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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 379 records · Page 21
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DOE OSTI2019

Superconductivity Behavior in Epitaxial TiN Films Points to Surface Magnetic Disorder

In this work we analyze the evolution of the normal and superconducting properties of epitaxial TiN films, characterized by high Ioffe-Regel parameter values, as a function of the film thickness. As the film thickness decreases, we observe an increase of the residual resistivity, that becomes dominated by diffusive surface scattering for d ≤ 20 nm . At the same time, a substantial thickness-dependent reduction of the superconducting critical temperature is observed compared to the bulk TiN value. In such high-quality material films, this effect can be explained by a weak magnetic disorder residing in the surface layer with a characteristic magnetic defect density of approximately 10 12 cm –2 . Our results suggest that surface magnetic disorder is generally present in oxidized TiN films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Stripe antiferromagnetic ground state of the ideal triangular lattice compound KErSe 2

Rare-earth triangular lattice materials have been proposed as a good platform for the investigation of frustrated magnetic ground states. KErSe 2 , with the delafossite structure, contains perfect two-dimensional Er 3 + triangular layers separated by potassium ions, realizing this ideal configuration and inviting study. In this study, we investigate the magnetism of KErSe 2 at millikelvin temperatures by heat capacity and neutron powder diffraction. Heat capacity results reveal a magnetic transition at 0.2 K in zero applied field. This long-range order is suppressed by an applied magnetic field of 0.5 T below 0.08 K. Neutron powder diffraction suggests that the zero-field magnetic structure orders with k = ( 1 2 , 0 , 1 2 ) in a stripe spin structure. Unexpectedly, Er is found to have a reduced moment of 3.06(1) μ B /Er in the ordered state, and diffuse magnetic scattering, which originates at higher temperatures, is found to persist in the ordered state, potentially indicating magnetic fluctuations. Neutron diffraction collected under an applied field shows a metamagnetic transition at ~ 0.5 T to ferromagnetic order with k = ( 0 , 0 , 0 ) and two possible structures, which are likely dependent on the applied field direction. The zero-field stripe spin structure can be explained by the anisotropic interactions or the first-, second-, and third-neighbor couplings in the antiferromagnetic triangular lattice.

2-dimensional systems↗
DOE OSTI2021

Suppressed incommensurate order in swedenborgite Ca 0.5 Y 0.5 BaCo 4 O 7

Swedenborgite Ca 0.5 Y 0.5 BaCo 4 O 7 (CYBCO) with geometrically frustrated kagome and triangular lattices exhibits a disordered ground state in spite of strong antiferromagnetic couplings between the Co spins. The character of the disordered state has been debated due to ambiguous Co states in the triangular layers. Here, we perform single-crystal diffuse neutron scattering experiments to fully characterize the short-range spin correlations in CYBCO. Through reverse Monte Carlo and self-consistent Gaussian approximation analyses, we confirm that the Co ions in both the kagome and triangular layers are magnetic, and the interlayer couplings, together with the lattice distortion, promote an incommensurate magnetic order that is suppressed possibly by exchange disorder. Our work clarifies the short-range spin correlations in CYBCO and establishes a general correspondence between unequal interactions and incommensurate spin correlations on the swedenborgite lattice.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Quantum graph models for transport in filamentary switching

The formation of metallic nanofilaments bridging two electrodes across an insulator is a mechanism for resistive switching. Examples of such phenomena include atomic synapses, which constitute a distinct class of memristive devices the behavior of which is closely tied to the properties of the filament. Until recently, experimental investigation of the low-temperature regime and quantum transport effects has been limited. However, with growing interest in understanding the true impacts of the filament on device conductance, comprehending quantum effects has become crucial for quantum neuromorphic hardware. Here, we discuss quantum transport resulting from filamentary switching in a narrow region where the continuous approximation of the contact is not valid, and only a few atoms are involved. In this scenario, the filament can be represented by a graph depicting the adjacency of atoms and the overlap between atomic orbitals. Using the theory of quantum graphs with locally diffusive node scattering, we calculate the scattering amplitude of charge carriers on this graph and explore the interplay between filamentary formation and quantum transport effects.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2017

Magnetic order and interactions in ferrimagnetic Mn 3 Si 2 Te 6

The magnetism in Mn 3 Si 2 Te 6 has been investigated using thermodynamic measurements, first principles calculations, neutron diffraction and diffuse neutron scattering on single crystals. These data con rm that Mn3Si2Te6 is a ferrimagnet below T C 78 K. The magnetism is anisotropic, with magnetization and neutron diffraction demonstrating that the moments lie within the basal plane of the trigonal structure. The saturation magnetization of 1.6 B/Mn at 5K originates from the different multiplicities of the two antiferromagnetically-aligned Mn sites. First principles calculations reveal antiferromagnetic exchange for the three nearest Mn-Mn pairs, which leads to a competition between the ferrimagnetic ground state and three other magnetic configurations. The ferrimagnetic state results from the energy associated with the third-nearest neighbor interaction, and thus long- range interactions are essential for the observed behavior. Di use magnetic scattering is observed around the 002 Bragg reflection at 120 K, which indicates the presence of strong spin correlations well above T C . These are promoted by the competing ground states that result in a relative suppression of T C , and may be associated with a small ferromagnetic component that produces anisotropic magnetism below ≈ 330 K.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Neutron studies of gauge field and charge in Ih heavy-water ice

