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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 793 records · Page 44
All sourcesNASA NTRSDOE OSTI
DOE OSTI2012

Light-induced first-order orientational transitions in a nematic liquid crystal in the presence of an ordinary wave

The effects of light-induced reorientation of the director of a nematic liquid crystal doped with dendrimer are investigated experimentally. The influence of light polarisation on the firstorder orientational transition that occurs with changing the light beam power is studied. An irreversible first-order orientational transition when changing the polarisation of light is discovered and examined. A theoretical description of the observed effects is presented.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2017

Reconstruction from limited single-particle diffraction data via simultaneous determination of state, orientation, intensity, and phase

Significance Single-particle diffraction is an emerging technique in which diffraction images are collected from individual particles, and is used to study molecular structure from multiple conformational states that may be inaccessible through other methods. However, determining structure from these experiments is challenging, since orientations and states of imaged particles are unknown and images are highly contaminated with noise. Furthermore, the number of useful images is often limited by achievable single-particle hit rates, currently around 0.1%. We introduce an iterative projection framework to simultaneously determine orientations, states, and molecular structure from limited single-particle data by leveraging structural constraints throughout the reconstruction. This framework offers a potential pathway to increasing the amount of information that can be extracted from single-particle diffraction.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2012

Binding Preferences, Surface Attachment, Diffusivity, and Orientation of a Family 1 Carbohydrate-Binding Module on Cellulose

Cellulase enzymes often contain carbohydrate-binding modules (CBMs) for binding to cellulose. The mechanisms by which CBMs recognize specific surfaces of cellulose and aid in deconstruction are essential to understand cellulase action. The Family 1 CBM from the Trichoderma reesei Family 7 cellobiohydrolase, Cel7A, is known to selectively bind to hydrophobic surfaces of native cellulose. It is most commonly suggested that three aromatic residues identify the planar binding face of this CBM, but several recent studies have challenged this hypothesis. Here, we use molecular simulation to study the CBM binding orientation and affinity on hydrophilic and hydrophobic cellulose surfaces. Roughly 43 {mu}s of molecular dynamics simulations were conducted, which enables statistically significant observations. We quantify the fractions of the CBMs that detach from crystal surfaces or diffuse to other surfaces, the diffusivity along the hydrophobic surface, and the overall orientation of the CBM on both hydrophobic and hydrophilic faces. The simulations demonstrate that there is a thermodynamic driving force for the Cel7A CBM to bind preferentially to the hydrophobic surface of cellulose relative to hydrophilic surfaces. In addition, the simulations demonstrate that the CBM can diffuse from hydrophilic surfaces to the hydrophobic surface, whereas the reverse transition is not observed. Lastly, our simulations suggest that the flat faces of Family 1 CBMs are the preferred binding surfaces. These results enhance our understanding of how Family 1 CBMs interact with and recognize specific cellulose surfaces and provide insights into the initial events of cellulase adsorption and diffusion on cellulose.

09 BIOMASS FUELS↗
DOE OSTI2011

The Rap1–Rgl–Ral signaling network regulates neuroblast cortical polarity and spindle orientation

A crucial first step in asymmetric cell division is to establish an axis of cell polarity along which the mitotic spindle aligns. Drosophila melanogaster neural stem cells, called neuroblasts (NBs), divide asymmetrically through intrinsic polarity cues, which regulate spindle orientation and cortical polarity. In this paper, we show that the Ras-like small guanosine triphosphatase Rap1 signals through the Ral guanine nucleotide exchange factor Rgl and the PDZ protein Canoe (Cno; AF-6/Afadin in vertebrates) to modulate the NB division axis and its apicobasal cortical polarity. Rap1 is slightly enriched at the apical pole of metaphase/anaphase NBs and was found in a complex with atypical protein kinase C and Par6 in vivo. Loss of function and gain of function of Rap1, Rgl, and Ral proteins disrupt the mitotic axis orientation, the localization of Cno and Mushroom body defect, and the localization of cell fate determinants. We propose that the Rap1–Rgl–Ral signaling network is a novel mechanism that cooperates with other intrinsic polarity cues to modulate asymmetric NB division.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2011

