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At least 1,171 records · Page 65
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Brown-York charges at null boundaries

The Brown-York stress tensor provides a means for defining quasilocal gravitational charges in subregions bounded by a timelike hypersurface. We consider the generalization of this stress tensor to null hypersurfaces. Such a stress tensor can be derived from the on-shell subregion action of general relativity associated with a Dirichlet variational principle, which fixes an induced Carroll structure on the null boundary. The formula for the mixed-index tensor T i j takes a remarkably simple form that is manifestly independent of the choice of auxiliary null vector at the null surface, and we compare this expression to previous proposals for null Brown-York stress tensors. The stress tensor we obtain satisfies a covariant conservation equation with respect to any connection induced from a rigging vector at the hypersurface, as a result of the null constraint equations. For transformations that act covariantly on the boundary structures, the Brown-York charges coincide with canonical charges constructed from a version of the Wald-Zoupas procedure. For anomalous transformations, the charges differ by an intrinsic functional of the boundary geometry, which we explicity verify for a set of symmetries associated with finite null hyper-surfaces. Applications of the null Brown-York stress tensor to symmetries of asymptotically flat spacetimes and celestial holography are discussed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2021

Synthesis, characterization, and thermodynamic study of selected K-based zeolites

Potassium-rich zeolites often occur in cementitious systems, as K{sup +} is widespread in various cementitious materials, such as Portland, blended and alkali-activated cements. The knowledge of their stability and of thermodynamic models for solid solutions with Na{sup +} and Ca{sup 2+} are critical to understand long-term development and durability in such cements. Completing previous studies on Na- and Ca-based zeolites, the current work aims to determine the thermodynamic data of 14 types of K-based zeolites, which could possibly form in cementitious systems. The zeolites were synthesized hydrothermally, exchanged with K{sup +}, and characterized thoroughly with respect to framework structures, elemental compositions, water contents, and bond variations. Their thermodynamic properties were derived from the experimental solubility data, which allowed establishing predominance diagrams in the K{sub 2}O-SiO{sub 2}-Al{sub 2}O{sub 3}-H{sub 2}O system. The K-based zeolites typically showed the lowest solubility between 0 and 100 °C, with the notable exception of Ca-gismondine and two Na-based zeolites: natrolite and Na-mordenite.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Understanding interfacial crystallization dynamics on carbon fiber reinforced polypropylene composite manufacturing

Reinforcing polymers with discontinuous fibers improves mechanical properties, such as strength and stiffness, and in some cases achieve isotropic properties, rendering them suitable for various engineering applications. Matrix materials are generally highly engineered thermosets (e.g. crosslinked epoxies), bonded to the fiber periphery by proprietary surface and sizing chemistries. Semicrystalline thermoplastic matrices are less utilized due to poor fiber-matrix bonding resulting in inefficient interfacial load-transfer in reinforced composites. However, flexibility with melt-processing or molding conditions can be leveraged to promote non-covalent interfacial bonding between matrix and fiber via crystallization of the matrix onto fiber surface. In the present study, we utilize a co-mingle chopped carbon and isotactic polypropylene fibers to form isotropic composites, tailoring interfacial immobilized matrix or interphase morphology to optimize performance through precise control of thermal processing/molding windows. Calorimetry and optical microscopy were employed to investigate the impact of carbon fiber at various volume fractions (10, 20, and 30 %) on isotactic polypropylene crystallization and mechanical performance. Variations in mechanical properties correspond to the structural evolution of the interfacial region and are correlated to underlying microstructural attributes using wide-angle X-ray scattering, thermal analysis, and low-field nuclear magnetic resonance spectroscopy. These results provide a practical framework for the manufacturing of thermoplastic matrix composites. In conclusion, the results presented provide a guide for the strategic optimization of interphase design, showcasing tailorable tensile strengths which outperform any isotactic polypropylene carbon fiber composites previously reported in literature.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Nanoscale Photoexcited Carrier Dynamics in Perovskites

