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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

Prediction of service life of aircraft structural components using the half-cycle method

The service life of aircraft structural components undergoing random stress cycling was analyzed by the application of fracture mechanics. The initial crack sizes at the critical stress points for the fatigue-crack growth analysis were established through proof load tests. The fatigue-crack growth rates for random stress cycles were calculated using the half-cycle method. A new equation was developed for calculating the number of remaining flights for the structural components. The number of remaining flights predicted by the new equation is much lower than that predicted by the conventional equation.

Ko, William L.↗

A bayesian approach to estimate the size and structure of the broad-line region in active galactic nuclei using reverberation mapping data

This is the first paper in a series devoted to the systematic study of the size and structure of the broad-line region (BLR) in active galactic nuclei (AGNs) using reverberation mapping (RM) data. We employ a recently developed Bayesian approach that statistically describes the variability as a damped random walk process and delineates the BLR structure using a flexible disk geometry that can account for a variety of shapes, including disks, rings, shells, and spheres. We allow for the possibility that the line emission may respond non-linearly to the continuum, and we detrend the light curves when there is clear evidence for secular variation. We use a Markov Chain Monte Carlo implementation based on Bayesian statistics to recover the parameters and uncertainties for the BLR model. The corresponding transfer function is obtained self-consistently. We tentatively constrain the virial factor used to estimate black hole masses; more accurate determinations will have to await velocity-resolved RM data. Application of our method to RM data with Hβ monitoring for about 40 objects shows that the assumed BLR geometry can reproduce quite well the observed emission-line fluxes from the continuum light curves. We find that the Hβ BLR sizes obtained from our method are on average ∼20% larger than those derived from the traditional cross-correlation method. Nevertheless, we still find a tight BLR size-luminosity relation with a slope of α = 0.55 ± 0.03 and an intrinsic scatter of ∼0.18 dex. In particular, we demonstrate that our approach yields appropriate BLR sizes for some objects (such as Mrk 142 and PG 2130+099) where traditional methods previously encountered difficulties.

79 ASTRONOMY AND ASTROPHYSICS↗

Quantum random number generator

A system and method are provided to yield a QRNG based on homodyne detection of quantum noise (e.g., vacuum noise measured as shot noise) generated from a local oscillator, such as an LED. In one embodiment, a QRNG may be provided that is adjustable based on a control input to produce a random output that can be translated to one or more random data bits.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Deep material network via a quilting strategy: visualization for explainability and recursive training for improved accuracy

Recent developments integrating micromechanics and neural networks offer promising paths for rapid predictions of the response of heterogeneous materials with similar accuracy as direct numerical simulations. The deep material network is one such approaches, featuring a multi-layer network and micromechanics building blocks trained on anisotropic linear elastic properties. Once trained, the network acts as a reduced-order model, which can extrapolate the material’s behavior to more general constitutive laws, including nonlinear behaviors, without the need to be retrained. However, current training methods initialize network parameters randomly, incurring inevitable training and calibration errors. Here, we introduce a way to visualize the network parameters as an analogous unit cell and use this visualization to “quilt” patches of shallower networks to initialize deeper networks for a recursive training strategy. The result is an improvement in the accuracy and calibration performance of the network and an intuitive visual representation of the network for better explainability.

97 MATHEMATICS AND COMPUTING↗

Lattice Anharmonicity and Thermal Conductivity from Compressive Sensing of First-Principles Calculations

First-principles prediction of lattice thermal conductivity K L of strongly anharmonic crystals is a long-standing challenge in solid state physics. Using recent advances in information science, we propose a systematic and rigorous approach to this problem, compressive sensing lattice dynamics (CSLD). Compressive sensing is used to select the physically important terms in the lattice dynamics model and determine their values in one shot. Non-intuitively, high accuracy is achieved when the model is trained on first-principles forces in quasi-random atomic configurations. The method is demonstrated for Si, NaCl, and Cu 12 Sb 4 S 13 , an earth-abundant thermoelectric with strong phononphonon interactions that limit the room-temperature K L to values near the amorphous limit.

