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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

XRD and EBSD analysis of anisotropic microstructure development in cold rolled F138 stainless steel

The microstructural characteristics of deformation-processed materials highly influence their mechanical properties. For a complete characterization of a microstructure both local and global information must be gathered, which requires the combination of different analysis techniques. X-ray and Electron Backscatter Diffraction were used in the present paper to characterize the deformation induced in a cold rolled F138 austenitic stainless steel sample. The results obtained using laboratory and synchrotron X-ray sources were compared and combined with EBSD quantitative results, allowing the global and local characterization and orientation dependence of the deformation microstructure. A particular behavior was observed in the XRD data corresponding to the planes with < 220 >∥ ND, likely due to a smaller amount of defects accumulated in the crystals with that particular orientation. EBSD was used to separate the scans data into partitions and to calculate misorientation variables and parameters, showing that this behavior can be attributed to a combination of larger grain sizes, lower local boundary misorientations and dislocation densities for crystals having < 220 >∥ ND. Several conclusions, of general validity for the evaluation of microstructure anisotropy, can be extracted from the results. - Highlights: •Combined XRD and EBSD for studying microstructure gave a superb insight on anisotropic accumulation of defects. •W-H and CMWP methods were applied for checking consistency of results. •XRD showed that a smaller accumulation of defects occurred in crystals with < 220 >∥ ND. •High brilliance X-ray beam allowed to study the anisotropy of defect accumulation.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Higher-order finite-difference formulation of periodic Orbital-free Density Functional Theory

We present a real-space formulation and higher-order finite-difference implementation of periodic Orbital-free Density Functional Theory (OF-DFT). Specifically, utilizing a local reformulation of the electrostatic and kernel terms, we develop a generalized framework for performing OF-DFT simulations with different variants of the electronic kinetic energy. In particular, we propose a self-consistent field (SCF) type fixed-point method for calculations involving linear-response kinetic energy functionals. In this framework, evaluation of both the electronic ground-state and forces on the nuclei are amenable to computations that scale linearly with the number of atoms. We develop a parallel implementation of this formulation using the finite-difference discretization. We demonstrate that higher-order finite-differences can achieve relatively large convergence rates with respect to mesh-size in both the energies and forces. Additionally, we establish that the fixed-point iteration converges rapidly, and that it can be further accelerated using extrapolation techniques like Anderson's mixing. We validate the accuracy of the results by comparing the energies and forces with plane-wave methods for selected examples, including the vacancy formation energy in Aluminum. Overall, the suitability of the proposed formulation for scalable high performance computing makes it an attractive choice for large-scale OF-DFT calculations consisting of thousands of atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Excitations of Intercalated Metal Monolayers in Transition Metal Dichalcogenides

We combine Raman scattering spectroscopy and lattice dynamics calculations to reveal the fundamental excitations of the intercalated metal monolayers in the Fe x TaS 2 (x = 1/4, 1/3) family of materials. Both in- and out-of-plane modes are identified, each of which has trends that depend upon the metal–metal distance, the size of the van der Waals gap, and the metal-to-chalcogenide slab mass ratio. We test these trends against the response of similar systems, including Cr-intercalated NbS 2 and RbFe(SO 4 ) 2 , and demonstrate that the metal monolayer excitations are both coherent and tunable. Here, we discuss the consequences of intercalated metal monolayer excitations for material properties and developing applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Over 50% reduction in the formation energy of Co-based Heusler alloy films by two-dimensional crystallisation

