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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 1,441 records · Page 80
All sourcesNASA NTRSDOE OSTI
DOE OSTI2011

Image registration with uncertainty analysis

In an image registration method, edges are detected in a first image and a second image. A percentage of edge pixels in a subset of the second image that are also edges in the first image shifted by a translation is calculated. A best registration point is calculated based on a maximum percentage of edges matched. In a predefined search region, all registration points other than the best registration point are identified that are not significantly worse than the best registration point according to a predetermined statistical criterion.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2015

Light-induced pyroelectric effect as an effective approach for ultrafast ultraviolet nanosensing

Zinc oxide is potentially a useful material for ultraviolet detectors; however, a relatively long response time hinders practical implementation. Here by designing and fabricating a self-powered ZnO/perovskite-heterostructured ultraviolet photodetector, the pyroelectric effect, induced in wurtzite ZnO nanowires on ultraviolet illumination, has been utilized as an effective approach for high-performance photon sensing. The response time is improved from 5.4 s to 53 μs at the rising edge, and 8.9 s to 63 μs at the falling edge, with an enhancement of five orders in magnitudes. The specific detectivity and the responsivity are both enhanced by 322%. This work provides a novel design to achieve ultrafast ultraviolet sensing at room temperature via light-self-induced pyroelectric effect. The newly designed ultrafast self-powered ultraviolet nanosensors may find promising applications in ultrafast optics, nonlinear optics, optothermal detections, computational memories and biocompatible optoelectronic probes.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Band to band tunneling in III-V semiconductors: Implications of complex band structure, strain, orientation, and off-zone center contribution

In this paper, we use a tight binding Hamiltonian with spin orbit coupling to study the real and complex band structures of relaxed and strained GaAs. A simple d orbital on-site energy shift coupled with appropriate scaling of the off-diagonal terms is found to correctly reproduce the band-edge shifts with strain. Four different 〈100〉 strain combinations, namely, uniaxial compressive, uniaxial tensile, biaxial compressive, and biaxial tensile strain are studied, revealing rich valence band structure and strong relative orientation dependent tunneling. It is found that complex bands are unable to provide unambiguous tunneling paths away from the Brillouin zone center. Tunneling current density distribution over the Brillouin zone is computed using non-equilibrium Green's function approach elucidating a physical picture of band to band tunneling.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

K-SHELL PHOTOABSORPTION OF MAGNESIUM IONS

X-ray photoabsorption cross sections have been computed for all magnesium ions with three or more electrons using the R-matrix method. A comparison with other available data for Mg II-Mg X shows good qualitative agreement in the resultant resonance shapes. However, for the lower ionization stages, and for singly ionized Mg II in particular, the previous R-matrix results overestimate the K-edge position due to the neglect of important orbital relaxation effects, and a global shift downward in photon energy of those cross sections is therefore warranted. We have found that the cross sections for Mg I and Mg II are further complicated by the M-shell (n = 3) occupancy. As a result, the treatment of spectator Auger decay of 1s → np resonances using a method based on multichannel quantum defect theory and an optical potential becomes problematic, making it necessary to implement an alternative, approximate treatment of Auger decay for neutral Mg I. The new cross sections are used to fit the Mg K edge in XMM-Newton spectra of the low-mass X-ray binary GS 1826-238, where most of the interstellar Mg is found to be in ionized form.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Surrogate models for plasma displacement and current in 3D perturbed magnetohydrodynamic equilibria in tokamaks

Abstract A numerical database of over one thousand perturbed three-dimensional (3D) equilibria has been generated, constructed based on the MARS-F (Liu et al 2000 Phys. Plasmas 7 3681) computed plasma response to the externally applied 3D field sources in multiple tokamak devices. Perturbed 3D equilibria with the n = 1–4 ( n is the toroidal mode number) toroidal periodicity are computed. Surrogate models are created for the computed perturbed 3D equilibrium utilizing model order reduction (MOR) techniques. In particular, retaining the first few eigenstates from the singular value decomposition (SVD) of the data is found to produce reasonably accurate MOR-representations for the key perturbed quantities, such as the perturbed parallel plasma current density and the plasma radial displacement. SVD also helps to reveal the core versus edge plasma response to the applied 3D field. For the database covering the conventional aspect ratio devices, about 95% of data can be represented by the truncated SVD-series with inclusion of only the first five eigenstates, achieving a relative error (RE) below 20%. The MOR-data is further utilized to train neural networks (NNs) to enable fast reconstruction of perturbed 3D equilibria, based on the two-dimensional equilibrium input and the 3D source field. The best NN-training is achieved for the MOR-data obtained with a global SVD approach, where the full set of samples used for NN training and testing are stretched and form a large matrix which is then subject to SVD. The fully connected multi-layer perceptron, with one or two hidden layers, can be trained to predict the MOR-data with less than 10% RE. As a key insight, a better strategy is to train separate NNs for the plasma response fields with different toroidal mode numbers. It is also better to apply MOR and to subsequently train NNs separately for conventional and low aspect ratio devices, due to enhanced toroidal coupling of Fourier spectra in the plasma response in the latter case.

