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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2021

Deposition control of model glasses with surface-mediated orientational order

We introduce a minimal model of solid-forming anisotropic molecules that displays, in thermal equilibrium, surface orientational order without bulk orientational order. The model reproduces the nonequilibrium behavior of recent experiments in which a bulk nonequilibrium structure grown by deposition contains regions of orientational order characteristic of the surface equilibrium. This order is deposited, in general, in a nonuniform way because of the emergence of a growth-poisoning mechanism that causes equilibrated surfaces to grow slower than non-equilibrated surfaces. We use evolutionary methods to design oscillatory protocols able to grow nonequilibrium structures with uniform order, demonstrating the potential of protocol design for the fabrication of this class of materials.

Whitelam, Stephen (ORCID:0000000200866803)↗
DOE OSTI2023

Symmetry-specific characterization of bond orientation order in DNA-assembled nanoparticle lattices

Bond-orientational order in DNA-assembled nanoparticles lattices is explored with the help of recently introduced Symmetry-specific Bond Order Parameters (SymBOPs). Here, this approach provides a more sensitive analysis of local order than traditional scalar BOPs, facilitating the identification of coherent domains at the single bond level. The present study expands the method initially developed for assemblies of anisotropic particles to the isotropic ones or cases where particle orientation information is unavailable. The SymBOP analysis was applied to experiments on DNA-frame-based assembly of nanoparticle lattices. It proved highly sensitive in identifying coherent crystalline domains with different orientations, as well as detecting topological defects, such as dislocations. Furthermore, the analysis distinguishes individual sublattices within a single crystalline domain, such as pair of interpenetrating FCC lattices within a cubic diamond. The results underscore the versatility and robustness of SymBOPs in characterizing ordering phenomena, making them valuable tools for investigating structural properties in various systems.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2024

Long-term relaxation of orientational disorder and structural modifications in molecular nitrogen at high pressure

Up to 17 GPa, the crystalline phases of N 2 are characterized by pronounced orientational disorder, whereas the higher-pressure phases of molecular N 2 are ordered. This raises the question about long-term relaxation of orientational disorder within the low- to intermediate-pressure regime. Here, in this study, this question is addressed by comparing synthetic with natural, chemically pure, solid N 2 that resides as inclusions in diamonds at 300 K for about 10 8 years at pressures up to 11 GPa. It is shown that disorder prevails at 8.7 GPa, 300 K, where both synthetic and natural N 2 assume the same structure. However, at 10.8 GPa, natural solid N 2 exhibits monoclinic distortion and partial orientational ordering of the molecules, both of which are not observed in synthetic material. This difference is interpreted as the result of long-term structural relaxation. The ordering mechanism is examined and placed into the context of the δ- to ε-N 2 transition. We present explanations for the absence of complete ordering of δ-N 2 .

Tschauner, Oliver↗
DOE OSTI2013

The interaction of two coronal mass ejections: Influence of relative orientation

We report on a numerical investigation of two coronal mass ejections (CMEs) that interact as they propagate in the inner heliosphere. We focus on the effect of the orientation of the CMEs relative to each other by performing four different simulations with the axis of the second CME rotated by 90° from one simulation to the next. Each magnetohydrodynamic simulation is performed in three dimensions with the Space Weather Modeling Framework in an idealized setting reminiscent of solar minimum conditions. We extract synthetic satellite measurements during and after the interaction and compare the different cases. We also analyze the kinematics of the two CMEs, including the evolution of their widths and aspect ratios. We find that the first CME contracts radially as a result of the interaction in all cases, but the amount of subsequent radial expansion depends on the relative orientation of the two CMEs. Reconnection between the two ejecta and between the ejecta and the interplanetary magnetic field determines the type of structure resulting from the interaction. When a CME with a high inclination with respect to the ecliptic overtakes one with a low inclination, it is possible to create a compound event with a smooth rotation in the magnetic field vector over more than 180°. Due to reconnection, the second CME only appears as an extended 'tail', and the event may be mistaken for a glancing encounter with an isolated CME. This configuration differs significantly from the one usually studied of a multiple-magnetic-cloud event, which we found to be associated with the interaction of two CMEs with the same orientation.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Is Jet Re-orientation the Elusive Trigger for Star Formation Suppression in Radio Galaxies?

