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At least 1,549 records · Page 86

Influence of misfit dislocations on ionic conductivity at oxide interfaces

Mismatched complex oxide thin films and heterostructures have gained significant traction for use as electrolytes in intermediate temperature solid oxide fuel cells, wherein interfaces exhibit variation in ionic conductivity as compared to the bulk. Although misfit dislocations present at interfaces in these structures impact ionic conductivity, the fundamental mechanisms responsible for this effect are not well understood. To this end, a kinetic lattice Monte Carlo (KLMC) model was developed to trace oxygen vacancy diffusion at misfit dislocations in SrTiO 3 /BaZrO 3 heterostructures and elucidate the atomistic mechanisms governing ionic diffusion at oxide interfaces. The KLMC model utilized oxygen vacancy migration energy barriers computed using molecular statics. While some interfaces promote oxygen vacancy diffusion, others impede their transport. Fundamental factors such as interface layer chemistry, misfit dislocation structure, and starting and ending sites of migrating ions play a crucial role in oxygen diffusivity. Molecular dynamics (MD) simulations were further performed to support qualitative trends for oxygen vacancy diffusion. Overall, the agreement between KLMC and MD is quite good, though MD tends to predict slightly higher conductivities, perhaps a reflection of nuanced structural relaxations that are not captured by KLMC. The current framework comprising KLMC modeling integrated with molecular statics offers a powerful tool to perform mechanistic studies focused on ionic transport in thin film oxide electrolytes and facilitate their rational design.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Multi-Formalism Modeling for Disaster Resilience, Forecasting, and Response

Disaster response preparedness, risk mitigation, and effective post-event response are critical for national security, public health, and economic integrity. For areas impacted by extreme events, timely and accurate impact assessments of lifeline infrastructures are critical. Traditional disaster management and situational awareness platforms are not capable of handling the massive influx of available information from traditional and non-traditional sources. Next-generation analytic assessment approaches, where use of dynamically sourced, heterogeneous data with near real-time availability are integrated into a continually-updated analytics framework. The objective of this research was to develop a foundational multi-formalism modeling platform to integrate novel data sources for use in improving situational awareness after a disaster event. Specifically, to 1) provide an architecture for machine-learning based data fusion various multi-sensor datasets; 2) classify, geolocate, and temporally bin novel data sources for use in spatially-enabled machine-learning based data fusion; and 3) derive confidence-based observation data with machine-learning based prediction to fill spatial and temporal observation gaps. This project developed a reusable cloud-based pipeline architecture for ingesting, storing, and analyzing relevant data, executing a range of deep-learning models, and visualize the information geographically. The pipeline development was informed by previous PNNL investments (StreamKit) and built upon leading-edge technologies consisting of: 1) a raw datastore; 2) a data enrichment pipeline with custom and third-party analytics; 3) enriched data storage; and 4) a custom UI to display the enriched data. Machine learning/deep learning models were selected and tested to classify social media images for relevancy and presence of flood waters. Our custom trained relevance models were run on a validation dataset and the overall accuracy of the relevance classifiers ranged from 65% to 90%. We found that convolutional neural network (CNN) models were both faster and more accurate than more traditional machine learning models. We applied the relevance classifier to remove non-relevant images and then undertook a limited training of CNN models to detect flood on ~1,800 labeled images. The testing accuracy of the flood detection models were ~88%. To improve the geographic location of both social media and oblique aerial images we tested a multi-step workflow built on a pre-trained deep-learning model. To identify similarity features from test and reference scenes, we applied the Xception and Faiss models to a set of test images with inaccurate spatial locations, as well and precisely-located reference scenes from the general area. Matching reference scenes to the test scenes with the closest similarity index had limited success in improving the precision of test scene location and additional methods have been identified for testing. Data fusion between authoritative geographic data (satellite imaging) and non-authoritative crowdsourced data is an underlying theme throughout this research and methods are tested bring these data to a common geographic form through feature matching and transformations. The automated extraction of supporting information for disaster response from oblique aerial images or ground-level social media images is accomplished through semantic image segmentation and transformation. The non-authoritative data are used to validate the authoritative data collections and processing and optionally, t+0 flood models. In addition, the common form geographic data are combined with other static landscape features to develop spatially-explicit training vectors used in deep generative statistical inference models to develop complex non-linear relationships in static and dynamic data and ultimately derive a spatially continuous and probabilistic assessment of flood damage with the event domain.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Cosmic-ray heating of cooling flows - A critical analysis

It is shown that a combination of MHD wave-mediated cosmic ray heating and thermal conduction could balance cooling in intracluster media and substantially reduce the rate of inflow. The appropriate system of steady state equations is solved, including a new self-consistent formulation for the cosmic-ray diffusivity. Models which can produce substantial positive temperature gradients in static configurations are found when conduction is reduced by a factor of 10 or more. These models have too-flat thermal pressure profiles compared with observations. It is found that cosmic-ray heating is unlikely either to stabilize positive density perturbations against condensation or to contribute appreciably to the powering of the optical filaments.