36 MATERIALS SCIENCE↗

Influence of screening on longitudinal-optical phonon scattering in quantum cascade lasers

We theoretically investigate the influence of screening on electron-longitudinal optical phonon scattering in quantum cascade lasers. By employing ensemble Monte Carlo simulations, an advanced screening model based on the random-phase approximation is compared to the more elementary Thomas-Fermi and Debye models. For mid-infrared structures, and to a lesser extent also for terahertz designs, the inclusion of screening is shown to affect the simulated current and optical output power. Furthermore, it is demonstrated that by using the electron temperature rather than the lattice temperature, the Debye model can be significantly improved.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Multiscale modeling of solute diffusion in triblock copolymer membranes

We develop a multiscale simulation model for diffusion of solutes through porous triblock copolymer membranes. The approach combines two techniques: self-consistent field theory (SCFT) to predict the structure of the self-assembled, solvated membrane and on-lattice kinetic Monte Carlo (kMC) simulations to model diffusion of solutes. Solvation is simulated in SCFT by constraining the glassy membrane matrix while relaxing the brush-like membrane pore coating against the solvent. The kMC simulations capture the resulting solute spatial distribution and concentration-dependent local diffusivity in the polymer-coated pores; we parameterize the latter using particle-based simulations. We apply our approach to simulate solute diffusion through nonequilibrium morphologies of a model triblock copolymer, and we correlate diffusivity with structural descriptors of the morphologies. We also compare the model’s predictions to alternative approaches based on simple lattice random walks and find our multiscale model to be more robust and systematic to parameterize. Furthermore, our multiscale modeling approach is general and can be readily extended in the future to other chemistries, morphologies, and models for the local solute diffusivity and interactions with the membrane.

36 MATERIALS SCIENCE↗

Characterization of Electron Microscopes with Binary Pseudo-random Multilayer Test Samples

Verification of the reliability of metrology data from high quality X-ray optics requires that adequate methods for test and calibration of the instruments be developed. For such verification for optical surface profilometers in the spatial frequency domain, a modulation transfer function (MTF) calibration method based on binary pseudo-random (BPR) gratings and arrays has been suggested [1] and [2] and proven to be an effective calibration method for a number of interferometric microscopes, a phase shifting Fizeau interferometer, and a scatterometer [5]. Here we describe the details of development of binary pseudo-random multilayer (BPRML) test samples suitable for characterization of scanning (SEM) and transmission (TEM) electron microscopes. We discuss the results of TEM measurements with the BPRML test samples fabricated from a WiSi2/Si multilayer coating with pseudo-randomly distributed layers. In particular, we demonstrate that significant information about the metrological reliability of the TEM measurements can be extracted even when the fundamental frequency of the BPRML sample is smaller than the Nyquist frequency of the measurements. The measurements demonstrate a number of problems related to the interpretation of the SEM and TEM data. Note that similar BPRML test samples can be used to characterize X-ray microscopes. Corresponding work with X-ray microscopes is in progress.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

An incremental database access method for autonomous interoperable databases

We investigated a number of design and performance issues of interoperable database management systems (DBMS's). The major results of our investigation were obtained in the areas of client-server database architectures for heterogeneous DBMS's, incremental computation models, buffer management techniques, and query optimization. We finished a prototype of an advanced client-server workstation-based DBMS which allows access to multiple heterogeneous commercial DBMS's. Experiments and simulations were then run to compare its performance with the standard client-server architectures. The focus of this research was on adaptive optimization methods of heterogeneous database systems. Adaptive buffer management accounts for the random and object-oriented access methods for which no known characterization of the access patterns exists. Adaptive query optimization means that value distributions and selectives, which play the most significant role in query plan evaluation, are continuously refined to reflect the actual values as opposed to static ones that are computed off-line. Query feedback is a concept that was first introduced to the literature by our group. We employed query feedback for both adaptive buffer management and for computing value distributions and selectivities. For adaptive buffer management, we use the page faults of prior executions to achieve more 'informed' management decisions. For the estimation of the distributions of the selectivities, we use curve-fitting techniques, such as least squares and splines, for regressing on these values.

Roussopoulos, Nicholas↗

Serial femtosecond crystallography of soluble proteins in lipidic cubic phase

Serial femtosecond crystallography (SFX) at X-ray free-electron lasers (XFELs) enables high-resolution protein structure determination using micrometre-sized crystals at room temperature with minimal effects from radiation damage. SFX requires a steady supply of microcrystals intersecting the XFEL beam at random orientations. An LCP–SFX method has recently been introduced in which microcrystals of membrane proteins are grown and delivered for SFX data collection inside a gel-like membrane-mimetic matrix, known as lipidic cubic phase (LCP), using a special LCP microextrusion injector. Here, it is demonstrated that LCP can also be used as a suitable carrier medium for microcrystals of soluble proteins, enabling a dramatic reduction in the amount of crystallized protein required for data collection compared with crystals delivered by liquid injectors. High-quality LCP–SFX data sets were collected for two soluble proteins, lysozyme and phycocyanin, using less than 0.1 mg of each protein.