3D equilibrium↗
DOE OSTI2026

Comparison of plasma response models for RMP effects on the divertor and scrape-off layer in KSTAR

Resonant magnetic perturbations (RMPs) are beneficial for control of edge localized modes (ELMs) in tokamaks. Nevertheless, a side effect of RMPs is the appearance of helical striations in the particle and heat loads onto divertor targets. The extent and field line connection of these striations is significantly altered by the plasma response to external perturbations. For an ELM suppressed high confinement (H-mode) plasma at KSTAR, magnetic footprints are computed by FLARE based on plasma response from GPEC, MARS-F, M3D-C1 and JOREK with substantial differences in the resulting footprints (from 2 cm to 14 cm). This is reflected in EMC3-EIRENE simulations of the resulting heat loads: it is found that either the peak value or the extent of the striations appears to be overestimated compared to infrared camera measurements. Reasonable agreement can only be achieved for the smallest footprint for lower input power and lower cross-field transport, or for higher upstream density and radiative power losses.

Frerichs, H. [Univ. of Wisconsin, Madison, WI (Uni↗
DOE OSTI2021

Abelian SU(N) 1 chiral spin liquids on the square lattice

In the physics of the Fractional Quantum Hall (FQH) effect, a zoo of Abelian topological phases can be obtained by varying the magnetic field. Aiming to reach the same phenomenology in spin-like systems, in this work we propose a family of SU(N)-symmetric models in the fundamental representation, on the square lattice with short-range interactions restricted to triangular units, a natural generalization for arbitrary N of an SU(3) model studied previously where time-reversal symmetry is broken explicitly. Guided by the recent discovery of SU(2) 1 and SU(3) 1 chiral spin liquids (CSL) on similar models we search for topological SU(N) 1 CSL in some range of the Hamiltonian parameters via a combination of complementary numerical methods such as exact diagonaliza- tions (ED), infinite density matrix renormalization group (iDMRG) and infinite Projected Entangled Pair State (iPEPS). Extensive ED on small (periodic and open) clusters up to N = 10 and an innovative SU(N)-symmetric version of iDMRG to compute entanglement spectra on (infinitely-long) cylinders in all topological sectors pro- vide unambiguous signatures of the SU(N) 1 character of the chiral liquids. An SU(4)-symmetric chiral PEPS, constructed in a manner similar to its SU(2) and SU(3) analogs, is shown to give a good variational ansatz of the N = 4 ground state, with chiral edge modes originating from the PEPS holographic bulk-edge correspondence. Finally, we discuss the possible observation of such Abelian CSL in ultracold atom setups where the possibility of varying N provides a tuning parameter similar to the magnetic field in the physics of the FQH effect.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2018

On the velocity dependence of the dislocation drag coefficient from phonon wind

The phonon wind mechanism, that is, the anharmonic interaction and scattering of phonons by a moving dislocation, imparts a drag force B (v,T,ρ) v on the dislocation. The drag coefficient B has been previously computed and experimentally determined only for dislocation velocities v much less than transverse sound speed, c T . In this paper we derive an expression for the velocity dependence of B up to c T in terms of the third-order elastic constants of the crystal. We compute the velocity dependence of the phonon wind contribution to B in the range 1%–90% c T for Al, Cu, Fe, and Nb in the isotropic Debye approximation, and to better accuracy than in earlier studies. It is proved that the drag coefficient for screw dislocations scattering transverse phonons is finite as v → c T , whereas B is divergent for edge dislocations scattering transverse phonons in the same limit. We compare our results to experimental results wherever possible and identify ways to validate and further improve the theory with more realistic phonon dispersion relations, MD simulations, and more accurate measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

Spectral Equivalence Properties of Higher-Order Tensor Product Finite Elements and Applications to Preconditioning

In this study, we present spectral equivalence results for higher-order tensor product edge-, face- and interior-based finite elements. Specifically, we show for certain choices of shape functions that the mass and stiffness matrices of the higher-order elements are spectrally equivalent to those for an assembly of lowest-order elements on the associated Gauss-Lobatto-Legendre mesh. Based on this equivalence, efficient preconditioners can be designed with favorable computational complexity. Numerical results are presented which confirm the theory and demonstrate the benefits of the equivalence results for overlapping Schwarz preconditioners.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2021

