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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Large-eddy Simulations of Spray Variability Effects on Flow Variability in a Direct-injection Spark-ignition Engine Under Non-combusting Operating Conditions

Large-eddy Simulations (LES) have been carried out to investigate spray variability and its effect on cycle-to-cycle flow variability in a direct-injection spark-ignition (DISI) engine under non-reacting conditions. Initial simulations were performed of an injector in a constant volume spray chamber to validate the simulation spray set-up. Comparisons showed good agreement in global spray measures such as the penetration. Local mixing data and shot-to-shot variability were also compared using Rayleigh-scattering images and probability contours. The simulations were found to reasonably match the local mixing data and shot-to-shot variability using a random-seed perturbation methodology. After validation, the same spray set-up with only minor changes was used to simulate the same injector in an optically accessible DISI engine. Particle Image Velocimetry (PIV) measurements were used to quantify the flow velocity in a horizontal plane intersecting the spark plug gap. The engine was operated in a skip-fired operating mode and comparisons focused on cycles that included fuel injection, but no spark event and therefore no combustion. 105 total LES engine cycles were simulated using a parallel cycle simulation approach and 3 different perturbation methods in an attempt to isolate the effects of shot-to-shot spray variability and the initial turbulent flow field as well as their interaction effects on overall engine CCVs. The experimental mean and standard deviations were reasonably well matched by the simulations, though quantitative comparisons near the injection event during the intake stroke were difficult due to the high uncertainty in the PIV measurements at these crank angles. The 3 simulation perturbation methods resulted in very similar results, though further analysis found the current parallel cycle approach may be limiting the ability of the simulations to isolate the spray and flow effects.

Cycle-to-cycle Variability↗
DOE OSTI2022

Lower‐Hybrid Wave Structures and Interactions With Electrons Observed in Magnetotail Reconnection Diffusion Regions

Abstract We investigate waves close to the lower‐hybrid frequency in 12 magnetotail reconnection electron diffusion region (EDR) events with guide field levels of near‐zero to 30%. In about half of the events, the wave vector has a small component along the current sheet normal, consistent with known lower‐hybrid drift wave properties, but the perpendicular magnetic field fluctuations can be comparable or greater than the parallel component, a feature unique to the waves inside and adjacent to EDRs. Another new wave property is that the wave vector has a significant component along the current sheet normal in some events and completely along the normal for one event. In 1/4 of the events, the term has a significant contribution to the wave electric field, possibly a feature of lower‐hybrid waves more likely to exist in the diffusion region than further away from the X‐line. Electron temperature variations are correlated with the wave potential, due to wave electric field acceleration and crossings at the corrugated separatrix region with different amounts of mixing between reconnection inflowing and outflowing populations. The latter also leads to the anti‐correlation between parallel and perpendicular temperature components. Using four‐spacecraft measurements, the magnetic field line twisting is demonstrated by the correlated fluctuations in and . The lower‐hybrid wave in the EDR of weak guide field reconnection may be generated near separatrices and penetrate to the mid‐plane or locally generated, and the latter possibility is beyond the prediction of previous reconnection simulations.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2021

Spirals and skyrmions in antiferromagnetic triangular lattices

In this work, we study realizations of spirals and skyrmions in two-dimensional antiferromagnets with a triangular lattice on an inversion-symmetry-breaking substrate. As a possible material realization, we investigate the adsorption of transition-metal atoms (Cr, Mn, Fe, or Co) on a monolayer of MoS 2 , WS 2 , or WSe 2 and obtain the exchange, anisotropy, and Dzyaloshinskii-Moriya interaction parameters using first-principles calculations. Using energy minimization and parallel-tempering Monte Carlo simulations, we determine the magnetic phase diagrams for a wide range of interaction parameters. We find that skyrmion lattices can appear even with weak Dzyaloshinskii-Moriya interactions, but their stability is hindered by magnetic anisotropy. However, a weak easy plane magnetic anisotropy can be beneficial for stabilizing the skyrmion phase. Our results suggest that Cr/MoS 2 , Fe/MoS 2 , and Fe/WSe 2 interfaces can host spin spirals formed from the 120 degrees antiferromagnetic states. Our results further suggest that for interfaces, such as Fe/MoS 2 , the Dzyaloshinskii-Moriya interaction is strong enough to drive the system into a three-sublattice skyrmion lattice in the presence of experimentally feasible external magnetic field.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Infrared MBE-Grown HgCdTe Focal Plane Arrays and Cameras After High Energy Neutron Irradiation

