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At least 1,423 records · Page 79
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Canted antiferromagnetic phases in the candidate layered Weyl material EuMnSb 2

EuMnSb 2 is a candidate topological material which can be tuned towards a Weyl semimetal, but there are differing reports for its antiferromagnetic (AFM) phases. The coupling of bands dominated by pure Sb layers hosting topological fermions to Mn and Eu magnetic states provides a potential path to tune the topological properties. In this study we present single-crystal neutron diffraction, magnetization, and heat-capacity data as well as polycrystalline 151 Eu Mössbauer data which show that three AFM phases exist as a function of temperature, and we present a detailed analysis of the magnetic structure in each phase. The Mn magnetic sublattice orders into a C-type AFM structure below T N Mn = 323 (1) K with the ordered Mn magnetic moment μ Mn lying perpendicular to the layers. AFM ordering of the Eu sublattice occurs below T N Eu1 = 23 (1) K with the ordered Eu magnetic moment μ Eu canted away from the layer normal and μ Mn retaining its higher temperature order. μ Eu is ferromagnetically aligned within each Eu layer but exhibits a complicated AFM layer stacking. Both of these higher-temperature phases are described by magnetic space group (MSG) $\mathcal{Pn'm'a'}$ with the chemical and magnetic unit cells having the same dimensions. Cooling below T N Eu2 =9 (1) K reveals a third AFM phase where μ Mn remains unchanged but μ Eu develops an additional substantial in-plane canting. This phase has MSG $\mathcal{P11}$ $\frac{2_1}{a′}$. We also find some evidence of short-range magnetic correlations associated with the Eu between 12 K≲ T≲ 30 K . Using the determined magnetic structures, we postulate the signs of nearest-neighbor intralayer and interlayer exchange constants and the magnetic anisotropy within a general Heisenberg model. We then discuss implications of the various AFM states in EuMnSb 2 and their potential for tuning topological properties.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
NASA NTRS2013

Modeling Delamination in Postbuckled Composite Structures Under Static and Fatigue Loads

The ability of the Abaqus progressive Virtual Crack Closure Technique (VCCT) to model delamination in composite structures was investigated for static, postbuckling, and fatigue loads. Preliminary evaluations were performed using simple Double Cantilever Beam (DCB) and Mixed-Mode Bending (MMB) specimens. The nodal release sequences that describe the propagation of the delamination front were investigated. The effect of using a sudden or a gradual nodal release was evaluated by considering meshes aligned with the crack front as well as misaligned meshes. Fatigue simulations were then performed using the Direct Cyclic Fatigue (DCF) algorithm. It was found that in specimens such as the DCB, which are characterized by a nearly linear response and a pure fracture mode, the algorithm correctly predicts the Paris Law rate of propagation. However, the Abaqus DCF algorithm does not consider different fatigue propagation laws in different fracture modes. Finally, skin/stiffener debonding was studied in an aircraft fuselage subcomponent in which debonding occurs deep into post-buckling deformation. VCCT was shown to be a robust tool for estimating the onset propagation. However, difficulties were found with the ability of the current implementation of the Abaqus progressive VCCT to predict delamination propagation within structures subjected to postbuckling deformations or fatigue loads.

Bisagni, Chiara↗
DOE OSTI2026

High-pressure neutron powder diffraction study of an arsenolite deuterium inclusion compound: structure and formation kinetics

High-pressure variable-temperature neutron powder diffraction was employed to investigate the synthesis and structural properties of arsenolite (As 4 O 6 ), a cubic arsenic( III ) oxide polymorph, and its inclusion compound with deuterium. The compound forms with the stoichiometry As 4 O 6 ·2D 2 , consistent with earlier findings. At 295 K and 1.96(2) GPa, D 2 molecules occupy the 16c site (0, 0, 0) and are aligned along the <111> direction. The diffraction data suggest that the D 2 molecules at this site become rotationally disordered upon decompression to 0.78(2) GPa at 120 K, while no occupancy is observed at the 8a position (⅛, ⅛, ⅛) under any of the studied conditions. The kinetic data of the high-pressure inclusion compound synthesis at 1.56(2) and 1.96(2) GPa were analyzed using the Avrami model. The Avrami exponent, 0.135(16), remains invariant with pressure, demonstrating that the reaction topochemistry is unaffected by compression. Similarly, the reaction rates, 0.29(3) and 0.23(3) min −0.135 at 1.56(2) and 1.96(2) GPa, respectively, exhibit negligible pressure dependence and suggest a surprisingly low activation volume of 1.6 cm 3 mol −1 for the reaction. These results provide detailed insight into the structural dynamics and kinetics of deuterium inclusion in arsenolite under high pressure.