Crystalline formation of high magnetic-moment thin films through low-temperature annealing processes compatible with current semiconductor technologies is crucial for the development of next generation devices, which can utilise the spin degree of freedom. Utilising in-situ aberration corrected electron microscopy, we report a 235 °C crystallisation process for a Co-based ternary Heusler-alloy film whose initial nucleation is initiated by as few as 27 unit cells. The crystallisation occurs preferentially in the 〈111〉 crystalline directions via a two-dimensional (2D) layer-by-layer growth mode; resulting in grains with [110] surface normal and [111] plane facets. This growth process was found to reduce the crystallisation energy by more than 50% when compared to bulk samples whilst still leading to the growth of highly ordered grains expected to give a high degree of spin-polarisation. Our findings suggest that the 2D layer-by-layer growth minimises the crystallisation energy allowing for the possible implementation of highly spin-polarised alloy films into current chip and memory technologies.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2024

Localized phase contrast imaging at the Wendelstein 7-X stellarator

In its basic form, phase contrast imaging (PCI) provides line-integrated measurements of electron density fluctuations in plasmas. As turbulent fluctuations in magnetically confined plasmas have wave vectors almost perpendicular to the background magnetic field, the signals scattered by fluctuations from different parts of the PCI line-of-sight (LoS) are spatially separated in focal planes of the plasma. This allows localized PCI measurements by placing a mask in such a plane, to only permit signals from specific parts of the LoS to reach the PCI detectors. The present paper describes modeling and design of localization masks for the PCI system at the Wendelstein 7-X (W7-X) stellarator as well as the first results obtained using the masks in the recent long-pulse W7-X experimental campaign. During this project, we have extended the theory describing the mask response within the Fraunhofer diffraction model. As a novel development, we show from first principles that the mask response is determined by the fraction of power of the scattered beam spots that passes the mask. These insights have been used to select the W7-X mask design, consisting of a circular cutout, allowing the unscattered beam spot to pass the mask, with wedges covering a fixed angular range outside the central cutout. In the recent W7-X experimental campaign, the masks have verified the location of the main turbulence features observed by the PCI system and provided new information about the location of short-wavelength magnetohydrodynamic modes.

Physics↗
DOE OSTI2015

FAR-INFRARED DUST TEMPERATURES AND COLUMN DENSITIES OF THE MALT90 MOLECULAR CLUMP SAMPLE

We present dust column densities and dust temperatures for ∼3000 young, high-mass molecular clumps from the Millimeter Astronomy Legacy Team 90 GHz survey, derived from adjusting single-temperature dust emission models to the far-infrared intensity maps measured between 160 and 870 μm from the Herschel/Herschel Infrared Galactic Plane Survey (Hi-Gal) and APEX/APEX Telescope Large Area Survey of the Galaxy (ATLASGAL) surveys. We discuss the methodology employed in analyzing the data, calculating physical parameters, and estimating their uncertainties. The population average dust temperature of the clumps are 16.8 ± 0.2 K for the clumps that do not exhibit mid-infrared signatures of star formation (quiescent clumps), 18.6 ± 0.2 K for the clumps that display mid-infrared signatures of ongoing star formation but have not yet developed an H ii region (protostellar clumps), and 23.7 ± 0.2 and 28.1 ± 0.3 K for clumps associated with H ii and photo-dissociation regions, respectively. These four groups exhibit large overlaps in their temperature distributions, with dispersions ranging between 4 and 6 K. The median of the peak column densities of the protostellar clump population is 0.20 ± 0.02 g cm{sup −2}, which is about 50% higher compared to the median of the peak column densities associated with clumps in the other evolutionary stages. We compare the dust temperatures and column densities measured toward the center of the clumps with the mean values of each clump. We find that in the quiescent clumps, the dust temperature increases toward the outer regions and that these clumps are associated with the shallowest column density profiles. In contrast, molecular clumps in the protostellar or H ii region phase have dust temperature gradients more consistent with internal heating and are associated with steeper column density profiles compared with the quiescent clumps.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Collisionless losses of fast ions in the Divertor Tokamak Test due to toroidal field ripple