Loewenstein, Michael↗

Experimental Investigation of Aeroelastic Deformation of Slender Wings at Supersonic Speeds Using a Video Model Deformation Measurement Technique

A video-based photogrammetric model deformation system was established as a dedicated optical measurement technique at supersonic speeds in the NASA Langley Research Center Unitary Plan Wind Tunnel. This system was used to measure the wing twist due to aerodynamic loads of two supersonic commercial transport airplane models with identical outer mold lines but different aeroelastic properties. One model featured wings with deflectable leading- and trailing-edge flaps and internal channels to accommodate static pressure tube instrumentation. The wings of the second model were of single-piece construction without flaps or internal channels. The testing was performed at Mach numbers from 1.6 to 2.7, unit Reynolds numbers of 1.0 million to 5.0 million, and angles of attack from -4 degrees to +10 degrees. The video model deformation system quantified the wing aeroelastic response to changes in the Mach number, Reynolds number concurrent with dynamic pressure, and angle of attack and effectively captured the differences in the wing twist characteristics between the two test articles.

Erickson, Gary E.↗

Automated tuning of airframe vibration by structural optimization

Numerical optimization techniques are used to modify the dynamic response at a specified point(s) of a helicopter airframe structure due to a steady state narrow band excitation. Calculation of steady state vibration amplitude is reduced to the solution of linear equations with complex coefficients. The sensitivity of the dynamic amplitudes with respect to the structural parameter perturbations can be computed with the same technique as the one used in the static displacement sensitivity without requiring eigenvector sensitivity. Approximate models for critical structural responses are created based on the sensitivity data to reduce the amount of computational effort and to enable the design of structures of practical scale and complexity. This approach is general in that it accommodates static, dynamic, and frequency constraints simultaneously as long as their computational models are available. It can be used in optimizing mass distribution as well as stiffness modifications of practical structures.

Miura, H.↗

Modal representations in control/structure interaction

When control/structure interaction problems are examined, a standard method for representing the structure is to choose a truncated set of normal modes calculated from either a finite-element or a distributed-parameter model. However, the normal modes can neglect important static information about the structure. Using a set of fixed interface modes results in a much more accurate closed-loop model, even when relatively low-bandwidth controllers are used. The fixed interface modes are calculated with control input degrees of freedom held fixed, and standard finite-element software can be used. Illustrative examples include a simple hinged beam and a complex model of the phase-I Space Station configuration.

Blelloch, Paul A.↗

Longitudinal and Lateral Stability Characteristics of a 0.04-Scale Model of the Lockheed F-104A Airplane at Mach Numbers of 1.82 and 2.01. Coord. No. AF-245

An investigation has been made in the Langley 4 by 4-foot supersonic pressure tunnel at Mach numbers of 1.82 and 2.01 to determine the longitudinal and lateral static-stability characteristics of a 0.04-scale model of the Lockheed F-104A airplane. The effects of a modified vertical tail, several ventral-fin arrangements, and several external store arrangements were also determined. The tests were made at Reynolds numbers of 1.02 (exp 6) and 1.382 (exp 6), respectively, based on the wing mean geometric chord. The tests were made of combined angles of attack and sideslip that varied from about -4 deg. to about 20 deg.

Spearman, M. Leroy↗

Body-freedom flutter of a 1/2-scale forward-swept-wing model, an experimental and analytical study

The aeroelastic phenomenon known as body-freedom flutter (BFF), a dynamic instability involving aircraft-pitch and wing-bending motions which, though rarely experienced on conventional vehicles, is characteristic of forward swept wing (FSW) aircraft was investigated. Testing was conducted in the Langley transonic dynamics tunnel on a flying, cable-mounted, 1/2-scale model of a FSW configuration with and without relaxed static stability (RSS). The BFF instability boundaries were found to occur at significantly lower airspeeds than those associated with aeroelastic wing divergence on the same model. For those cases with RSS, a canard-based stability augmentation system (SAS) was incorporated in the model. This SAS was designed using aerodynamic data measured during a preliminary tunnel test in which the model was attached to a force balance. Data from the subsequent flutter test indicated that BFF speed was not dependent on open-loop static margin but, rather, on the equivalent closed-loop dynamics provided by the SAS. Servo-aeroelastic stability analyses of the flying model were performed using a computer code known as SEAL and predicted the onset of BFF reasonably well.