Guńka, Piotr A. [Warsaw University of Technology (↗
DOE OSTI2024

A three-point velocity estimation method for two-dimensional coarse-grained imaging data

Time delay and velocity estimation methods have been widely studied subjects in the context of signal processing, with applications in many different fields of physics. The velocity of waves or coherent fluctuation structures is commonly estimated as the distance between two measurement points divided by the time lag that maximizes the cross correlation function between the measured signals, but this is demonstrated to result in erroneous estimates for two spatial dimensions. We present an improved method to accurately estimate both components of the velocity vector, relying on three non-aligned measurement points. We introduce a stochastic process describing the fluctuations as a superposition of uncorrelated pulses moving in two dimensions. Using this model, we show that the three-point velocity estimation method, using time delays calculated through cross correlations, yields the exact velocity components when all pulses have the same velocity. The two- and three-point methods are tested on synthetic data generated from realizations of such processes for which the underlying velocity components are known. The results reveal the superiority of the three-point technique. Finally, we demonstrate the applicability of the velocity estimation on gas puff imaging data of strongly intermittent plasma fluctuations due to the radial motion of coherent, blob-like structures at the boundary of the Alcator C-Mod tokamak.

Materials Science↗
DOE OSTI2022

Can electric fields drive chemistry for an aqueous microdroplet?

Abstract Reaction rates of common organic reactions have been reported to increase by one to six orders of magnitude in aqueous microdroplets compared to bulk solution, but the reasons for the rate acceleration are poorly understood. Using a coarse-grained electron model that describes structural organization and electron densities for water droplets without the expense of ab initio methods, we investigate the electric field distributions at the air-water interface to understand the origin of surface reactivity. We find that electric field alignments along free O–H bonds at the surface are ~16 MV/cm larger on average than that found for O–H bonds in the interior of the water droplet. Furthermore, electric field distributions can be an order of magnitude larger than the average due to non-linear coupling of intramolecular solvent polarization with intermolecular solvent modes which may contribute to even greater surface reactivity for weakening or breaking chemical bonds at the droplet surface.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Influence of strain and dislocations on GaSb/GaAs quantum dots: From nested to staggered band alignment

We investigate the influence of strain and dislocations on band alignment in GaSb/GaAs quantum dot systems. Composition profiles from cross-sectional scanning tunneling microscopy images are interpolated onto a finite element mesh in order to calculate the distribution of local elastic strain, which is converted to a spatially varying band alignment using deformation potential theory. Our calculations predict that dislocation-induced strain relaxation and charging lead to significant local variations in band alignment. Furthermore, misfit strain induces a transition from a nested (type I) to a staggered (type II) band alignment. Although dislocation-induced strain relaxation prevents the type I to type II transition, electrostatic charging at dislocations induces the staggered band alignment once again.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Driven superconducting vortex dynamics in systems with twofold anisotropy in the presence of pinning

Abstract We examine the dynamics of superconducting vortices with twofold anisotropic interaction potentials driven over random pinning, and compare the behavior under drives applied along the hard and the soft anisotropy directions. As the driving force increases, the number of topological defects reaches a maximum near the depinning threshold, and then decreases as the vortices form one-dimensional (1D) chains. This coincides with a transition from a pinned nematic to a moving smectic aligned with the soft anisotropy direction. The system is generally more ordered when the drive is applied along the soft direction of the anisotropy. For driving along the hard direction, there is a critical value of the twofold anisotropy above which the system remains aligned with the soft direction. Hysteretic behavior appears upon cycling the driving force, with 1D vortex chains persisting during the decreasing leg below the threshold for chain formation for increasing drive. More anisotropic systems have a greater amount of structural disorder in the moving state. For lower anisotropy, the system forms a moving smectic-A state, while at higher anisotropy, a moving nematic state appears instead.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electron-Only Magnetic Reconnection and Inverse Magnetic-Energy Transfer at Subion Scales