Abstract Jet re-orientation associated with the time evolution of radio quasars explains the formation of X-shaped radio galaxies and their preference for isolated environments. But since X-shaped radio galaxies are generally not found in dense environments (e.g., groups/clusters), the jet re-orientation phenomenon for radio galaxies in groups and clusters has been ignored. We take a closer look at the re-orientation of FRI jets with respect to FRII jets, and find that it may constitute the as-yet unidentified trigger for star formation suppression in radio galaxies. We show how the recently explored radio “red geyser” galaxies can be interpreted in this context and ultimately reveal a deeper understanding of why FRII radio galaxies are on one side of the star formation enhancement/suppression divide compared to FRI radio galaxies.

Astronomy & Astrophysics↗
DOE OSTI2023

$S$ Hmax orientation in the Alpine region from observations of stress-induced anisotropy of nonlinear elasticity

The orientation of $S$ Hmax is commonly estimated from in situ borehole breakouts and earthquake focal mechanisms. Borehole measurements are expensive, and therefore sparse, and earthquake measurements can only be made in regions with many well-characterized earthquakes. Here, we derive the stress-field orientation using stress-induced anisotropy in nonlinear elasticity. In this method, we measure the strain derivative of velocity as a function of azimuth. We use a natural pump-probe (NPP) approach which consists of measuring elastic wave speed using empirical Green’s functions (probe) at different points of the earth tidal strain cycle (pump). The approach is validated using a larger data set in the Northern Alpine Foreland region where the orientation of maximum horizontal compressive stress is known from borehole breakouts and drilling-induced fractures. The technique resolves NNW-SSW to N-S directed $S$ Hmax which is in good agreement with conventional methods and the recent crustal stress model. We confirm that the NPP method can be applied to dense large-scale seismic arrays. The technique is then applied to the Southern Alps to understand the contemporary stress pattern associated with the ongoing deformation due to counterclockwise rotation of the Adriatic plate with respect to the European plate. Our results explain why the two major faults in Northeastern Italy, the Giudicarie Fault and the Periadriatic Line (Pustertal–Gailtal Fault) are currently inactive, while the currently acting stress field allows faults in Slovenia to deform actively. We have demonstrated that the pump-probe method has the potential to fill in the measurement gap left by conventional approaches, both in terms of regional coverage and in depth.

58 GEOSCIENCES↗
DOE OSTI2023

Critical assessment of the recent report on the gigaparsec-scale correlation of the orientations of large quasar groups

ABSTRACT Recently, it was reported that large quasar groups (LQGs) identified from the Sloan Digital Sky Survey (SDSS) data release seven catalogue are not randomly oriented but preferentially aligned or orthogonal over scales 1–2 Gpc. To confirm this claim, I reproduced the same LQG sample and performed Sobolev tests of uniformity on the LQG orientation axes in the redshift space. Contrary to the original report based on the bimodal distribution of the LQG position angles in the sky, I found no departure from uniformity in the distribution of the LQG orientation axes. I also examined whether the LQGs are physical structures using a statistically more reliable data set constructed from the SDSS data release 16 (DR16) large-scale structure (LSS) quasar catalogue. Considering the Gaussian primordial density fluctuations and shot noise, I estimated the mass density contrasts of the LQGs from the number counts of the DR16 LSS quasars and found that most of the LQGs do not trace statistically significant high-density regions. I conclude that the LQG sample is a collection of unphysical chance associations and should not be used for any cosmological studies.