59 BASIC BIOLOGICAL SCIENCES↗

A finite element propagation model for extracting normal incidence impedance in nonprogressive acoustic wave fields

A propagation model method for extracting the normal incidence impedance of an acoustic material installed as a finite length segment in a wall of a duct carrying a nonprogressive wave field is presented. The method recasts the determination of the unknown impedance as the minimization of the normalized wall pressure error function. A finite element propagation model is combined with a coarse/fine grid impedance plane search technique to extract the impedance of the material. Results are presented for three different materials for which the impedance is known. For each material, the input data required for the prediction scheme was computed from modal theory and then contaminated by random error. The finite element method reproduces the known impedance of each material almost exactly for random errors typical of those found in many measurement environments. Thus, the method developed here provides a means for determining the impedance of materials in a nonprogressirve wave environment such as that usually encountered in a commercial aircraft engine and most laboratory settings.

Watson, Willie R.↗

Euclid preparation: IV. Impact of undetected galaxies on weak-lensing shear measurements

In modern weak-lensing surveys, the common approach to correct for residual systematic biases in the shear is to calibrate shape measurement algorithms using simulations. These simulations must fully capture the complexity of the observations to avoid introducing any additional bias. In this paper we study the importance of faint galaxies below the observational detection limit of a survey. We simulate simplified Euclid VIS images including and excluding this faint population, and measure the shift in the multiplicative shear bias between the two sets of simulations. We measure the shear with three different algorithms: a moment-based approach, model fitting, and machine learning. We find that for all methods, a spatially uniform random distribution of faint galaxies introduces a shear multiplicative bias of the order of a few times 10 -3 . This value increases to the order of 10 -2 when including the clustering of the faint galaxies, as measured in the Hubble Space Telescope Ultra-Deep Field. The magnification of the faint background galaxies due to the brighter galaxies along the line of sight is found to have a negligible impact on the multiplicative bias. We conclude that the undetected galaxies must be included in the calibration simulations with proper clustering properties down to magnitude 28 in order to reach a residual uncertainty on the multiplicative shear bias calibration of a few times 10 -4 , in line with the 2 × 10 -3 total accuracy budget required by the scientific objectives of the Euclid survey. We propose two complementary methods for including faint galaxy clustering in the calibration simulations.

79 ASTRONOMY AND ASTROPHYSICS↗

Microscopic model approach to (n,xn) pre-equilibrium reactions for medium-energy neutrons

We report on microscopic model calculations of the first step of direct pre-equilibrium (n,xn) emission in neutron interaction with {sup 90}Zr and {sup 208}Pb below 20 MeV. Our model is based on both an accurate description of the target excited states, provided by the self-consistent random-phase approximation (RPA) method implemented with the Gogny D1S force, and well-established in-medium two-body forces to represent the residual nucleon-nucleon interaction for the inelastic processes. Two goals have been achieved: The present microscopic approach provides a unified description of collective state excitations and the pre-equilibrium one-step process, and our reaction model reproduces the available data fairly well, without any parameter adjustment.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Photoionization of Atomic Systems Using the Random-Phase Approximation Including Relativistic Interactions

Approximation methods are unavoidable in solving a many-electron problem. One of the most successful approximations is the random-phase approximation (RPA). Miron Amusia showed that it can be used successfully to describe atomic photoionization processes of many-electron atomic systems. In this article, the historical reasons behind the term “random-phase approximation” are revisited. A brief introduction to the relativistic RPA (RRPA) developed by Walter Johnson and colleagues is provided and some of its illustrative applications are presented.