We derive, and validate numerically, an analytical model for electron-only magnetic reconnection applicable to strongly magnetized plasmas. Our model predicts subion-scale reconnection rates significantly higher than those pertaining to large-scale reconnection, aligning with recent observations and simulations. Here, we apply this reconnection model to the problem of inverse magnetic energy transfer at subion scales. We derive time-dependent scaling laws for the magnetic energy decay and the typical magnetic structure dimensions that differ from those previously found in the magnetohydrodynamics regime. These scaling laws are validated via two- and three-dimensional simulations, demonstrating that subion-scale magnetic fields can reach large, system-size scales via successive coalescence.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Vertical canopy gradients of respiration drive plant carbon budgets and leaf area index

Despite its importance for determining global carbon fluxes, leaf respiration remains poorly constrained in land surface models (LSMs). We tested the sensitivity of the Energy Exascale Earth System Model Land Model – Functionally Assembled Terrestrial Ecosystem Simulator (ELM-FATES) to variation in the canopy gradients of leaf maintenance respiration (R dark ). We ran global and point simulations varying the canopy gradient of R dark to explore the impacts on forest structure, composition, and carbon cycling. In global simulations, steeper canopy gradients of R dark lead to increased understory survival and leaf biomass. Leaf area index (LAI) increased up to 77% in tropical regions compared with the default parameterization, improving alignment with remotely sensed benchmarks. Global vegetation carbon varied from 308 Pg C to 449 Pg C across the ensemble. In tropical forest simulations, steeper gradients of R dark had a large impact on successional dynamics. Results show the importance of canopy gradients in leaf traits and fluxes for determining plant carbon budgets and emergent ecosystem properties such as competitive dynamics, LAI, and vegetation carbon. The high-model sensitivity to canopy gradients in R dark highlights the need for more observations of how leaf traits and fluxes vary along light micro-environments to inform critical dynamics in LSMs.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2025

Single-distance nano-holotomography with coded apertures

High-resolution phase-contrast 3D imaging using nano-holotomography typically requires collecting multiple tomograms at varying sample-to-detector distances, usually 3 to 4. This multi-distance approach limits temporal resolution, making it impractical for operando studies. Moreover, shifting the sample complicates reconstruction, requiring precise alignment, registration, and interpolation to correct for shift-dependent magnification on the detector. In response, we propose and validate through simulations a novel, to the best of our knowledge, single-distance approach that leverages coded apertures to structure beam illumination while the sample rotates. Finally, this approach relies on a joint reconstruction scheme, which integrates phase retrieval with 3D tomography, ensuring data consistency and achieving artifact-free reconstructions from a single distance, unlocking dynamic experiments.

Nikitin, Viktor [Argonne National Laboratory (ANL)↗
DOE OSTI2025

Position-Dependent Neutron Time-of-Flight Deviation at VULCAN Diffractometer

In neutron diffraction, it is critical to precisely measure the lattice spacing, as it is an indicator of a material’s physical characteristics, such as lattice strain, thermal expansion, and phase structures. In time-of-flight (TOF) measurements, the lattice spacing is determined by the recorded TOF from a well-calibrated instrument. However, changes in neutron time-of-flight are sensitive to many factors, such as the alignment of instrument optics, temperature, sample positions, sample dimensions, internal strains, and chemical or physical heterogeneities at the grain level. At VULCAN (SNS, ORNL), which is a high-flux engineering neutron diffractometer, we used a 1-mm-diameter diamond powder sample to scan for changes in TOF by measuring d-spacing values at different sample positions under several configurations. The 2D map of the TOF deviation or d-spacing deviation, in terms of lattice shift/lattice strain, is reported. The change in TOF is dependent on the scanned location in the beam as well as on detector locations. The results are informative for experimental planning, data interpretation, and future instrument design.

36 MATERIALS SCIENCE↗
NASA NTRS1972

Review of magnetic field observations.

Recent observations in previously unexplored regions of the magnetosphere, particularly in the polar-cusp region, compliment and reinforce emphasis on particle access to the plasma sheet via the polar neutral points. Significant distortions of the geomagnetic field in the polar-cusp region suggest field-aligned currents at large geocentric distances which can be related to low-altitude polar-cap phenomena. Studies of the microstructure of the field reversal region of the plasma sheet embedded in the geomagnetic tail suggest a periodic structure of more complexity than earlier assumed simplified single neutral-line models.