Fujii, Hirokazu (ORCID:0000000161473512)↗
DOE OSTI2025

Attosecond Optical Orientation

Circularly polarized light offers opportunities to probe symmetry-dependent properties of matter such as chirality and spin. Circular-dichroic measurements typically require further intrinsic or extrinsic breaking of symmetry by, e.g., enantiomeric excess, orientation, magnetic fields, or direction-sensitive detectors. Here we introduce circular-dichroic attosecond transient absorption spectroscopy by leveraging the angular momentum of two circularly polarized pulses, both pump and probe, in an isotropic medium, optically orienting the angular momentum of excited states on an attosecond timescale. We investigate a circular-dichroic measurement of the attosecond transient absorption of He Rydberg states. By limiting the allowed pathways via dipole selection rules for co- and counterrotating circularly polarized near-infrared and extreme ultraviolet (XUV) pulses, different spectral reshapings of the XUV transient absorption due to the AC Stark effect are observed. Furthermore, paired with time-dependent Schrödinger equation calculations, the results show the role of selection and propensity rules and open up new opportunities to study coupling pathways of excited states as well as spin-dependent dynamics in atoms and beyond via attosecond optical orientation.

Angular momentum of light↗
DOE OSTI2023

Quantum tracking control of the orientation of symmetric-top molecules

The goal of quantum tracking control is to identify shaped fields to steer observable expectation values along designated time-dependent tracks. The fields are determined via an iteration-free procedure, which is based on inverting the underlying dynamical equations governing the controlled observables. In this paper, we generalize the ideas in [Phys. Rev. A 98, 043429 (2018)] to the task of orienting symmetric top molecules in three dimensions. To this end, we derive equations for the control fields capable of directly tracking the expected value of the three-dimensional dipole orientation vector along a desired path in time. In conclusion, we show this framework can be utilized for tracking the orientation of linear molecules as well, and present numerical illustrations of these principles for symmetric-top tracking control problems.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

Using Fourier-Plane Imaging Microscopy for Determining Transition-Dipole-Moment Orientations in Organic Light-Emitting Devices

Here, we use Fourier-plane imaging microscopy (FIM) to determine the transition-dipole-moment orientation in doped organic emissive thin films. The use of FIM enables precise, sensitive, and rapid measurement of dipole orientation in the emission layer of an organic light-emitting device (OLED). An optical model of a stratified birefringent multilayer is introduced for interpreting results obtained by FIM. Using the model, we determine the average orientation of transition-dipole-moment vectors of three phosphorescent dopant emitters. The dipole alignment measured by FIM quantitatively explains the difference in OLED efficiencies using these archetype dopant molecules. FIM provides a nondestructive tool to measure and ultimately improve the outcoupling efficiency of OLEDs and other light-emitting devices.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2020

In-plane Néel wall chirality and orientation of interfacial Dzyaloshinskii-Moriya vector in magnetic films

The interfacial Dzyaloshinskii-Moriya interaction (DMI) is of great interest as it can stabilize chiral spin structures in thin films. Experiments verifying the orientation of the interfacial DMI vector remain rare, in part due to the difficulty of separating vector components of DMI. In this study, Fe/Ni bilayers and Co/Ni multilayers were deposited epitaxially onto Cu(001) and Pt(111) substrates, respectively. By tailoring the effective anisotropy, spin reorientation transitions (SRTs) are employed to probe the orientation of the DMI vector by measuring the spin structure of domain walls on both sides of the SRTs. In our results, the interfacial DMI is found to be sufficiently strong to stabilize chiral Néel walls in the out-of-plane magnetized regimes, while achiral Néel walls are observed in the in-plane magnetized regimes. Furthermore, these findings experimentally confirm that the out-of-plane component of the DMI vector is insignificant in these fcc(001) and fcc(111) oriented interfaces, even in the presence of atomic steps.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Electronic structure, magnetic properties, spin orientation, and doping effect in Mn 3 Si 2 Te 6