Chipman, R.↗

Effect of Blowing on Boundary Layer of Scarf Inlet

When aircraft operate in stationary or low speed conditions, airflow into the engine accelerates around the inlet lip and pockets of turbulence that cause noise and vibration can be ingested. This problem has been encountered with engines equipped with the scarf inlet, both in full scale and in model tests, where the noise produced during the static test makes it difficult to assess the noise reduction performance of the scarf inlet. NASA Langley researchers have implemented boundary layer control in an attempt to reduce the influence of the flow nonuniformity in a 12-in. diameter model of a high bypass fan engine mounted in an anechoic chamber. Static pressures and boundary layer profiles were measured in the inlet and far field acoustic measurements were made to assess the effectiveness of the blowing treatment. The blowing system was found to lack the authority to overcome the inlet distortions. Methods to improve the implementation of boundary layer control to reduce inlet distortion are discussed.

Gerhold, Carl H.↗

Results of the 0.015 scale space shuttle vehicle orbiter test (OA17) in the NASA low turbulence pressure tunnel

Experimental aerodynamic investigations were conducted on a 0.015 scale model of the Space Shuttle Orbiter in a low turbulence pressure tunnel. Six component static aerodynamic force and moment data were recorded while the model was pitched from -2 deg to +26 deg angle of attack. The yaw angles during these pitch sweeps were 0 deg, -5 deg, and 7 1/2 deg. Base, sting cavity, vertical tail, wing trailing edge, and elevon pressures, as well as elevon and rudder hinge moment data were also obtained. The tests were conducted at a nominal Mach number of 0.25. The Reynolds number was varied throughout the test program from 2.5 million to 4.7 million to 10.0 million to 12.5 million.

Milam, M. D.↗

A comparison of multiprocessor scheduling methods for iterative data flow architectures

A comparative study is made between the Algorithm to Architecture Mapping Model (ATAMM) and three other related multiprocessing models from the published literature. The primary focus of all four models is the non-preemptive scheduling of large-grain iterative data flow graphs as required in real-time systems, control applications, signal processing, and pipelined computations. Important characteristics of the models such as injection control, dynamic assignment, multiple node instantiations, static optimum unfolding, range-chart guided scheduling, and mathematical optimization are identified. The models from the literature are compared with the ATAMM for performance, scheduling methods, memory requirements, and complexity of scheduling and design procedures.

Storch, Matthew↗

Parallel three-dimensional simulations of quasi-static elastoplastic solids

Hypo-elastoplasticity is a flexible framework for modeling the mechanics of many hard materials under small elastic deformation and large plastic deformation. Under typical loading rates, most laboratory tests of these materials happen in the quasi-static limit, but there are few existing numerical methods tailor-made for this physical regime. Here, we extend to three dimensions a recent projection method for simulating quasi-static hypo-elastoplastic materials. The method is based on a mathematical correspondence to the incompressible Navier–Stokes equations, where the projection method of Chorin (1968) is an established numerical technique. We develop and utilize a three-dimensional parallel geometric multigrid solver employed to solve a linear system for the quasi-static projection. Our method is tested through simulation of three-dimensional shear band nucleation and growth, a precursor to failure in many materials. As an example system, we employ a physical model of a bulk metallic glass based on the shear transformation zone theory, but the method can be applied to any elastoplasticity model. We consider several examples of three-dimensional shear banding, and examine shear band formation in physically realistic materials with heterogeneous initial conditions under both simple shear deformation and boundary conditions inspired by friction welding.

97 MATHEMATICS AND COMPUTING↗

Hub flexibility effects on propfan vibration

The significance of hub flexibility in the nonlinear static and dynamic analyses of advanced turboprop blades is assessed. The chosen blade is the 0.175 scale model of the GE-A7-B4 unducted fan blade. A procedure for coupling the effective hub stiffness matrix to an MSC/NASTRAN finite element model is defined and verified. A series of nonlinear static and dynamic analyses are conducted on the blade for both rigid and flexible hug configurations. Results indicate that hub flexibility is significant in the nonlinear static and dynamic analyses of the GE-A7-B4. In order to insure accuracy in analyses of other blades, hub flexibility should always be considered.