74 ATOMIC AND MOLECULAR PHYSICS↗

SU-F-T-440: The Feasibility Research of Checking Cervical Cancer IMRT Pre- Treatment Dose Verification by Automated Treatment Planning Verification System

Purpose: To assess the preliminary feasibility of automated treatment planning verification system in cervical cancer IMRT pre-treatment dose verification. Methods: The study selected randomly clinical IMRT treatment planning data for twenty patients with cervical cancer, all IMRT plans were divided into 7 fields to meet the dosimetric goals using a commercial treatment planning system(PianncleVersion 9.2and the EclipseVersion 13.5). The plans were exported to the Mobius 3D (M3D)server percentage differences of volume of a region of interest (ROI) and dose calculation of target region and organ at risk were evaluated, in order to validate the accuracy automated treatment planning verification system. Results: The difference of volume for Pinnacle to M3D was less than results for Eclipse to M3D in ROI, the biggest difference was 0.22± 0.69%, 3.5±1.89% for Pinnacle and Eclipse respectively. M3D showed slightly better agreement in dose of target and organ at risk compared with TPS. But after recalculating plans by M3D, dose difference for Pinnacle was less than Eclipse on average, results were within 3%. Conclusion: The method of utilizing the automated treatment planning system to validate the accuracy of plans is convenientbut the scope of differences still need more clinical patient cases to determine. At present, it should be used as a secondary check tool to improve safety in the clinical treatment planning.

60 APPLIED LIFE SCIENCES↗

Is the Multigrid Method Fault Tolerant? The Two-Grid Case

The predicted reduced resiliency of next-generation high performance computers means that it will become necessary to take into account the effects of randomly occurring faults on numerical methods. Further, in the event of a hard fault occurring, a decision has to be made as to what remedial action should be taken in order to resume the execution of the algorithm. The action that is chosen can have a dramatic effect on the performance and characteristics of the scheme. Ideally, the resulting algorithm should be subjected to the same kind of mathematical analysis that was applied to the original, deterministic variant. The purpose of this work is to provide an analysis of the behaviour of the multigrid algorithm in the presence of faults. Multigrid is arguably the method of choice for the solution of large-scale linear algebra problems arising from discretization of partial differential equations and it is of considerable importance to anticipate its behaviour on an exascale machine. The analysis of resilience of algorithms is in its infancy and the current work is perhaps the first to provide a mathematical model for faults and analyse the behaviour of a state-of-the-art algorithm under the model. It is shown that the Two Grid Method fails to be resilient to faults. Attention is then turned to identifying the minimal necessary remedial action required to restore the rate of convergence to that enjoyed by the ideal fault-free method.

97 MATHEMATICS AND COMPUTING↗

THE BUILDUP OF A SCALE-FREE PHOTOSPHERIC MAGNETIC NETWORK

We use a global Monte Carlo simulation of the formation of the solar photospheric magnetic network to investigate the origin of the scale invariance characterizing magnetic flux concentrations visible on high-resolution magnetograms. The simulations include spatially and temporally homogeneous injection of small-scale magnetic elements over the whole photosphere, as well as localized episodic injection associated with the emergence and decay of active regions. Network elements form in response to cumulative pairwise aggregation or cancellation of magnetic elements, undergoing a random walk on the sphere and advected on large spatial scales by differential rotation and a poleward meridional flow. The resulting size distribution of simulated network elements is in very good agreement with observational inferences. We find that the fractal index and size distribution of network elements are determined primarily by these post-emergence surface mechanisms, and carry little or no memory of the scales at which magnetic flux is injected in the simulation. Implications for models of dynamo action in the Sun are briefly discussed.

79 ASTRONOMY AND ASTROPHYSICS↗

Maximum a posteriori Ly α estimator (MAPLE): band power and covariance estimation of the 3D Ly α forest power spectrum

We present a novel maximum a posteriori estimator to jointly estimate band powers and the covariance of the three-dimensional power spectrum (P3D) of Ly $\alpha$ forest flux fluctuations, called MAPLE. Our Wiener-filter based algorithm reconstructs a window-deconvolved P3D in the presence of complex survey geometries typical for Ly $\alpha$ surveys that are sparsely sampled transverse to and densely sampled along the line of sight. We demonstrate our method on idealized Gaussian random fields with two selection functions: (i) a sparse sampling of 30 background sources per square degree designed to emulate the current Dark Energy Spectroscopic Instrument; (ii) a dense sampling of 900 background sources per square degree emulating the upcoming Prime Focus Spectrograph Galaxy Evolution Survey. Our proof-of-principle shows promise, especially since the algorithm can be extended to marginalize jointly over nuisance parameters and contaminants, i.e. offsets introduced by continuum fitting. Our code is implemented in JAX and is publicly available on GitHub.

79 ASTRONOMY AND ASTROPHYSICS↗