The layered material Mn 3 Si 2 Te 6 , with alternating stacking honeycomb and triangular layers, is attracting considerable attention due to its rich physical properties. Here, in this study, using density functional theory and classical Monte Carlo (MC) methods, we systematically study this system with the 3d 5 electronic configuration. Near the Fermi level, the states are mainly contributed by Te 5p orbitals hybridized with Mn 3d orbitals, resembling a charge-transfer system. Furthermore, the spin orientations of the ferrimagnetic (FiM) ground state display different conductive behaviors when along the ab plane or out-of-plane directions: insulating vs metallic states. The energy difference between the FiM [110] insulating and FiM [001] metallic phases is very small (~0.71 meV/Mn) . Changing the angle θ of spin orientation from in-plane to out-of-plane directions, the band gaps of this system are gradually reduced, leading to an insulator-metal transition, resulting in an enhanced electrical conductivity, related to the colossal angular magnetoresistance (MR) effect. Although the three main magnetic couplings were found to be antiferromagnetic, overall the ground state is FiM. In addition, we also constructed the magnetic phase diagram using the classical XY spin model studied with the MC method. Three magnetic phases were obtained, including antiferromagnetic order, noncollinear spin patterns, and FiM order. Moreover, we also investigated the Se and Ge doping into the Mn 3 Si 2 Te 6 system: the FiM state has the lowest energy among the magnetic candidates for both Se- and Ge-doped cases. The magnetic anisotropy energy (MAE) decreases in the Se-doped case because the Mn orbital moment is reduced as the doping x increases. Due to the small spin-orbit-coupling effect of Se, the insulator-metal transition caused by the spin orientation disappears in the Se-doped case, resulting in an insulating phase in the FiM [001] phase. This causes a reduced colossal angular MR. However, both the MAE and the band gap of the Ge-doped case do not change much with increasing doping x . Our results for Mn 3 Si 2 Te 6 could provide guidance to experimentalists and theorists working on this system or related materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Orientation Dependence of the Critical Magnetic Field for Multiferroic BiFeO3

Multiferroic BiFeO3 undergoes a transition from a distorted spiral phase to a G-type antiferromagnet above a critical field Hc that depends on the orientation m of the field. We show that Hc(m) has a maximum when oriented along a cubic diagonal parallel to the electric polarization P and a minimum in the equatorial plane normal to P when two magnetic domains with the highest critical fields are degenerate. The measured critical field along a cubic axis is about 19 T but Hc is predicted to vary by as much as 2.5 T above and below this value. The orientational dependence of Hc(m) is more complex than indicated by earlier work, which did not consider the competition between magnetic domains.

Fishman, Randy Scott↗
DOE OSTI2019

Influence of the number of orientational domains on avalanche criticality in ferroelastic transitions

In this work, we study the relationship between avalanche criticality and the number of orientational domains in ferroelastic transitions. To this end, we use a general Ginzburg-Landau model appropriate for displacive transitions of the square lattice. The model includes disorder as a quenched distribution of local transition temperatures. We focus on the square-to-rectangle and the square-to-oblique ferroelastic transitions, which have two and four orientational domains, respectively, which in turn determine the corresponding degeneracy of the ground state of the system. The phase transitions are driven by temperature under the assumption of a strict athermal behavior. That is, we assume that thermal fluctuations do not play any role. Numerical results are obtained using a purely relaxational dynamics, and it is shown that both the square-to-rectangle and the square-to-oblique transitions occur intermittently in the form of avalanches. Avalanche sizes and avalanche energies are found to display power-law distributions, which corroborates avalanche criticality. We compare and contrast the dependence of avalanche criticality on the number of orientational domains of the low-symmetry phase. It is found that the critical exponents depend on that number, in agreement with recent experimental results.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Orientationally Glassy Crystals of Janus Spheres

Colloidal Janus spheres in water (one hemisphere attractive and the other repulsive) assemble into two-dimensional hexagonal crystals with orientational order controlled by anisotropic interactions. We exploit the decoupled translational and rotational order to quantify the orientational dynamics. Via imaging experiments and Monte Carlo simulations we demonstrate that the correlations in the orientation of individual Janus spheres exhibit glasslike dynamics that can be controlled via the ionic strength. Furthermore, these colloidal building blocks provide a particularly suitable model glass system for elucidating nontrivial dynamics arising from directional interactions, not captured by the consideration of just translational order.