The distinctive character of water ice results from the partially disordered combination of covalent and hydrogen bonds in the network of hydrogen and oxygen atoms. The nontrivial hydrogen correlations we report in diffuse neutron scattering are analytically fit via a description of this state as a topological system exhibiting an emergent gauge field. This enables the density of correlation-terminating point defects to be decided as one defect per 500 oxygen sites at 30 K. Application of an analytical model of ice paves the way towards a detailed understanding of this ubiquitous solid.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2022

Order-Disorder Transitions in ( Ca x Sr 1 - x ) 3 Rh 4 Sn 13

The classification of structural phase transitions as displacive or order-disorder in character is usually based on spectroscopic data above the transition. Here, we use single crystal x-ray diffraction to investigate structural correlations in the quasiskutterudites, (Ca x Sr 1-x ) 3 Rh 4 Sn 13 , which have a quantum phase transition at x ~ 0.9. Three-dimensional pair distribution functions show that the amplitudes of local atomic displacements are temperature independent below the transition and persist to well above the transition, a signature of order-disorder behavior. The implications for the associated electronic transitions are discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2025

Solving disorder in (3D) real space: a comparative study of the three-dimensional difference pair distribution function and atomic resolution holography reconstructions

The quantitative analysis of local ordering principles in disordered crystalline systems has gained much attention over the past few years, as it is often considered crucial for optimizing material functionality. This development has been driven by significant advancements in computational and experimental methods, which have led to the establishment and widespread use of various analytical techniques. In this study, we perform model calculations to compare the effectiveness of atomic resolution holography and three-dimensional difference pair distribution function analysis (3D-ΔPDF). Using Cu 3 Au as a model system, we demonstrate an approach to derive local order parameters quantitatively and show that both techniques are well suited to quantifying chemical short-range order correlations and local bond-distance variations. By evaluating the strengths and limitations of both techniques, we advocate for their combined use to solve complex short-range order problems accurately.

3D-ΔPDF↗
DOE OSTI2018

Modeling Discrete Forest Anisotropic Reflectance Over a Sloped Surface With an Extended GOMS and SAIL Model

Topographic effects on canopy reflectance play a pivotal role in the retrieval of surface biophysical variables over rugged terrain. In this paper, we proposed a new canopy anisotropic reflectance model for discrete forests, Geometric Optical and Mutual Shadowing and Scattering-from-Arbitrarily-Inclined-Leaves model coupled with Topography (GOSAILT), which considers the effects of slope, aspect, geotropic nature of tree growth, multiple scattering, and diffuse skylight. GOSAILT-simulated areal proportions of four scene components (i.e., sunlit crown, shaded crown, sunlit background, and shaded background) were evaluated using the Geometric Optical model for Sloping Terrains (GOST) model. The canopy reflectances simulated by GOSAILT were validated against two reflectance data sets: Discrete anisotropic radiative transfer (DART) simulations and wide-angle infrared dual-model line/area array scanner (WIDAS) observations. Compared with a horizontal surface, the forest canopy reflectance over a steep slope (60°) is significantly distorted with absolute (relative) bias values of 0.048 (79.60%) and 0.056 (12.02%) for the red and near-infrared (NIR) bands, respectively. The GOSAILT-simulated component areal proportions show close agreements with GOST. Moreover, GOSAILT simulations have high overall accuracy (red band: coefficient of determination (R²) = 0.96; root-mean-square error (RMSE) = 0.003; and mean absolute percentage error (MAPE) = 3.91%; and NIR band: R² = 0.78, RMSE = 0.019; MAPE = 3.94%) when compared with the DART simulations. In conclusion, these extensive validations indicate good performances of GOSAILT in canopy reflectance simulations over sloped surfaces.

