitution of K in KNbO 3 with Ba is responsible for structural modification from orthorhombic to cubic symmetry, whereas both structural modification and the substitution of Nb with Fe correlated with optical properties. The photocatalytic activities of all obtained solid solutions are improved compared with the parent KNbO 3 and Ba 2 FeNbO 6 compounds for photocatalytic degradation of methylene blue (MB) dye. Among the series of solid solutions, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalysts show the highest MB removal efficiency owing to its relatively higher surface area, suppressed charge carrier recombination, and more negative conduction band edge. Moreover, K 0.82 Ba 0.18 Fe 0.09 Nb 0.91 O 3 photocatalyst (0.1 g) combined with hydrogen peroxide (H 2 O 2 ) to form a novel photo‐Fenton system, achieving almost complete degradation of 100 mL of 10 mg L −1 MB dye in 30 min.

Avcıoğlu, Celal [Technische Universität Berlin, Fa↗
NASA NTRS1986

Airfoil gust response and the sound produced by airifoil-vortex interaction

This paper contributes to the understanding of the noise generation process of an airfoil encountering an unsteady upwash. By using a fast Fourier transform together with accurate airfoil response functions, the lift-time waveform for an airfoil encountering a delta function gust (the indicial function) is calculated for a flat plate airfoil in a compressible flow. This shows the interesting property that the lift is constant until the generated acoustic wave reaches the trailing edge. Expressions are given for the magnitude of this constant and for the pressure distribution on the airfoil during this time interval. The case of an airfoil cutting through a line vortex is also analyzed. The pressure-time waveform in the far field is closely related to the left-time waveform for the above problem of an airfoil entering a delta function gust. The effects of varying the relevant parameters in the problem are studied, including the observed position, the core diameter of the vortex, the vortex orientation and the airfoil span. The far field sound varies significantly with observer position, illustrating the importance of non-compactness effects. Increasing the viscous core diameter tends to smooth the pressure-time waveform. For small viscous core radius and infinite span, changing the vortex orientation changes only the amplitude of the pressure-time waveform, and not the shape.

Amiet, R. K.↗
NASA NTRS1987

Enhanced viscous flow drag reduction using acoustic excitation

Proper acoustic excitation of a single large-eddy break-up device can increase the resulting drag reduction and, after approximately 40 to 50 delta downstream, provide net drag reduction. Precise optimization of the input time delay, amplitude and response threshold is difficult but possible to achieve. Drag reduction is improved with optimized conditions. The possibility of optimized processing strongly suggests a mechanism which involves interaction of the acoustic waves and large eddies at the trailing edge of the large eddy break-up device. Although the mechanism for spreading of this phenomenon is unknown, it is apparent that the drag reduction effect does tend to spread spanwise as the flow convects downstream. The phenomenon is not unique to a particular blade configuration or flow velocity, although all data have been obtained at relatively low Reynolds numbers. The general repeatibility of the results for small configuration changes serves as verification of the phenomenon.

Nagel, Robert T.↗
DOE OSTI2021

Reconfiguring the band-edge states of photovoltaic perovskites by conjugated organic cations

The band edges of metal-halide perovskites with a general chemical structure of ABX 3 (A, usually a monovalent organic cation; B, a divalent cation; and X, a halide anion) are constructed mainly of the orbitals from B and X sites. Hence, the structural and compositional varieties of the inorganic B–X framework are primarily responsible for regulating their electronic properties, whereas A-site cations are thought to only help stabilize the lattice and not to directly contribute to near-edge states. We report a π-conjugation–induced extension of electronic states of A-site cations that affects perovskite frontier orbitals. The π-conjugated pyrene-containing A-site cations electronically contribute to the surface band edges and influence the carrier dynamics, with a properly tailored intercalation distance between layers of the inorganic framework. Lastly, the ethylammonium pyrene increased hole mobilities, improved power conversion efficiencies relative to that of a reference perovskite, and enhanced device stability.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Differentially Private Generation of Social Networks via Exponential Random Graph Models

Many social networks contain sensitive relational information. One approach to protect the sensitive relational information while offering flexibility for social network research and analysis is to release synthetic social networks at a pre-specified privacy risk level, given the original observed network. In this work, we propose the DP-ERGM procedure that synthesizes networks that satisfy the differential privacy (DP) via the exponential random graph model (EGRM). We apply DP-ERGM to a college student friendship network and compare its original network information preservation in the generated private networks with two other approaches: differentially private DyadWise Randomized Response (DWRR) and Sanitization of the Conditional probability of Edge given Attribute classes (SCEA). The results suggest that DP-EGRM preserves the original information significantly better than DWRR and SCEA in both network statistics and inferences from ERGMs and latent space models. In addition, DP-ERGM satisfies the node DP, a stronger notion of privacy than the edge DP that DWRR and SCEA satisfy.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1980

On the role of a supernova in the formation of the solar system

Four possible scenarios relating the proto-solar cloud to the 'last-minute' supernova presumed responsible for the isotopic anomalies in Allende and other meteorites are considered. The probability that a chance supernova occurred close enough to an already-collapsing proto-solar cloud to inject sufficient matter is extremely small, even if the sun formed in a region of enhanced supernova activity such as Orion OB1. The ambient level of Al-26 inside a molecular cloud in Orion is also apparently too low to account for the meteorite data, unless the supernova ejecta accumulates at the edges of the cloud and star formation occurs there preferentially. Two modes of supernova-induced star formation are discussed. In one, the supernova shock collapses a preexisting cloud; in the other, stars form within the snowplow shell of the supernova. Canis Major R1 and Monoceros R1 are possible present-day examples of such star formation regions.

Herbst, W.↗
NASA NTRS1998

Influence of Material Distribution on Impact Resistance of Hybrid Composites

Impact events occur in a wide variety of circumstances. A typical example is a bullet impacting a target made of composite material. These impact events produce time-varying loads on a structure that can result in damage. As a first step to understanding the damage resistance issue in composite laminates, an accurate prediction of the transient response during an impact event is necessary. The analysis of dynamic loadings on laminated composite plates has undergone considerable development recently. Rayleigh-Ritz energy method was used to determine the impact response of laminated plates. The impact response of composite plates using shear deformation plate theory was analyzed. In recent work a closed-form solution was obtained for a rectangular plate with four edges simply supported subjected to a center impact load using classical plate theory. The problem was further investigated and the analysis results compared of both classical plate theory and shear deformation theory, and found that classical plate theory predicts very accurate results for the range of small deformations considered. In this study, the influence of cross sectional material distribution on the comparative impact responses of hybrid metal laminates subjected to low and medium velocity impacts is investigated. A simple linear model to evaluate the magnitude of the impact load is proposed first, and it establishes a relation between the impact velocity and the impact force. Then a closed-form solution for impact problem is presented. The results were compared with the finite element analysis results. For an 11 layer-hybrid laminate, the impact response as a function of material distribution in cross-section is presented. With equal areal weight, the effect of the number of laminate layers on the impact resistance is also investigated. Finally, the significance of the presented results is discussed.

Abatan, Ayu↗