HgCdTe is one of the most important materials for the fabrication of infrared detectors and focal plane arrays (FPAs) deployed in environments where high-energy particles, such as protons and neutrons, are present. We designed and fabricated HgCdTe-based FPAs that can be used in high neutron radiation environments and we measured their characteristics. The influence of the radiation on the infrared FPAs and cameras is investigated. HgCdTe material and devices are capable of maintaining high performances in a high energy neutron irradiation environment. For MWIR FPA directly facing a $2.59 × 10^8$ n/cm$^2$ s neutron flux beam (with the highest energy 66 MeV) for 1 h, the noise equivalent differential temperature (NEDT) increased ~8 times after irradiation. However, NEDT decreased to 33 mK (compared to the original value of 21 mK) after one warming-up (to room temperature) and cooling-down cycle. The NEDT for the MWIR FPAs mounted parallel to the beam did not degrade (16 mK and 28 mK before irradiation, changed to 18 mK and 26 mK after irradiation, respectively).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2022

Elastic Solutions to 2D Plane Strain Problems: Nonlinear Contact and Settlement Analysis for Shallow Foundations

The classical Neumann boundary value problem of an isotropic, homogeneous elastic half-plane under plane strain conditions is readdressed as the limiting case of the fully three-dimensional problem. Analytical solutions of the stress and strain tensors are obtained by taking the limit from known three-dimensional solutions. It is shown that the displacement fields for the plane strain problem are not well defined. A small number of simple expressions are developed, which provide a general solution for linearly-varying traction over arbitrary regions on the boundary. A simple, efficient, and rapidly convergent algorithm is developed which uses these solutions as analytic elements and provides a solution approach to the general boundary value problem. The method is verified against known solutions for Hertzian contact between parallel cylinders. Two numerical examples are presented for the analysis of shallow foundation systems. In the first, the boundary conditions are informed by analytical elastoplastic calculations and a strain influence analysis is performed and compared with the Schmertmann method. Subsequently, empirical laboratory contact traction distributions measured by Bauer et al., in both the normal and tangential directions are employed as boundary conditions for an analysis of the underlying stress field.

42 ENGINEERING↗
DOE OSTI2019

Reorientation of antiferromagnetism in cobalt doped FeSn

FeSn is an itinerant antiferromagnet that hosts electronic Dirac states and ordered magnetic moments lying within its Fe Kagome-lattice planes. We present magnetization measurements of single crystals of (Fe 1-x Co x )Sn, revealing the evolution and suppression of this magnetic order with Co substitution. We interpret the dramatic changes in magnetic anisotropy to indicate a reorientation of the moments from perpendicular to parallel to the hexagonal c axis and confirm this with neutron diffraction. It has been proposed that the Dirac nodes observed in FeSn should become gapped if the moments rotate as our data suggests. We identify Co-substituted compositions that adopt both antiferromagnetic configurations at different temperatures. This system provides a unique opportunity to study how the details of magnetic order impact Dirac electron states.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Evanescently coupled piezoelectric acoustic devices

An electro-acoustic device includes a plurality of suspended, piezoelectric, acoustically waveguiding membranes supported in a common plane. An input transducer coupled to one of the waveguiding membranes converts input electrical signals to traveling-wave acoustic signals. An output transducer coupled to one of the waveguiding membranes converts acoustic signals to electrical signals. At least two of the waveguiding membrane have parallel straight sections that are longer than a guided acoustic wavelength and that are mutually separated by an air gap having a width less than the guided acoustic wavelength.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Three paths toward the quantum angle operator