Ernst, Michael A.↗

Illuminating Ligand Field Contributions to Molecular Qubit Spin Relaxation via T 1 Anisotropy

Electron spin relaxation in paramagnetic transition metal complexes constitutes a key limitation on the growth of molecular quantum information science. However, there exist very few experimental observables for probing spin relaxation mechanisms, leading to a proliferation of inconsistent theoretical models. Here we demonstrate that spin relaxation anisotropy in pulsed electron paramagnetic resonance is a powerful spectroscopic probe for molecular spin dynamics across a library of highly coherent Cu(II) and V(IV) complexes. Here, neither the static spin Hamiltonian anisotropy nor contemporary computational models of spin relaxation are able to account for the experimental T 1 anisotropy. Through analysis of the spin-orbit coupled wavefunctions, we derive an analytical theory for the T 1 anisotropy that accurately reproduces the average experimental anisotropy of 2.5. Furthermore, compound-by-compound deviations from the average anisotropy provide a promising approach for observing specific ligand field and vibronic excited state coupling effects on spin relaxation. Finally, we present a simple density functional theory workflow for computationally predicting T 1 anisotropy. Analysis of spin relaxation anisotropy leads to deeper fundamental understanding of spin-phonon coupling and relaxation mechanisms, promising to complement temperature-dependent relaxation rates as a key metric for understanding molecular spin qubits.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Survey of current situation in radiation belt modeling

The study of Earth's radiation belts is one of the oldest subjects in space physics. Despite the tremendous progress made in the last four decades, we still lack a complete understanding of the radiation belts in terms of their configurations, dynamics, and detailed physical accounts of their sources and sinks. The static nature of early empirical trapped radiation models, for examples, the NASA AP-8 and AE-8 models, renders those models inappropriate for predicting short-term radiation belt behaviors associated with geomagnetic storms and substorms. Due to incomplete data coverage, these models are also inaccurate at low altitudes (e.g., <1000 km) where many robotic and human space flights occur. The availability of radiation data from modern space missions and advancement in physical modeling and data management techniques have now allowed the development of new empirical and physical radiation belt models. In this paper, we will review the status of modern radiation belt modeling. Published by Elsevier Ltd on behalf of COSPAR.

Protons↗

Continuum Modeling of Inductor Magnetic Hysteresis and Eddy Currents in Resonant Circuits

This paper presents a high-fidelity finite-element modeling technique for magnetic hysteresis and eddy current losses in toroid inductors. The method is based on the separation of ferromagnetic loss characteristics into two components: a quasi-static hysteresis component and a dynamic eddy current component. The Preisach model is used to describe the quasi-static magnetic hysteresis behavior of the core, providing strong guarantees on the reproducibility of the experimentally measured characteristics. This model is used to represent the magnetic field constitutive relationships within a finite-element framework combining the effects of hysteresis and eddy currents in a unified dynamic simulation. The finite-element model of the toroid is used as a high-order inductor model coupled to a resonant circuit simulation. The modeling technique is validated through experimental measurements on two different series RLC circuits. The first circuit is based on an M19 electrical steel toroid having resonant frequency near 200 Hz. The second circuit is based on a T38 ferrite toroid having a resonant frequency near 10 kHz. The models agree closely with the measured voltages, currents, and losses. The models also successfully predict discontinuities in the measured frequency responses due to the existence of bistable operating regimes.

42 ENGINEERING↗

Phase transitions and critical properties in the antiferromagnetic Ising model on a layered triangular lattice with allowance for intralayer next-nearest-neighbor interactions

The phase transitions (PTs) and critical properties of the antiferromagnetic Ising model on a layered (stacked) triangular lattice have been studied by the Monte Carlo method using a replica algorithm with allowance for the next-nearest-neighbor interactions. The character of PTs is analyzed using the histogram technique and the method of Binder cumulants. It is established that the transition from the disordered to paramagnetic phase in the adopted model is a second-order PT. Static critical exponents of the heat capacity (α), susceptibility (γ), order parameter (β), and correlation radius (ν) and the Fischer exponent η are calculated using the finite-size scaling theory. It is shown that (i) the antiferromagnetic Ising model on a layered triangular lattice belongs to the XY universality class of critical behavior and (ii) allowance for the intralayer interactions of next-nearest neighbors in the adopted model leads to a change in the universality class of critical behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