THE ACS SURVEY OF GALACTIC GLOBULAR CLUSTERS. XI. THE THREE-DIMENSIONAL ORIENTATION OF THE SAGITTARIUS DWARF SPHEROIDAL GALAXY AND ITS GLOBULAR CLUSTERS

We use observations from the Hubble Space Telescope Advanced Camera for Surveys (HST/ACS) study of Galactic globular clusters to investigate the spatial distribution of the inner regions of the disrupting Sagittarius dwarf spheroidal galaxy (Sgr). We combine previously published analyses of four Sgr member clusters located near or in the Sgr core (M54, Arp 2, Terzan 7, and Terzan 8) with a new analysis of diffuse Sgr material identified in the background of five low-latitude Galactic bulge clusters (NGC 6624, 6637, 6652, 6681, and 6809) observed as part of the ACS survey. By comparing the bulge cluster color-magnitude diagrams to our previous analysis of the M54/Sgr core, we estimate distances to these background features. The combined data from four Sgr member clusters and five Sgr background features provide nine independent measures of the Sgr distance and, as a group, provide uniformly measured and calibrated probes of different parts of the inner regions of Sgr spanning 20 Degree-Sign over the face of the disrupting dwarf. This allows us, for the first time, to constrain the three-dimensional orientation of Sgr's disrupting core and globular cluster system and compare that orientation to the predictions of an N-body model of tidal disruption. The density and distance of Sgr debris are consistent with models that favor a relatively high Sgr core mass and a slightly greater distance (28-30 kpc, with a mean of 29.4 kpc). Our analysis also suggests that M54 is in the foreground of Sgr by {approx}2 kpc, projected on the center of the Sgr dSph. While this would imply a remarkable alignment of the cluster and the Sgr nucleus along the line of sight, we cannot identify any systematic effect in our analysis that would falsely create the measured 2 kpc separation. Finally, we find that the cluster Terzan 7 has the most discrepant distance (25 kpc) among the four Sgr core clusters, which may suggest a different dynamical history than the other Sgr core clusters.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Triggering collapse of the presolar dense cloud core and injecting short-lived radioisotopes with a shock wave. IV. effects of rotational axis orientation

Both astronomical observations of the interaction of Type II supernova remnants (SNRs) with dense interstellar clouds as well as cosmochemical studies of the abundances of daughter products of short-lived radioisotopes (SLRIs) formed by supernova nucleosynthesis support the hypothesis that the Solar System's SLRIs may have been derived from a supernova. This paper continues a series devoted to examining whether or not such a shock wave could have triggered the dynamical collapse of a dense, presolar cloud core and simultaneously injected sufficient abundances of SLRIs to explain the cosmochemical evidence. Here, we examine the effects of shock waves striking clouds whose spin axes are oriented perpendicular, rather than parallel, to the direction of propagation of the shock front. The models start with 2.2 M{sub ⊙} cloud cores and shock speeds of 20 or 40 km s{sup −1}. Central protostars and protoplanetary disks form in all models, although with their disk spin axes aligned somewhat randomly. The disks derive most of their angular momentum not from the initial cloud rotation, but from the Rayleigh-Taylor fingers that also inject shock wave SLRIs. Injection efficiencies, f{sub i}, the fraction of the incident shock wave material injected into the collapsing cloud core, are ∼0.04–0.1 in these models, similar to when the rotation axis is parallel to the shock propagation direction. Evidently, altering the rotation axis orientation has only a minor effect on the outcome, strengthening the case for this scenario as an explanation for the Solar System's SLRIs.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2018

Effect of (1 1 1)-oriented strain on the structure and magnetic properties of La 0.7 Sr 0.3 MnO 3 thin films