In this paper we analyze fast ion motion in the Divertor Tokamak Test device. DTT is planned to be heated through a mix of 45 MW heating power, including 15 MW negative-ion-based Neutral Beam heating (NNBI) which is currently being developed by Consorzio RFX in Padova, Italy. An issue for DTT is that a Toroidal Field (TF) ripple with a maximum value of about 0.42% (with respect to the on-axis magnetic field $B_0$) is expected on the low-field side (LFS), and this ripple interacts with fast ions through rather well-known phenomena of ripple-precession resonances, in addition to prompt losses of ions which do not complete a full orbit in the poloidal plane. We will show that, with the planned geometry of NNBI, prompt losses are negligible, and ripple-precession losses amount to a maximum 0.15%. The calculations are performed with the guiding center code ORBIT using two different equilibria, and a beam with energy 400 keV and injection angle $\alpha_{inj} = 40^{\circ}$ (measured w.r.t. the first wall), which corresponds to a pitch of injected particles $\lambda = v_{\parallel}/v \approx \sin{\alpha_{inj}} = 0.65$. Main resonances are of the form $\omega_b - n N \omega_d = 0$, $\omega_b$ and $\omega_d$ being the bounce and precession frequency, respectively, $N=18$ the ripple periodicity and $3 \le n \le 6$ are the toroidal wavenumbers of the resonances. Although collisionless interaction with the TF ripple does not pose a serious threat to the NNBI project, an open question remains whether the presence of these resonances will interact with fast particles accelerated by \alfven eigenmodes, and if stochastization of the resonances is possible in DTT, as it was observed in the past in TORE SUPRA.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

COHERENTLY DEDISPERSED GATED IMAGING OF MILLISECOND PULSARS

Motivated by the need for rapid localization of newly discovered faint millisecond pulsars (MSPs), we have developed a coherently dedispersed gating correlator. This gating correlator accounts for the orbital motions of MSPs in binaries while folding the visibilities with a best-fit topocentric rotational model derived from a periodicity search in a simultaneously generated beamformer output. Unique applications of the gating correlator for sensitive interferometric studies of MSPs are illustrated using the Giant Metrewave Radio Telescope (GMRT) interferometric array. We could unambiguously localize five newly discovered Fermi MSPs in the on-off gated image plane with an accuracy of {+-}1''. Immediate knowledge of such a precise position enables the use of sensitive coherent beams of array telescopes for follow-up timing observations which substantially reduces the use of telescope time ({approx}20 Multiplication-Sign for the GMRT). In addition, a precise a priori astrometric position reduces the effect of large covariances in the timing fit (with discovery position, pulsar period derivative, and an unknown binary model), which in-turn accelerates the convergence to the initial timing model. For example, while fitting with the precise a priori position ({+-}1''), the timing model converges in about 100 days, accounting for the effect of covariance between the position and pulsar period derivative. Moreover, such accurate positions allow for rapid identification of pulsar counterparts at other wave bands. We also report a new methodology of in-beam phase calibration using the on-off gated image of the target pulsar, which provides optimal sensitivity of the coherent array removing possible temporal and spacial decoherences.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Fast leaf-fitting with generalized underdose/overdose constraints for real-time MLC tracking