We examine mathematical questions around angle (or phase) operator associated with a number operator through a short list of basic requirements. We implement three methods of construction of quantum angle. The first one is based on operator theory and parallels the definition of angle for the upper half-circle through its cosine and completed by a sign inversion. The two other methods are integral quantization generalizing in a certain sense the Berezin–Klauder approaches. One method pertains to Weyl–Heisenberg integral quantization of the plane viewed as the phase space of the motion on the line. It depends on a family of “weight” functions on the plane. The third method rests upon coherent state quantization of the cylinder viewed as the phase space of the motion on the circle. The construction of these coherent states depends on a family of probability distributions on the line.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Scalable Metropolis Monte Carlo for simulation of hard shapes

We design and implement a scalable hard particle Monte Carlo simulation toolkit (HPMC), and release it open source as part of HOOMD-blue. HPMC runs in parallel on many CPUs and many GPUs using domain decomposition. We employ BVH trees instead of cell lists on the CPU for fast performance, especially with large particle size disparity, and optimize inner loops with SIMD vector intrinsics on the CPU. Our GPU kernel proposes many trial moves in parallel on a checkerboard and uses a block-level queue to redistribute work among threads and avoid divergence. HPMC supports a wide variety of shape classes, including spheres/disks, unions of spheres, convex polygons, convex spheropolygons, concave polygons, ellipsoids/ellipses, convex polyhedra, convex spheropolyhedra, spheres cut by planes, and concave polyhedra. NVT and NPT ensembles can be run in 2D or 3D triclinic boxes. Additional integration schemes permit Frenkel–Ladd free energy computations and implicit depletant simulations. In a benchmark system of a fluid of 4096 pentagons, HPMC performs 10 million sweeps in 10 min on 96 CPU cores on XSEDE Comet. The same simulation would take 7.6 h in serial. HPMC also scales to large system sizes, and the same benchmark with 16.8 million particles runs in 1.4 h on 2048 GPUs on OLCF Titan.

Computer Science↗
DOE OSTI2018

Unexpected Diffusion Anisotropy of Carbon Dioxide in the Metal–Organic Framework Zn 2 (dobpdc)

Metal–organic frameworks are promising materials for energy-efficient gas separations, but little is known about the diffusion of adsorbates in materials featuring one-dimensional porosity at the nanoscale. An understanding of the interplay between framework structure and gas diffusion is crucial for the practical application of these materials as adsorbents or in mixed-matrix membranes, since the rate of gas diffusion within the adsorbent pores impacts the required size (and therefore cost) of the adsorbent column or membrane. In this paper, we investigate the diffusion of CO 2 within the pores of Zn 2 (dobpdc) (dobpdc 4– = 4,4'-dioxidobiphenyl-3,3'-dicarboxylate) using pulsed field gradient (PFG) nuclear magnetic resonance (NMR) spectroscopy and molecular dynamics (MD) simulations. The residual chemical shift anisotropy for pore-confined CO 2 allows PFG NMR measurements of self-diffusion in different crystallographic directions, and our analysis of the entire NMR line shape as a function of the applied field gradient provides a precise determination of the self-diffusion coefficients. In addition to observing CO 2 diffusion through the channels parallel to the crystallographic c axis (self-diffusion coefficient D ∥ = (5.8 ± 0.1) × 10 –9 m 2 s –1 at a pressure of 625 mbar CO 2 ), we unexpectedly find that CO 2 is also able to diffuse between the hexagonal channels in the crystallographic ab plane (D ⊥ = (1.9 ± 0.2) × 10 –10 m 2 s –1 ), despite the walls of these channels appearing impermeable by single-crystal X-ray crystallography and flexible lattice MD simulations. Finally, observation of such unexpected diffusion in the ab plane suggests the presence of defects that enable effective multidimensional CO 2 transport in a metal–organic framework with nominally one-dimensional porosity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