42 ENGINEERING↗
DOE OSTI2018

Influence of chemical composition and crystallographic orientation on the interfacial magnetism in BiFe O 3 / L a 1 - x S r x Mn O 3 superlattices

The emergence of magnetism unique to the interface between the multiferroic BiFeO 3 (BFO) and ferromagnetic La 1-x Sr x MnO 3 (LSMO) offers an opportunity to control magnetism in nanoscale heterostructures with electric fields. Here, we investigate the influence of chemical composition and crystallographic orientation on the interfacial magnetism of BFO/LSMO superlattices. Our results reveal that the induced net magnetic moment in the BFO layers increases monotonically with increasing saturation magnetization of the LSMO layers. For the (100)-BFO/LSMO (x=0.2) superlattice, the induced moment reaches a record high value of ~2.8μ B /Fe. No interfacial magnetization is observed at the (100)-BFO/LSMO interface when LSMO is an antiferromagnet. In contrast to (100)-oriented superlattices, no induced moment is observed in (111)-BFO layers. Our results suggest the interfacial structural reconstruction may not be a sufficient condition for the enhanced net moment in BFO layer. Instead, spin canting induced by interfacial exchange coupling is proposed in the (100)- but not in the (111)-BFO, leading to the large net magnetization at the (100)-oriented interface. Lastly, this work further demonstrates the importance of exchange coupling across heterointerfaces for spin canting in nominally antiferromagnets, providing a pathway to control the magnetic properties of artificial oxide heterostructures.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Solvent minimization induces preferential orientation and crystal clustering in serial micro-crystallography on micro-meshes, in situ plates and on a movable crystal conveyor belt

X-ray diffraction data were obtained at the National Synchrotron Light Source from insulin and lysozyme crystals that were densely deposited on three types of surfaces suitable for serial micro-crystallography: MiTeGen MicroMeshes™, Greiner Bio-One Ltd in situ micro-plates, and a moving kapton crystal conveyor belt that is used to deliver crystals directly into the X-ray beam. 6° wedges of data were taken from ~100 crystals mounted on each material, and these individual data sets were merged to form nine complete data sets (six from insulin crystals and three from lysozyme crystals). Insulin crystals have a parallelepiped habit with an extended flat face that preferentially aligned with the mounting surfaces, impacting the data collection strategy and the design of the serial crystallography apparatus. Lysozyme crystals had a cuboidal habit and showed no preferential orientation. Preferential orientation occluded regions of reciprocal space when the X-ray beam was incident normal to the data-collection medium surface, requiring a second pass of data collection with the apparatus inclined away from the orthogonal. In addition, crystals measuring less than 20 µm were observed to clump together into clusters of crystals. Clustering required that the X-ray beam be adjusted to match the crystal size to prevent overlapping diffraction patterns. No additional problems were encountered with the serial crystallography strategy of combining small randomly oriented wedges of data from a large number of specimens. Lastly, high-quality data able to support a realistic molecular replacement solution were readily obtained from both crystal types using all three serial crystallography strategies.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Mapping nanocrystal orientations via scanning Laue diffraction microscopy for multi-peak Bragg coherent diffraction imaging

The recent commissioning of a movable monochromator at the 34-ID-C endstation of the Advanced Photon Source has vastly simplified the collection of Bragg coherent diffraction imaging (BCDI) data from multiple Bragg peaks of sub-micrometre scale samples. Laue patterns arising from the scattering of a polychromatic beam by arbitrarily oriented nanocrystals permit their crystal orientations to be computed, which are then used for locating and collecting several non-co-linear Bragg reflections. The volumetric six-component strain tensor is then constructed by combining the projected displacement fields that are imaged using each of the measured reflections via iterative phase retrieval algorithms. Complications arise when the sample is heterogeneous in composition and/or when multiple grains of a given lattice structure are simultaneously illuminated by the polychromatic beam. Here, a workflow is established for orienting and mapping nanocrystals on a substrate of a different material using scanning Laue diffraction microscopy. The capabilities of the developed algorithms and procedures with both synthetic and experimental data are demonstrated. The robustness is verified by comparing experimental texture maps obtained with Laue diffraction microscopy at the beamline with maps obtained from electron back-scattering diffraction measurements on the same patch of gold nanocrystals. Such tools provide reliable indexing for both isolated and densely distributed nanocrystals, which are challenging to image in three dimensions with other techniques.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