The optoelectronic properties of lead halide perovskite thin films can be tuned through compositional variations and strain, but the associated nanocrystalline structure makes it difficult to untangle the link between composition, processing conditions, and ultimately material properties and degradation. Here, we study the effect of processing conditions and degradation on the local photoconductivity dynamics in [(CsPbI 3 ) 0.05 (FAPbI 3 ) 0.85 (MAPbBr 3 ) 0.15 ] and (FA 0.7 Cs 0.3 PbI 3 ) perovskite thin films using temporally and spectrally resolved microwave near-field microscopy with a temporal resolution as high as 5 ns and a spatial resolution better than 50 nm. For the latter FACs formulation, we find a clear effect of the process annealing temperature on film morphology, stability, and spatial photoconductivity distribution. After exposure of samples to ambient conditions and illumination, we find spectral evidence of halide segregation-induced degradation below the instrument resolution limit for the mixed halide formulation, while we find a clear spatially inhomogeneous increase in the carrier lifetime for the FACs formulation annealed at 180 degrees C.

14 SOLAR ENERGY↗
DOE OSTI2024

Resolving Nonequilibrium Shape Variations among Millions of Gold Nanoparticles

Nanoparticles, exhibiting functionally relevant structural heterogeneity, are at the forefront of cutting-edge research. Now, high-throughput single-particle imaging (SPI) with X-ray free-electron lasers (XFELs) creates opportunities for recovering the shape distributions of millions of particles that exhibit functionally relevant structural heterogeneity. To realize this potential, three challenges have to be overcome: (1) simultaneous parametrization of structural variability in real and reciprocal spaces; (2) efficiently inferring the latent parameters of each SPI measurement; (3) scaling up comparisons between 10 5 structural models and 10 6 XFEL-SPI measurements. Here, we describe how we overcame these three challenges to resolve the nonequilibrium shape distributions within millions of gold nanoparticles imaged at the European XFEL. These shape distributions allowed us to quantify the degree of asymmetry in these particles, discover a relatively stable “shape envelope” among nanoparticles, discern finite-size effects related to shape-controlling surfactants, and extrapolate nanoparticles’ shapes to their idealized thermodynamic limit. Ultimately, these demonstrations show that XFEL SPI can help transform nanoparticle shape characterization from anecdotally interesting to statistically meaningful.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Label-free affinity screening, design and synthesis of inhibitors targeting the Mycobacterium tuberculosis L-alanine dehydrogenase

The ability of Mycobacterium tuberculosis (Mtb) to persist in its host may enable an evolutionary advantage for drug resistant variants to emerge. A potential strategy to prevent persistence and gain drug efficacy is to directly target the activity of enzymes that are crucial for persistence. We present a method for expedited discovery and structure-based design of lead compounds by targeting the hypoxia-associated enzyme L-alanine dehydrogenase (AlaDH). Biochemical and structural analyses of AlaDH confirmed binding of nucleoside derivatives and showed a site adjacent to the nucleoside binding pocket that can confer specificity to putative inhibitors. Using a combination of dye-ligand affinity chromatography, enzyme kinetics and protein crystallographic studies, we show the development and validation of drug prototypes. Crystal structures of AlaDH-inhibitor complexes with variations at the N6 position of the adenyl-moiety of the inhibitor provide insight into the molecular basis for the specificity of these compounds. We describe a drug-designing pipeline that aims to block Mtb to proliferate upon re-oxygenation by specifically blocking NAD accessibility to AlaDH. The collective approach to drug discovery was further evaluated through in silico analyses providing additional insight into an efficient drug development strategy that can be further assessed with the incorporation of in vivo studies.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2025

Investigation of Site Amplifications Using Ambient-Noise-Derived Shallow Velocity Structures Under a Dense Array in Oklahoma