THE ROLE OF QUENCHING TIME IN THE EVOLUTION OF THE MASS–SIZE RELATION OF PASSIVE GALAXIES FROM THE WISP SURVEY

We analyze how passive galaxies at z ∼ 1.5 populate the mass–size plane as a function of their stellar age, to understand if the observed size growth with time can be explained with the appearance of larger quenched galaxies at lower redshift. We use a sample of 32 passive galaxies extracted from the Wide Field Camera 3 Infrared Spectroscopic Parallel (WISP) survey with spectroscopic redshift 1.3 ≲ z ≲ 2.05, specific star formation rates lower than 0.01 Gyr{sup −1}, and stellar masses above 4.5 × 10{sup 10} M {sub ⊙}. All galaxies have spectrally determined stellar ages from fitting of their rest-frame optical spectra and photometry with stellar population models. When dividing our sample into young (age ≤2.1 Gyr) and old (age >2.1 Gyr) galaxies we do not find a significant trend in the distributions of the difference between the observed radius and that predicted by the mass–size relation. This result indicates that the relation between the galaxy age and its distance from the mass–size relation, if it exists, is rather shallow, with a slope α ≳ −0.6. At face value, this finding suggests that multiple dry and/or wet minor mergers, rather than the appearance of newly quenched galaxies, are mainly responsible for the observed time evolution of the mass–size relation in passive galaxies.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Monoclinic crystal structure of α - RuCl 3 and the zigzag antiferromagnetic ground state

We have proposed the layered honeycomb magnet α - RuCl 3 as a candidate to realize a Kitaev spin model with strongly frustrated, bond-dependent, anisotropic interactions between spin-orbit entangled j eff = 1/2 Ru 3 + magnetic moments. We report a detailed study of the three-dimensional crystal structure using x-ray diffraction on untwinned crystals combined with structural relaxation calculations. We consider several models for the stacking of honeycomb layers and find evidence for a parent crystal structure with a monoclinic unit cell corresponding to a stacking of layers with a unidirectional in-plane offset, with occasional in-plane sliding stacking faults, in contrast with the currently assumed trigonal three-layer stacking periodicity. We also report electronic band-structure calculations for the monoclinic structure, which find support for the applicability of the j eff = 1/2 picture once spin-orbit coupling and electron correlations are included. Of the three nearest-neighbor Ru-Ru bonds that comprise the honeycomb lattice, the monoclinic structure makes the bond parallel to the b axis nonequivalent to the other two, and we propose that the resulting differences in the magnitude of the anisotropic exchange along these bonds could provide a natural mechanism to explain the previously reported spin gap in powder inelastic neutron scattering measurements, in contrast to spin models based on the three-fold symmetric trigonal structure, which predict a gapless spectrum within linear spin wave theory. Our susceptibility measurements on both powders and stacked crystals, as well as magnetic neutron powder diffraction, show a single magnetic transition upon cooling below T N ≈ 13 K. Our analysis of our neutron powder diffraction data provides evidence for zigzag magnetic order in the honeycomb layers with an antiferromagnetic stacking between layers. Magnetization measurements on stacked single crystals in pulsed field up to 60 T show a single transition around 8 T for in-plane fields followed by a gradual, asymptotic approach to magnetization saturation, as characteristic of strongly anisotropic exchange interactions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Stable oscillation in spin torque oscillator excited by a small in-plane magnetic field

Theoretical conditions to excite self-oscillation in a spin torque oscillator consisting of a perpendicularly magnetized free layer and an in-plane magnetized pinned layer are investigated by analytically solving the Landau-Lifshitz-Gilbert equation. The analytical relation between the current and oscillation frequency is derived. It is found that a large amplitude oscillation can be excited by applying a small field pointing to the direction anti-parallel to the magnetization of the pinned layer. The validity of the analytical results is confirmed by comparing with numerical simulation, showing good agreement especially in a low current region.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Pinning, rotation, and metastability of BiFeO 3 cycloidal domains in a magnetic field

Earlier models for the room-temperature multiferroic BiFeO 3 implicitly assumed that a very strong anisotropy restricts the domain wave vectors q to the threefold-symmetric axis normal to the static polarization P. However, recent measurements demonstrate that the domain wave vectors q rotate within the hexagonal plane normal to P away from the magnetic field orientation m. In this paper, we show that the previously neglected threefold anisotropy K 3 restricts the wave vectors to lie along the threefold axis in zero field. Taking m to lie along a threefold axis, the domain with q parallel to m remains metastable below B c1 ≈7 T. Due to the pinning of domains by nonmagnetic impurities, the wave vectors of the other two domains start to rotate away from m above 5.6 T, when the component of the torque τ=M×B along P exceeds a threshold value τ pin . Since τ=0 when m⊥q, the wave vectors of those domains never become completely perpendicular to the magnetic field. Our results explain recent measurements of the critical field as a function of field orientation, small-angle neutron scattering measurements of the wave vectors, as well as spectroscopic measurements with m along a threefold axis. Finally, the model developed in this paper also explains how the three multiferroic domains of BiFeO 3 for a fixed P can be manipulated by a magnetic field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic field induced antiferromagnetic cone structure in multiferroic BiFeO 3