Using strain, i.e. subtle changes in lattice constant in a thin film induced by the underlying substrate, opens up intriguing new ways to control material properties. We present a study of the effects of strain on structural and ferromagnetic properties of (1 1 1) pc -oriented La 0.7 Sr 0.3 MnO 3 epitaxial thin films grown on NdGaO 3 , SrTiO 3 , and DyScO 3 substrates. (The subscript pc denotes the pseudo-cubic symmetry.) The results show that La 0.7 Sr 0.3 MnO 3 assumes a monoclinic unit cell on NdGaO 3 and DyScO 3 and a rhombohedral unit cell on SrTiO 3 . For La 0.7 Sr 0.3 MnO 3 on NdGaO 3 and DyScO 3 a uniaxial magnetic anisotropy is found, while La 0.7 Sr 0.3 MnO 3 on SrTiO 3 is magnetically isotropic. The Néel model is used to explain the anisotropy of the thin films on NdGaO 3 and SrTiO 3 , however, for La 0.7 Sr 0.3 MnO 3 on DyScO 3 the effect of octahedral rotations needs to be included through the single ion model. Finally, through examination of the Curie temperature of the strained films we suggest that (1 1 1)-strain has a different effect on the Jahn-Teller splitting of e g and t 2g electron levels than what is seen in (0 0 1) pc -oriented La 0.7 Sr 0.3 MnO 3 thin films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Phase field model of uranium carbide solidification through a combined KKS and orientation field approach

A Phase Field model is developed combining the Orientation Field approach to modeling solidification with the Kim, Kim, Suzuki (KKS) method of modeling binary alloys. These combined methods produce a model capable of simulating randomly oriented second phase dendrites with discrete control of the solid-liquid interface energy and thickness. The example system of carbon (C) in a liquid uranium (U) melt is used as a test for the model. The formation of uranium carbide (UC) within a liquid U melt is simulated for isothermal conditions and compares well with experiments.

Bair, Jacob L. (ORCID:0000000333273323)↗
DOE OSTI2024

Cosmic topology. Part IIa. Eigenmodes, correlation matrices, and detectability of orientable Euclidean manifolds

Abstract If the Universe has non-trivial spatial topology, observables depend on both the parameters of the spatial manifold and the position and orientation of the observer. In infinite Euclidean space, most cosmological observables arise from the amplitudes of Fourier modes of primordial scalar curvature perturbations. Topological boundary conditions replace the full set of Fourier modes with specific linear combinations of selected Fourier modes as the eigenmodes of the scalar Laplacian. We present formulas for eigenmodes in orientable Euclidean manifolds with the topologiesE 1 –E 6 ,E 11 ,E 12 ,E 16 , andE 18 that encompass the full range of manifold parameters and observer positions, generalizing previous treatments. Under the assumption that the amplitudes of primordial scalar curvature eigenmodes are independent random variables, for each topology we obtain the correlation matrices of Fourier-mode amplitudes (of scalar fields linearly related to the scalar curvature) and the correlation matrices of spherical-harmonic coefficients of such fields sampled on a sphere, such as the temperature of the cosmic microwave background (CMB). We evaluate the detectability of these correlations given the cosmic variance of the observed CMB sky. We find that topologies where the distance to our nearest clone is less than about 1.2 times the diameter of the last scattering surface of the CMB give a correlation signal that is larger than cosmic variance noise in the CMB. This implies that if cosmic topology is the explanation of large-angle anomalies in the CMB, then the distance to our nearest clone is not much larger than the diameter of the last scattering surface. We argue that the topological information is likely to be better preserved in three-dimensional data, such as will eventually be available from large-scale structure surveys.

Astronomy & Astrophysics↗
DOE OSTI2019

Ellipticity of brightest cluster galaxies as tracer of halo orientation and weak-lensing mass bias

Weak-lensing measurements of the masses of galaxy clusters are commonly based on the assumption of spherically symmetric density profiles. Yet, the cold dark matter model predicts the shapes of dark matter haloes to be triaxial. Halo triaxiality, and the orientation of the major axis with respect to the line of sight, are expected to be the leading cause of intrinsic scatter in weak-lensing mass measurements. The shape of central cluster galaxies (brightest cluster galaxies; BCGs) is expected to follow the shape of the dark matter halo. In this work we investigate the use of BCG ellipticity as predictor of the weak-lensing mass bias in individual clusters compared to the mean. Using weak-lensing masses $M^{\rm WL}_{500}$ from the Weighing the Giants project, and M 500 derived from gas masses as low-scatter mass proxy, we find that, on average, the lensing masses of clusters with the roundest/most elliptical 25 percent of BCGs are biased ~20 percent high/low compared to the average, as qualitatively predicted by the cold dark matter model. For cluster cosmology projects utilizing weak-lensing mass estimates, the shape of the BCG can thus contribute useful information on the effect of orientation bias in weak-lensing mass estimates as well as on cluster selection bias.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2025