Purpose: Real-time multileaf collimator (MLC) tracking is a promising approach to the management of intrafractional tumor motion during thoracic and abdominal radiotherapy. MLC tracking is typically performed in two steps: transforming a planned MLC aperture in response to patient motion and refitting the leaves to the newly generated aperture. One of the challenges of this approach is the inability to faithfully reproduce the desired motion-adapted aperture. This work presents an optimization-based framework with which to solve this leaf-fitting problem in real-time. Methods: This optimization framework is designed to facilitate the determination of leaf positions in real-time while accounting for the trade-off between coverage of the PTV and avoidance of organs at risk (OARs). Derived within this framework, an algorithm is presented that can account for general linear transformations of the planned MLC aperture, particularly 3D translations and in-plane rotations. This algorithm, together with algorithms presented in Sawant et al. [“Management of three-dimensional intrafraction motion through real-time DMLC tracking,” Med. Phys. 35, 2050–2061 (2008)] and Ruan and Keall [Presented at the 2011 IEEE Power Engineering and Automation Conference (PEAM) (2011) (unpublished)], was applied to apertures derived from eight lung intensity modulated radiotherapy plans subjected to six-degree-of-freedom motion traces acquired from lung cancer patients using the kilovoltage intrafraction monitoring system developed at the University of Sydney. A quality-of-fit metric was defined, and each algorithm was evaluated in terms of quality-of-fit and computation time. Results: This algorithm is shown to perform leaf-fittings of apertures, each with 80 leaf pairs, in 0.226 ms on average as compared to 0.082 and 64.2 ms for the algorithms of Sawant et al., Ruan, and Keall, respectively. The algorithm shows approximately 12% improvement in quality-of-fit over the Sawant et al. approach, while performing comparably to Ruan and Keall. Conclusions: This work improves upon the quality of the Sawant et al. approach, but does so without sacrificing run-time performance. In addition, using this framework allows for complex leaf-fitting strategies that can be used to account for PTV/OAR trade-off during real-time MLC tracking.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2023

SPT-SLIM: Line Intensity Mapping with the South Pole Telescope

Line-intensity mapping (LIM) at millimeter wavelengths is a powerful emerging probe of the large-scale structure of the Universe, but achieving meaningful constraints on cosmological parameters with LIM requires focal planes with orders of magnitudes more detectors than existing instruments. SPT-SLIM is an upcoming experiment to demonstrate LIM observations of CO at 0.5 < z < 2.0 using on-chip spectrometers with kinetic inductance detectors (KIDs), a new technology that enables scaling to the much larger arrays of detectors needed to probe cosmology. I will describe the overall experimental design and specific goals of SPT-SLIM. In addition, I will highlight results of the detector and readout electronics development for SPT-SLIM and the status of the camera integration and commissioning in the lab.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2017

Turbulence in Three-Dimensional Simulations of Magnetopause Reconnection: TURBULENCE DURING 3-D RECONNECTION

We present detailed analysis of the turbulence observed in three-dimensional particle-in- cell simulations of magnetic reconnection at the magnetopause. The parameters are representative of anelectron diffusion region encounter of the Magnetospheric Multiscale (MMS) mission. The turbulence is found to develop around both the magnetic X line and separatrices, is electromagnetic in nature, is characterized by a wave vector k given by kρ e ~(m e T e /m i T i ) 0.25 with ρ e the electron Larmor radius, and appears to have the ion pressure gradient as its source of free energy. Taken together, these results suggest the instability is a variant of the lower hybrid drift instability. The turbulence produces electric field fluctuations in the out-of-plane direction (the direction of the reconnection electric field) with an amplitude of around ±10 mV/m, which is much greater than the reconnection electric field of around 0.1 mV/m. Such large values of the out-of-plane electric field have been identified in the MMS data. The turbulence in the simulations controls the scale lengths of the density profile and current layers in asymmetric reconnection,driving them closer to $ \sqrt{} $ρ e ρ i than the ρ e or d e scalings seen in 2-D reconnection simulations, and produces significant anomalous resistivity and viscosit y in the electron diffusion region.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Decoding the flow evolution in Au+Au reactions at 1.23 A GeV using hadron flow correlations and dileptons

We investigate the development of the directed, v 1 , and elliptic flow, v 2 , in heavy ion collisions in mid-central Au+Au reactions at E lab = 1.23A GeV. We demonstrate that the elliptic flow of hot and dense matter is initially positive (v 2 >0) due to the early pressure gradient. This positive v 2 transfers its momentum to the spectators, which leads to the creation of the directed flow v 1 . In turn, the spectator shadowing of the in-plane expansion leads to a preferred decoupling of hadrons in the out-of-plane direction and results in a negative v 2 for the observable final state hadrons. We propose a measurement of v 1 −v 2 flow correlations and of the elliptic flow of dileptons as methods to pin down this evolution pattern. The elliptic flow of the dileptons allows then to determine the early-state EoS more precisely, because it avoids the strong modifications of the momentum distribution due to shadowing seen in the protons. This opens the unique opportunity for the HADES and CBM collaborations to measure the Equation-of-State directly at 2-3 times nuclear saturation density.