Neutron diffraction measurements were performed under high magnetic fields up to 17 T in a multiferroic BiFeO 3 single crystal, in which an intermediate magnetic (IM) phase has been found between the cycloid and canted antiferromagnetic phases [S. Kawachi et al., Phys. Rev. Mater. 1, 024408 (2017)]. We clearly found that the incommensurate magnetic peaks, which split perpendicular to the magnetic field in the cycloid phase, rotate by 90 deg to align parallel to the field in the IM phase. The magnetic structure in the IM phase can be best described by an antiferromagnetic cone (AF cone) structure. The transition from the cycloid to AF cone is of first order and the direction of the magnetic wave vector and the easy plane of the cycloidal component are rotated by 90 deg without changing the cycloidal modulation period, whereas the transition from the AF cone to canted antiferromagnetic phase is gradual and the cone angle becomes smaller gradually without changing the modulation period. Interestingly, the cycloidal component as well as the cone angle in the IM phase shows a large hysteresis between the field increasing and decreasing processes. Finally, this result, combined with the magnetostriction with a large hysteresis previously reported in the IM phase, suggests a strong magnetoelastic coupling.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Spin Transport Investigations in Bilayer Graphene

We study the spin-based electron transport properties in bilayer graphene with half-metallic ferromagnetic (HMF) CrO{sub 2} electrodes. Out-of-plane bilayer graphene has been examined in this paper. A high magneto-resistance ratio (MR) of ∼99% is obtained in the bilayer structure for a potential range of 0 to 0.8 V, after which MR drops because of the increase in spin-up current in the anti-parallel configuration at 1.2 V. High spin filtration of ∼100% is obtained at all bias points. Transmission spectrum studies show that a large number of electronic states are present at the Fermi level in bilayer graphene, which would result in high current.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

A new method for isolating plasma interactions from those of the laser beam during plasma nitriding

Highlights: • Nitriding of titanium was studied using a laser sustained plasma (LSP) reactor, independent of the laser beam. • Nucleation and growth of faceted, dendritic, rectangular and particulate TiN morphologies was observed. • TiN layers up to 300 μm thick formed within 5 s - one of the most rapid TiN growth rates observed for LSP/laser nitriding. • LSP accessed novel microstructures compared to laser nitriding with or without surface-struck plasm plasma. - Abstract: A new method for separating the interactions of a laser plasma from those of a laser beam with a titanium substrate was developed. A laser-sustained plasma (LSP) was generated by striking the plasma on a titanium plate in a flowing nitrogen atmosphere at ambient pressure and subsequently removing the strike plate. The resultant nitrogen plasma was sustained indefinitely around the laser focal plane until the nitrogen gas flow and/or the laser power were switched off. The laser-sustained nitrogen plasma was then used as a “reactor” to study the effects of a nitrogen plasma, independent of the laser beam, when the plasma was brought into close proximity, (2 to 3 mm), parallel to a titanium substrate. There was no interaction of the parallel laser beam with the substrate. Heat, nitrogen and titanium were exchanged between the nitrogen LSP and substrate resulting in melting, nucleation and growth of faceted and dendritic TiN crystals, rectangular hollow TiN morphologies and particulate TiN deposits. Dense TiN layers up to 300 μm thick formed within 5 s. The results demonstrated that compositionally graded layers of nitrogen-enriched titanium, and titanium nitride could be formed very rapidly on model, commercially-pure titanium substrates, with promise for extension to commercial alloys such as Ti-6Al-4V.

36 MATERIALS SCIENCE↗