Orientation-dependent enhanced ionization in acetylene revealed by ultrafast cross-polarized pulse pairs

We investigate the orientation dependence of enhanced ionization (EI) during strong-field-driven nuclear motion in acetylene (C 2 ⁢H 2 ). Here, we both initiate and probe molecular dynamics in acetylene with intense 6-fs cross-polarized pulse pairs, separated by a variable delay. Following multiple ionization by the first pulse, acetylene undergoes simultaneous elongation of the carbon-carbon and carbon-hydrogen bonds, enabling further ionization by the second pulse and the formation of a very highly charged state, [C 2 ⁢H 2 ] 6+ . At small interpulse delays (< 20 fs), this enhancement occurs when the molecule is aligned to the probe pulse. Conversely, at large delays (> 40 fs), formation of [C 2 ⁢H 2 ] 6+ occurs when the molecule is aligned to the pump pulse. By analyzing the polarization and time dependence of sequentially ionized [C 2 ⁢H 2 ] 6+ , we resolve two transient alignments that both contribute to a large increase in the multiple ionization yield. In conclusion, this cross-polarized pulse pair scheme uniquely enables selective probing of deeply bound orbitals, providing new insights on orientation-dependent EI in highly charged hydrocarbons.

Atomic & molecular clusters↗
DOE OSTI2018

Singularity-free quantum tracking control of molecular rotor orientation

Quantum tracking control aims to identify applied fields to steer the expectation values of particular observables along desired paths in time. The associated temporal fields can be identified by inverting the underlying dynamical equations for the observables. However, fields found in this manner are often plagued by undesirable singularities. In this paper we consider a planar molecular rotor and derive singularity-free tracking expressions for the fields that steer the expectation of the orientation of the rotor along the desired trajectories in time. Lastly, simulations are presented that utilize two orthogonal control electric fields to drive the orientation of the rotor along a series of designated tracks.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2019

Controlling error orientation to improve quantum algorithm success rates

The success probability of a quantum algorithm constructed from noisy quantum gates cannot be accurately predicted from single-parameter metrics that compare noisy and ideal gates. We illustrate this concept by examining a system with coherent errors and comparing algorithm success rates for different choices of two-qubit gates that are constructed from composite pulse sequences, where the residual gate errors are related by a unitary transformation. As a result, all of the sequences have the same error relative to the ideal gate under any distance measure that is invariant under unitary transformations. However, the circuit success can vary dramatically by choosing error orientations that do not affect the final outcome and error orientations that cancel between conjugate controlled-nots, as demonstrated here with Clifford circuits, compiled Toffoli gates, and quantum simulation algorithms. Furthermore, the results point to the utility of both minimizing the error and optimizing the error direction and also to the advantages of using multiple control sequences for the same gate type within a single algorithm.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Crystal orientation dependence of interfacial magnetic anisotropy at heavy-metal/magnetic-garnet interfaces

Ferrimagnetic insulators capped with a heavy metal are becoming an increasingly interesting materials system in spintronics due to their unique ability for electrical manipulation and detection of magnetic states and spin textures via spin-orbit torques. The ability to engineer magnetic anisotropy is a powerful tool for tuning the recently discovered phenomena in these bilayers such as electrical switching or the stabilization of topological magnetic textures. Here, we observe large shifts in the magnetic anisotropy in Tm 3 Fe 5 O 13 and Y 3 Fe 5 O 12 thin films due to heavy-metal capping layers, which strongly depends on the orientation of the substrate and therefore the orientation of the epitaxial films. This work suggests large Rashba spin-orbit coupling at the metal/ferrimagneticinsulator interface, which can be engineered in spintronic devices that utilize spin-orbit torques for electrical control of the magnetization in magnetic insulators.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Thickness-independent transport in thin (001)-oriented cadmium arsenide films