Elucidating the local atomic and electronic structure of amorphous oxidized superconducting niobium films

Qubits made from superconducting materials are a mature platform for quantum information science application, such as quantum computing. However, material-based losses are now a limiting factor in reaching the coherence times needed for applications. In particular, knowledge of the atomistic structure and properties of the circuit materials is needed to identify, understand, and mitigate material-based decoherence channels. Here, we characterize the atomic structure of the native oxide film formed on Nb resonators by comparing fluctuation electron microscopy experiments to density functional theory calculations, finding that an amorphous layer is consistent with an Nb 2 O 5 stoichiometry. Comparing x-ray absorption measurements at the Oxygen K edge with first-principles calculations, we find evidence of d-type magnetic impurities in our sample, known to cause impedance in proximal superconductors. This work identifies the structural and chemical composition of the oxide layer grown on Nb superconductors and shows that soft x-ray absorption can fingerprint magnetic impurities in these superconducting systems.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Numerical Modeling of a Two-Stage Ocean Current Turbine

The Equinox Ocean Turbines (EQOT) current energy converter has a unique design with power generation in two small-diameter turbines attached to the tips of a large-diameter passive rotor. This configuration offers some key advantages for capturing ocean currents. With no centrally placed generator, almost no reaction torque is required at the nacelle of the main large-diameter rotor, and the small-diameter tip turbine generators operate at a higher speed and lower torque. The physics that determine the performance and loads on the turbine are also unique. The interactions of the flow field between the two stages and the general architecture of the system cannot be captured with traditional mid-fidelity modeling tools. For design iterations and large sets of load cases, it is important to have mid-fidelity models that can capture the important phenomenon with enough accuracy to identify global trends. This work uses a limited set of high-fidelity computational fluid dynamics (CFD) simulations to help inform the selection of and construction of a custom mid-fidelity model. Mid-fidelity modeling approaches were verified by comparing key turbine performance quantities to those found with the CFD model. Hydrodynamic interactions of the two-stage rotor were identified through high-fidelity CFD modeling. This highlighted the impact of the main rotor tip vortex and wake on the secondary rotor apparent inflow. This results in a relative flow rotation and sharp deficit, that change the optimal secondary rotor rotation speed and adds unsteadiness to the blade loading respectively. Multiple mid-fidelity approaches were evaluated for their ability to capture these effects. A simple approximation of the combined-stage performance based on single-stage BEM provides a reasonable rough prediction, especially near the peak TSR values, with some larger discrepancy at higher TSRs. Predicting the combined-stage performance based on single-stage CFD data improves this prediction across the TSR range. Although the combined-stage modeling in OLAF was not successful in this stage of the project, it showed promise as a mid-fidelity method, assuming the parameters can be tuned to account for the significant differences in time and length scales between the main and secondary rotors. This may be addressed through code changes in future work. A significant finding from the OLAF work was the agreement between the vortex core radius values found independently via a parameter space search and via CFD. The technique of using single-stage secondary rotor BEM, with a custom inflow taken from single-stage main rotor CFD or OLAF, provides an efficient method to capture one-way coupled flow interactions. This method provided generally good predictions of the impact of the flow rotation on the secondary rotor but struggled to accurately predict the peaks of the unsteady load progression. Future work could include some superposition of a tuned main rotor trailing edge viscous wake into the custom inflow to better predict this interaction.

16 TIDAL AND WAVE POWER↗
DOE OSTI2016

MO-FG-202-01: A Fast Yet Sensitive EPID-Based Real-Time Treatment Verification System