Reichert, Tom↗
DOE OSTI2024

An antiferromagnetic diode effect in even-layered MnBi 2 Te 4

In a p–n junction, the separation of positive and negative charges leads to diode transport, in which charge flows in only one direction. Non-centrosymmetric polar conductors are intrinsic diodes that could be of use in the development of nonlinear applications. Such systems have recently been extended to non-centrosymmetric superconductors, and the superconducting diode effect has been observed. Here, in this paper, we report an antiferromagnetic diode effect in a centrosymmetric crystal without directional charge separation. We observed large second-harmonic transport in a nonlinear electronic device enabled by the compensated antiferromagnetic state of even-layered MnBi 2 Te 4 . We show that this antiferromagnetic diode effect can be used to create in-plane field-effect transistors and microwave-energy-harvesting devices. We also show that electrical sum-frequency generation can be used as a tool to detect nonlinear responses in quantum materials.

electronic properties and materials↗
DOE OSTI2014

Current-driven dynamics of Dzyaloshinskii domain walls in the presence of in-plane fields: Full micromagnetic and one-dimensional analysis

Current-induced domain wall motion along high perpendicular magnetocrystalline anisotropy multilayers is studied by means of full micromagnetic simulations and a one-dimensional model in the presence of in-plane fields. We consider domain wall motion driven by the spin Hall effect in the presence of the Dzyaloshinskii-Moriya interaction (DMI). In the case of relatively weak DMI, the wall propagates without significant tilting of the wall plane, and the full micromagnetic results are quantitatively reproduced by a simple rigid one-dimensional model. By contrast, significant wall-plane tilting is observed in the case of strong DMI, and a one-dimensional description including the wall tilting is required to qualitatively describe the micromagnetic results. However, in this strong-DMI case, the one-dimensional model exhibits significant quantitative discrepancies from the full micromagnetic results, in particular, when high longitudinal fields are applied in the direction of the internal domain wall magnetization. It is also shown that, even under thermal fluctuations and edge roughness, the domain wall develops a net tilting angle during its current-induced motion along samples with strong DMI.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Monitoring Si growth on Ag(111) with scanning tunneling microscopy reveals that silicene structure involves silver atoms

Using scanning tunneling microscopy (STM), the elaboration of the so-called silicene layer on Ag(111) is monitored in real time during Si evaporation at different temperatures. It is shown that the growth of silicene is accompanied by the release of about 65% of the surface Ag atoms from the Si covered areas. We observe that Si islands develop on the Ag terraces and Si strips at the Ag step edges, progressively forming ordered (4×4), (√(13)×√(13)) R13.9°, and dotted phases. Meanwhile, displaced Ag atoms group to develop additional bare Ag terraces growing round the Si islands from the pristine Ag step edges. This indicates a strong interaction between Si and Ag atoms, with an important modification of the Ag substrate beneath the surface layer. This observation is in contradiction with the picture of a silicene layer weakly interacting with the unreconstructed Ag substrate, and strongly indicates that the structure of silicene on Ag(111) corresponds either to a Si-Ag surface alloy or to a Si plane covered with Ag atoms.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Epitaxial integration of superconducting nitrides with cubic GaN

Epitaxial combination of transition metal nitrides and group III-nitrides holds significant potential for novel device architectures, given their wide array of properties and similar lattice constants. However, the mixture of hexagonal and cubic crystals limits structural quality and has stymied development. This work will discuss the molecular beam epitaxy synthesis of metastable cubic GaN on 3C-SiC templates and its integration with cubic ZrN and NbN superconductors in single and multilayer heterostructures. The fully cubic nature of GaN and the epitaxial nature of all layers are confirmed via in situ and ex situ techniques. The electrical transport properties of transition metal nitrides on cubic GaN (001) are compared to those grown directly on 3C-SiC (001) and c-plane hexagonal GaN templates. The determination of a similar growth window for cubic wide-bandgap and superconducting metal nitrides creates a platform for new epitaxial device architectures and potential applications in metamaterials, quantum information science, and condensed matter physics.