The shear-wave velocity (V S ) structure plays an important role in characterizing site amplification. The Large-n Seismic Survey in Oklahoma (LASSO; 1820 stations) revealed large vertical ground-motion variability in a 25 km × 32 km area in northern Oklahoma. The LASSO array has a relatively simple and flat topography, typical in a sedimentary basin environment in the central United States. In this study, we use the dense array to investigate the velocity structure under the LASSO array and how vertical ground motions relate to the shallow-to-deep structures. We extract the fundamental-mode Rayleigh wave by cross-correlating one month of ambient noise (0.7–5 Hz). We use double-beamforming to measure the group and phase velocities and anisotropy. By jointly inverting the group and phase velocities, we obtain the V S structure. Here, we observe correlations between V S at depths of 0.1–1.5 km and vertical ground motions using sites on the stiffer Permian formations. The shallow Quaternary alluvium and terrace deposits can amplify vertical ground motions by a factor of 2–4.5 between 2 and 25 Hz and attenuate signals above 25 Hz. We use 1D V S profiles to simulate the SV-wave transfer functions. An average V S of 250 m/s in the upper 20–40 m may cause the observed amplification between 2 and 40 Hz. V S estimated by topographic slopes cannot predict the relative amplification. Our results highlight the large variability of site-dependent ground motion in a small local region and the importance of characterizing shallow structures to estimate seismic hazards. Small thickness variations of the shallow formation can significantly change the resonance amplitude and frequency, which likely reduces the coherency of the Rayleigh waves extracted from ambient noise.

Chang, Hilary [Massachusetts Inst. of Technology (↗
DOE OSTI2020

Accuracy of High Explosive Data used for Reactive Burn Model Calibration

Reactive burn models for a high explosive (HE) have three components: an equation of state (EOS) for the products, an EOS for the reactants and a reaction rate. For the products, we discuss the uncertainty in data for the planar detonation state and its release isentrope. For the reactants, the uncertainty in the principal shock locus data is discussed. For the reaction rate, we discuss uncertainties in shock initiation data (distance-of-run to detonation as a function of shock pressure), and curvature effect data (detonation speed as a function of front curvature). An important source of uncertainty for calibrating the reaction rate for a plastic-bonded explosive (PBX) results from variations in heterogeneities; that is the mesoscale structure of HE grains, binder and porosity. This shows up in the scatter of both shock initiation data and curvature effect data with small changes in initial density and initial temperature, and systematic changes with PBX lot. As illustrative examples, we use data for the conventional HMX based PBX 9501 and the insensitive TATB based PBX 9502 since these explosives have been extensively studied and high quality data are readily available in the literature.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
NASA NTRS1971

Intensity oscillation in H alpha-fine structures

Using a new technique of directly measuring the intensity variation from the 16mm time-lapse filtergram movies taken in the blue wing and in the line center of H-alpha, periodic intensity oscillations were found in the center of H-alpha supergranulation network, in rosette centers, and in plage granules. The oscillatory period of intensity in the network is of the order of 170 + or - 44 seconds while in regions of stronger magnetic field, such as in plages and in rosettes, the period was found to be longer, on the order of 300 + or - 50 seconds. It is suggested that observed intensity oscillation in the rosette center is related to the shooting out of dark mottles from rosettes. Oscillatory intensity fluctuations were also observed in the sunspot umbra.

Bhatnagar, A.↗
NASA NTRS1972

Optimization of simple structures with higher mode frequency constraints.

Results of a study of least weight optimization of simple structures with a single natural frequency constraint. Variational techniques were used to derive the necessary equations, and numerical methods were used, where required, to find solutions to the resulting nonlinear, two-point boundary value problems. The numerical results suggest a similarity between the fixed fundamental frequency solution and solutions in which a single frequency other than fundamental is held fixed. Such a similarity is shown to occur under special circumstances, and the knowledge of the fundamental solution in these cases makes it possible to calculate the solution to problems with constraints on frequencies other than the fundamental.

Weisshaar, T. A.↗
NASA NTRS1972

Intensity oscillation in H-alpha fine structure.