Purpose: To create a real-time EPID-based treatment verification system which robustly detects treatment delivery and patient attenuation variations. Methods: Treatment plan DICOM files sent to the record-and-verify system are captured and utilized to predict EPID images for each planned control point using a modified GPU-based digitally reconstructed radiograph algorithm which accounts for the patient attenuation, source energy fluence, source size effects, and MLC attenuation. The DICOM and predicted images are utilized by our C++ treatment verification software which compares EPID acquired 1024×768 resolution frames acquired at ∼8.5hz from Varian Truebeam™ system. To maximize detection sensitivity, image comparisons determine (1) if radiation exists outside of the desired treatment field; (2) if radiation is lacking inside the treatment field; (3) if translations, rotations, and magnifications of the image are within tolerance. Acquisition was tested with known test fields and prior patient fields. Error detection was tested in real-time and utilizing images acquired during treatment with another system. Results: The computational time of the prediction algorithms, for a patient plan with 350 control points and 60×60×42cm^3 CT volume, is 2–3minutes on CPU and <27 seconds on GPU for 1024×768 images. The verification software requires a maximum of ∼9ms and ∼19ms for 512×384 and 1024×768 resolution images, respectively, to perform image analysis and dosimetric validations. Typical variations in geometric parameters between reference and the measured images are 0.32°for gantry rotation, 1.006 for scaling factor, and 0.67mm for translation. For excess out-of-field/missing in-field fluence, with masks extending 1mm (at isocenter) from the detected aperture edge, the average total in-field area missing EPID fluence was 1.5mm2 the out-of-field excess EPID fluence was 8mm^2, both below error tolerances. Conclusion: A real-time verification software, with EPID images prediction algorithm, was developed. The system is capable of performing verifications between frames acquisitions and identifying source(s) of any out-of-tolerance variations. This work was supported in part by Varian Medical Systems.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2017

Graphics processing unit accelerated phase field dislocation dynamics: Application to bi-metallic interfaces

We present the first high-performance computing implementation of the meso-scale phase field dislocation dynamics (PFDD) model on a graphics processing unit (GPU)-based platform. The implementation takes advantage of the portable OpenACC standard directive pragmas along with Nvidia's compute unified device architecture (CUDA) fast Fourier transform (FFT) library called CUFFT to execute the FFT computations within the PFDD formulation on the same GPU platform. The overall implementation is termed ACCPFDD-CUFFT. The package is entirely performance portable due to the use of OPENACC-CUDA inter-operability, in which calls to CUDA functions are replaced with the OPENACC data regions for a host central processing unit (CPU) and device (GPU). A comprehensive benchmark study has been conducted, which compares a number of FFT routines, the Numerical Recipes FFT (FOURN), Fastest Fourier Transform in the West (FFTW), and the CUFFT. The last one exploits the advantages of the GPU hardware for FFT calculations. The novel ACCPFDD-CUFFT implementation is verified using the analytical solutions for the stress field around an infinite edge dislocation and subsequently applied to simulate the interaction and motion of dislocations through a bi-phase copper-nickel (Cu–Ni) interface. It is demonstrated that the ACCPFDD-CUFFT implementation on a single TESLA K80 GPU offers a 27.6X speedup relative to the serial version and a 5X speedup relative to the 22-multicore Intel Xeon CPU E5-2699 v4 @ 2.20 GHz version of the code.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2023

Information Processing Capacity of Spintronic Oscillator

Physical reservoir computing is a framework that enables energy‐efficient information processing by using physical systems. Nonlinear dynamics in physical systems provide a computational capability that is unique to reservoirs. It is, however, difficult to find an appropriate task for a reservoir because of the complexity of nonlinear information processing. The information processing capacity has recently been used to clarify systematically the tasks that are solved by reservoirs; it quantifies the memory capacity of reservoirs in accordance with the order of nonlinearity. Herein, an experimental evaluation of the information processing capacity of a spintronic oscillator consisting of nanostructured ferromagnets is reported. The spintronic reservoir state is electrically manipulated by adding a delayed‐feedback circuit. The total capacity reaches a maximum of 5.6 at the edge of the echo state property. A trade‐off between the linear and nonlinear components of the capacity is also found. The result can be used to better understand the nonlinear information processing in reservoirs and to find good matches between reservoirs and tasks. As an example, a function‐approximation task is performed and it is found that it can be efficiently solved when the reservoir state is appropriately tuned so that its information processing capacity matches that of the task.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2019

Combining Pseudopotential and All Electron Density Functional Theory for the Efficient Calculation of Core Spectra Using a Multiresolution Approach

Broadly speaking, the calculation of core spectra such as electron energy loss spectra (EELS) at the level of density functional theory (DFT) usually relies on one of two approaches: conceptually more complex but computationally efficient projector augmented wave based approaches or more straightforward but computationally more intensive all electron (AE) based approaches. In this work we present an alternative method, which aims to find a middle ground between the two. Specifically, we have implemented an approach in the multiwavelet MADNESS molecular DFT code that permits a combination of atoms treated at the AE and pseudopotential (PSP) level. Atoms for which one wishes to calculate the core edges are thus treated at an AE level, while the remainder can be treated at the PSP level. This is made possible thanks to the multiresolution approach of MADNESS, which permits accurate and efficient calculations at both the AE and PSP level. Through examples of a small molecule and a carbon nanotube, this study demonstrates the potential applications of our approach.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