Ness, N. F.↗
NASA NTRS1986

Jet activity in the symbiotic variable R Aquarii

Low-resolution ultraviolet spectra of the R Aquarii jet have been obtained with the International Ultraviolet Explorer (IUE). The most recent IUE observations indicate the ionization state of the jet is increasing. Subarcsecond, Very Large Array observations of R Aquarii have resolved the radio-continuum structure into discrete parcels of emission that are extended and nearly collinear. R Aquarii provides evidence that indicates stellar jet activity is not unique to objects associated with high-energy emission processes alone. Rather, the nature of the aligned radio-optical features that comprise the R Aquarii jet indicate that directional mass expulsion, in the form of discrete-collimated ejecta, probably reflect a general, underlying, physical process associated with a wide variety of peculiar stellar objects. As such, the R Aquarii jet constitutes a prototype for jet activity in composite or peculiar emission stars.

Michalitsianos, A. G.↗
NASA NTRS1987

Polarized fluorescence spectroscopy of O2(+)

Polarized fluorescence measurements involving the A 2Pi(u) - X 2Pi(g) and b 4Sigma(g)(-) - a 4Pi(u) transitions in O2(+) following narrow-band photoexcitation of O2/X 3Sigma(g)(-)/ are reported. The analysis, based on the conventional high-J limit, involves deducing the quadrupole alignment factor from which the relative strengths of degenerate photoexcitation channels responsible for the population distribution in the A 2Pi(u) and b 4Sigma(g)(-) states of O2(+) can be estimated. The measured A-channel polarization exhibits pronounced structure which correlates well with the known positions of Rydberg states, whereas the polarization signal in the b channel has broad and less prominent features. Discrepancies between theoretical and measured results can largely be accounted for by additional configuration mixing and autoionization considerations.

Keller, J. W.↗
NASA NTRS1989

Apparatus Impregnates Weak Fibers

Low-cost apparatus developed for use in conventional drum winding machine to impregnate fibrous materials having very low tensile strengths. Fiber fitted onto freely-spinning unwinding creel. Unwinds from creel between two tension bars onto guide spools, aligns fiber so properly enters sealed reservoir of resin. Stainless-steel metering die at entrance to reservoir aligns fiber and seals reservoir. Beneficial results obtained by use of reservoir made of polyethylene. Composite material made from resin matrices reinforced by fibers have great potential for solving challenging and often critical problems in design of spacecraft, space structures, and terrestrial structures.

Stanfield, Clarence E.↗
NASA NTRS1989

Observations of ionosphere/magnetosphere interactions from the Dynamics Explorer satellites

The Dynamics Explorer program was a dual spacecraft mission designed to study the interactions between the upper atmosphere, ionosphere and magnetosphere. The global auroral images acquired from the high altitude spacecraft have provided a revolutionary new time-dependent frame of reference for the interpretation of data acquired in situ. Using data especially from the low altitude spacecraft, interrelationships are developed between the various electrodynamic parameters measured. Ionospheric irregularities are found to be especially intense in regions of electric field convection shears, which are closely related to the dusk hemisphere field-aligned currents. These region 1 currents are spatially connected to the boundary plasma sheet electron precipitation. At all local times, there appears to be a universal relationship between regions where div E is less than 0 and electron precipitation structures. Depending upon the characteristics of the electrons bombarding the atmosphere, the atmosphere will radiate various spectral optical emissions, which can be imaged from high above the polar caps, with temporal resolution sufficient to follow the time-dependent evolution of a substorm. It is concluded that with further detailed analyses of the electrodynamic parameters obtained from in situ measurements, analyses of auroral images will yield specific information on many of the important ionospheric parameters over an entire auroral oval and polar cap, including regions of intense ionospheric irregularities.

Hoffman, R. A.↗
NASA NTRS1990

Optimal expression evaluation for data parallel architectures

A data parallel machine represents an array or other composite data structure by allocating one processor (at least conceptually) per data item. A pointwise operation can be performed between two such arrays in unit time, provided their corresponding elements are allocated in the same processors. If the arrays are not aligned in this fashion, the cost of moving one or both of them is part of the cost of the operation. The choice of where to perform the operation then affects this cost. If an expression with several operands is to be evaluated, there may be many choices of where to perform the intermediate operations. An efficient algorithm is given to find the minimum-cost way to evaluate an expression, for several different data parallel architectures. This algorithm applies to any architecture in which the metric describing the cost of moving an array is robust. This encompasses most of the common data parallel communication architectures, including meshes of arbitrary dimension and hypercubes. Remarks are made on several variations of the problem, some of which are solved and some of which remain open.

Gilbert, John R.↗