58 GEOSCIENCES↗
DOE OSTI2016

Phonon focusing and electron–phonon drag in semiconductor crystals with degenerate charge-carrier statistics

We study the effect of anisotropy in elastic properties on the electron–phonon drag and thermoelectric phenomena in gapless semiconductors with degenerate charge-carrier statistics. It is shown that phonon focusing leads to a number of new effects in the drag thermopower at low temperatures, when diffusive phonon scattering from the boundaries is the predominant relaxation mechanism. We analyze the effect of phonon focusing on the dependences of the thermoelectromotive force (thermopower) in HgSe:Fe crystals on geometric parameters and the heat-flow directions relative to the crystal axes in the Knudsen regime of the phonon gas flow. The crystallographic directions that ensure the maximum and minimum values of the thermopower are determined and the role of quasi-longitudinal and quasi-transverse phonons in the drag thermopower in HgSe:Fe crystals at low temperatures is analyzed. It is shown that the main contribution to the drag thermopower comes from slow quasi-transverse phonons in the directions of focusing in long samples.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Role of Quasi-Longitudinal and Quasi-Transverse Phonons in the Drag Thermopower of Potassium Crystals at Low Temperatures

We have analyzed the effect of elastic energy anisotropy on the electron–phonon drag and thermoelectric phenomena in potassium crystals. It is shown that focusing leads to drag thermopower anisotropy at low temperatures; when diffuse phonon scattering at the boundaries is the predominant relaxation mechanism, focusing leads to drag thermopower anisotropy. With increasing sample cross section, the competition of the boundary and bulk phonon relaxation mechanisms leads to a nonmonotonic variation of drag thermopower anisotropy: upon a transition from the Knudsen regime of the phonon gas flow, it first increases from 16% to 30%, and then vanishes upon a transition to bulk samples. We have studied the role of quasi-longitudinal and quasi-transverse phonons in the drag thermopower of potassium crystals at low temperatures. It is shown that the contribution of slow quasi-transverse phonons to the drag thermopower of bulk potassium crystals is an order of magnitude larger than the contribution of quasi-longitudinal phonons. For this reason, the isotropic medium model cannot provide a correct description of the electron–phonon drag in metals. The effect of inelastic energy anisotropy on the spectrum and of the phonon polarization vector must be taken into account.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Incoherent Dynamics of Intense Proton Beams under Electron Cooling

The minimum emittance of ion beams achieved using electron cooling is limited by the heating processes of Intra Beam Scattering and diffusion driven by resonance crossing of particles due to space-charge. We describe a new experiment to explore the intense space-charge regime with a transverse tune shift approaching -0.5 using 2.5~MeV protons at the Integrable Optics Test Accelerator (IOTA) at Fermilab. We also report on the results from PyORBIT simulations incorporating transverse space-charge and electron cooling with emphasis on the incoherent dynamics of the particles.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2021

The Transport Properties of Quasi–One-Dimensional Ba 3 Co 2 O 6 (CO 3 ) 0.7

We have performed combined elastic neutron diffuse, electrical transport, specific heat, and thermal conductivity measurements on the quasi–one-dimensional Ba 3 Co 2 O 6 (CO 3 ) 0.7 single crystal to characterize its transport properties. A modulated superstructure of polyatomic CO 3 2- is formed, which not only interferes the electronic properties of this compound, but also reduces the thermal conductivity along the c-axis. Furthermore, a large magnetic entropy is observed to be contributed to the heat conduction. Our investigations reveal the influence of both structural and magnetic effects on its transport properties and suggest a theoretical improvement on the thermoelectric materials by building up superlattice with conducting ionic group.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Probing the Intergalactic Medium with Ly α and 21 cm Fluctuations

We study 21 cm and Ly α fluctuations, as well as H α , while distinguishing between Ly α emission of galactic, diffuse, and scattered intergalactic medium (IGM) origin. Cross-correlation information about the state of the IGM is obtained, testing neutral versus ionized medium cases with different tracers in a seminumerical simulation setup. In order to pave the way toward constraints on reionization history and modeling beyond power spectrum information, we explore parameter dependencies of the cross-power signal between 21 cm and Ly α , which displays a characteristic morphology and a turnover from negative to positive correlation at scales of a couple Mpc{sup −1}. In a proof of concept for the extraction of further information on the state of the IGM using different tracers, we demonstrate the use of the 21 cm and H α cross-correlation signal to determine the relative strength of galactic and IGM emission in Ly α . We conclude by showing the detectability of the 21 cm and Ly α cross-correlation signal over more than one decade in scale at high signal-to-noise ratio for upcoming probes like SKA and the proposed all-sky intensity mapping satellites SPHEREx and CDIM, while also including the Ly α damping tail and 21 cm foreground avoidance in the modeling.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Incoherent Dynamics of Intense Proton Beams Under Electron Cooling

The minimum emittance of ion beams achieved using electron cooling is limited by the heating processes of Intra Beam Scattering and diffusion driven by resonance crossing of particles due to space-charge. We describe a new experiment to explore the intense space-charge regime with a transverse tune shift approaching -0.5 using 2.5 MeV protons at the Integrable Optics Test Accelerator (IOTA) at Fermilab. We also report on the results from PyORBIT simulations incorporating transverse space-charge and electron cooling with emphasis on the incoherent dynamics of the particles.

43 PARTICLE ACCELERATORS↗