The three-dimensional Dirac semimetal is a parent phase for a variety of topological phases that can be generated by tuning parameters in material growth or device operation. Notably, it has recently been found that cadmium arsenide, which is ordinarily a three-dimensional Dirac semimetal, can nevertheless realize a three-dimensional topological insulator in (001)-oriented films about 50-nm thick. In this work, we study the quantum Hall effect in thin (001)-oriented cadmium arsenide films, their thickness ranging from 12 to 24 nm. When the carrier density is kept approximately constant across the different films, quantum transport reveals an identical underlying picture. The result is shown to be consistent with the transport's origin in the surface states of a three-dimensional topological insulator, but problematic for a perspective in which the quantum Hall effect originates from the confined subbands of the bulk band structure. As a result, these thin-film results complement previous studies of the quantum Hall effect in 50-nm-thick films.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Resonant spin tunneling in randomly oriented nanospheres of Mn 12 acetate

We report measurements and theoretical analysis of resonant spin tunneling in randomly oriented nanospheres of a molecular magnet. Amorphous nanospheres of Mn₁₂ acetate have been fabricated and characterized by chemical, infrared, TEM, X-ray, and magnetic methods. Magnetic measurements have revealed sharp tunneling peaks in the field derivative of the magnetization that occur at the typical resonant field values for the Mn₁₂ acetate crystal in the field parallel to the easy axis.Theoretical analysis is provided that explains these observations. We argue that resonant spin tunneling in a molecular magnet can be established in a powder sample, without the need for a single crystal and without aligning the easy magnetization axes of the molecules. This is confirmed by re-analyzing the old data on a powdered sample of non-oriented micron-size crystals of Mn₁₂ acetate. In conclusion, our findings can greatly simplify the selection of candidates for quantum spin tunneling among newly synthesized molecular magnets.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Orientation of the ground-state orbital in CeCoIn 5 and CeRhIn 5

We present core level nonresonant inelastic x-ray scattering (NIXS) data of the heavy-fermion compounds CeCoIn 5 and CeRhIn 5 measured at the Ce N 4,5 edges. The higher than dipole transitions in NIXS allow determining the orientation of the Γ 7 crystal-field ground-state orbital within the unit cell. The crystal-field parameters of the Ce M In 5 compounds and related substitution phase diagrams have been investigated in great detail in the past; however, whether the ground-state wave function is the Γ + 7 (x 2 – y 2 ) or Γ – 7 ( xy orientation) remained undetermined. We show that the Γ – 7 doublet with lobes along the (110) direction forms the ground state in CeCoIn 5 and CeRhIn 5 . For CeCoIn 5 , however, we find also some contribution of the first excited state crystal-field state in the ground state due to the stronger hybridization of 4 f and conduction electrons, suggesting a smaller α 2 value than originally anticipated from x-ray absorption. In conclusion, a comparison is made to the results of existing density functional theory plus dynamical mean-field theory calculations.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

Spatial orientation of the fission fragment intrinsic spins and their correlations

New experimental and theoretical results obtained in 2021 made it acutely clear that more than 80 years after the discovery of nuclear fission we do not understand the generation and dynamics of fission fragment (FF) intrinsic spins well, in particular their magnitudes, their spatial orientation, and their correlations. The magnitude and orientation of the primary FFs have a crucial role in defining the angular distribution and correlation between the emitted prompt neutrons, and subsequent emission of statistical (predominantly $E1$) and stretched $E2$ $γ$ rays, and their correlations with the final fission fragments. Here, we present detailed microscopic evaluations of the FF intrinsic spins, for both even- and odd-mass FFs, and of their spatial correlations. In conclusion, these point to a well-defined three-dimensional FF intrinsic spin dynamics, characteristics absent in semiphenomenological studies, due to the presence of the twisting spin modes, which artificially were suppressed in semiphenomenological studies.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