Using a new technique of directly measuring the intensity variation from the 16 mm time-lapse filtergram movies taken in the blue wing and in the line center of H-alpha, we found periodic intensity oscillations in the center of H-alpha supergranulation network, in rosette centers and in plage granules. The oscillatory period of intensity in the network is of the order of 170 plus or minus 44 seconds while in regions of stronger magnetic field, such as in plages and in rosettes, the period was found to be longer, on the order of 300 plus or minus 50 seconds. It is suggested that observed intensity oscillation in the rosette center is related to the shooting out of dark mottles from rosettes. Oscillatory intensity fluctuations have been also observed in the sunspot umbra.

Bhatnagar, A.↗
NASA NTRS1973

Parametric description of thermospheric ion composition results.

Results of an attempt to accumulate an ion composition data base for an international reference ionosphere (IRI) with the aid of polar-orbiting satellites. A progress report is presented on the preparation of the results from the Bennett RF ion spectrometer experiment on Ogo 4 and 6 using the most extensive set of thermospheric ion composition data yet available. An example of the pole-to-pole distributions of all ions detected by the spectrometer on Ogo 6 is given which shows considerable structure resulting from both altitude and latitude variations. Also, an example is given of the type of analysis made possible by the combined scope of the Ogo ion composition data base and the IRI statistical sorting routine.

Taylor, H. A., Jr.↗
NASA NTRS1973

Computer design of antenna reflectors.

Performance of paraboloidal antenna reflectors is adversely influenced by surface distortions from a perfect paraboloid, which cause pathlength variations of the RF energy beam. The structural design objective for the surface backup structure is to minimize the rms pathlength deviations for gravity loading. Two design approaches are illustrated and applied to sample antenna structure designs. These are a sectional search method and a virtual work/Lagrange multiplier method. Both are shown to provide useful performance improvements. The second, however, appears to be more suited for application to design of large antenna structures.

Levy, R.↗
NASA NTRS1975

Wave propagation and impact in composite materials

Anisotropic waves in composites are considered, taking into account wave speeds, wave surfaces, flexural waves in orthotropic plates, surface waves, edge waves in plates, and waves in coupled composite plates. Aspects of dispersion in composites are discussed, giving attention to pulse propagation and dispersion, dispersion in rods and plates, dispersion in a layered composite, combined material and structural dispersion, continuum theories for composites, and variational methods for periodic composites. The characteristics of attenuation and scattering processes are examined and a description is given of shock waves and impact problems in composites. A number of experiments are also reported.

Moon, F. C.↗
NASA NTRS1979

X-ray structure of clusters of galaxies

Observations of the X-ray structure of the Virgo and Coma clusters of galaxies are described which were made with a two-dimensional imaging X-ray telescope in a series of sounding-rocket flights. It is shown that the X-ray structure of these two clusters exhibits considerable variations in surface brightness, that the central region of the Coma cluster exhibits local variations in surface brightness or clumpiness, and that the centroid of the X-ray emission from the Coma cluster is near the supergiant elliptical galaxy NGC 4874 and is a local minimum in intensity. Positive evidence is obtained for the Fe XXVII-XXIV complex of lines in the spectrum of M87 in the Virgo cluster. It is suggested that the gas in the halo of M87 is isothermal and contains an iron abundance that is uniformly close to the cosmic value.

Gorenstein, P.↗
NASA NTRS1981

Structure of impulsive phase of solar flares from microwave observations

Variation of the microwave intensity and spectrum due to gyro-synchrotron radiation from semi-relativistic particles injected at the top of a closed magnetic loop is described. Using the recent high spatial resolution X-ray observations from the HXIS experiment of Solar Maximum Mission and from observations by the Very Large Array (VLA), it is shown that the high microwave brightness observed at the top of the flare loop can come about if (1) the magnetic field from top to footpoints of the loop does not increase very rapidly, and (2) the accelerated particles injected in the loop have a nearly isotropic pitch angle distribution. The limits on the rate of increase of the magnetic field and/or the average pitch angle depend on the geometry and location of the loop on the solar disk.

Petrosian, V.↗