Condensed matter physics↗
DOE OSTI2025

Magnetic correlations and pairing tendencies of the hybrid stacking nickelate superlattice La 7 Ni 5 O 17 (La 3 ⁢Ni 2 ⁢O 7 /La 4 Ni 3 ⁢O 10 ) under pressure

Motivated by the recent rapid progress in high-𝑇 𝑐 nickelate superconductors, we comprehensively study the physical properties of the alternating bilayer trilayer stacking nickelate La 7 ⁢Ni 5 ⁢O 17 . The high-symmetry phase of this material, without the tilting of oxygen octahedra, is not stable at ambient conditions but becomes stable under high pressure, where a small hole pocket 𝛾 0 , composed of the 𝑑 3⁢𝑧 2 −𝑟 2 states in the trilayer sublattice, appears. Here, this pocket was identified in our previous work for trilayer La 4 ⁢Ni 3 ⁢O 10 as important to develop superconductivity. Moreover, using random-phase approximation calculations, we find a leading 𝑠 ± pairing state for the high-symmetry phase under pressure with similar pairing strength as that obtained previously for the bilayer La 3⁢ Ni 2 ⁢O 7 compound, suggesting a similar or higher superconducting transition temperature 𝑇 𝑐 , at the random-phase approximation level. In addition, we find that the dominant magnetic fluctuations in the system driving this pairing state have antiferromagnetic structure both in-plane and between the planes of the top and bottom trilayer and bilayer sublattices, while the middle trilayer is magnetically decoupled.

Zhang, Yang [Univ. of Tennessee, Knoxville, TN (Un↗
DOE OSTI2014

Dose-to-water conversion for the backscatter-shielded EPID: A frame-based method to correct for EPID energy response to MLC transmitted radiation

Purpose: To develop a frame-by-frame correction for the energy response of amorphous silicon electronic portal imaging devices (a-Si EPIDs) to radiation that has transmitted through the multileaf collimator (MLC) and to integrate this correction into the backscatter shielded EPID (BSS-EPID) dose-to-water conversion model. Methods: Individual EPID frames were acquired using a Varian frame grabber and iTools acquisition software then processed using in-house software developed inMATLAB. For each EPID image frame, the region below the MLC leaves was identified and all pixels in this region were multiplied by a factor of 1.3 to correct for the under-response of the imager to MLC transmitted radiation. The corrected frames were then summed to form a corrected integrated EPID image. This correction was implemented as an initial step in the BSS-EPID dose-to-water conversion model which was then used to compute dose planes in a water phantom for 35 IMRT fields. The calculated dose planes, with and without the proposed MLC transmission correction, were compared to measurements in solid water using a two-dimensional diode array. Results: It was observed that the integration of the MLC transmission correction into the BSS-EPID dose model improved agreement between modeled and measured dose planes. In particular, the MLC correction produced higher pass rates for almost all Head and Neck fields tested, yielding an average pass rate of 99.8% for 2%/2 mm criteria. A two-sample independentt-test and fisher F-test were used to show that the MLC transmission correction resulted in a statistically significant reduction in the mean and the standard deviation of the gamma values, respectively, to give a more accurate and consistent dose-to-water conversion. Conclusions: The frame-by-frame MLC transmission response correction was shown to improve the accuracy and reduce the variability of the BSS-EPID dose-to-water conversion model. The correction may be applied as a preprocessing step in any pretreatment portal dosimetry calculation and has been shown to be beneficial for highly modulated IMRT fields.

60 APPLIED LIFE SCIENCES↗