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At least 1,063 records · Page 59

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DOE OSTI2025

Mechanistic Insight into Tunable Spin Relaxation in Two-Dimensional Type-II Ligand-Perovskite Heterostructures

Two-dimensional (2D) metal-halide perovskites with spin-dependent optical properties hold great promise for spintronic and quantum applications. However, their spin lifetimes, especially for n = 1 2D perovskites, are typically limited to subpicosecond time scales due to rapid spin relaxation driven by strong spin−orbit coupling (SOC), electron−hole exchange interactions, and phonon-mediated scattering. Here, we demonstrate that type-II ligand-perovskite heterostructures overcome these constraints by reducing electron−hole wave function overlap and exciton binding energy. Compared to the type-I 2D perovskite (PEA) 2 PbI 4 with a spin lifetime of 0.29 ps at room temperature, our engineered type-II systems achieve substantially extended spin lifetimes, ∼6.37 ps for (4Tm) 2 PbI 4 and ∼18.47 ps for (4TCNm) 2 PbI 4 . In both materials, spatial charge separation across the perovskite−ligand interface mitigates the Bir−Aronov− Pikus (BAP) mechanism. Temperature- and fluence-dependent measurements reveal Elliott−Yafet (EY)-dominated spin relaxation in (4Tm) 2 PbI 4 , consistent with the observation of coherent phonon oscillation, whereas (4TCNm) 2 PbI 4 exhibits D’yakonov−Perel (DP)-dominated spin relaxation, with weaker phonon coupling further suppressing the EY relaxation, enabling spin lifetimes up to ∼126.81 ps at 5 K. Our findings establish a structural design framework for tailoring spin dynamics in 2D perovskites, offering a promising strategy to engineering spin and optoelectronic properties via rational ligand engineering.

Excitons↗

DOE OSTI2021

Quasar clustering at redshift 6

Large-scale surveys over the last years have revealed about 300 quasi-stellar objects (QSOs) at redshifts above 6. Follow-up observations have identified surprising properties, such as the very high black hole (BH) masses, spatial correlations with surrounding cold gas of the host galaxy, and high CIV-MgII Velocity shifts. In particular, the discovery of luminous high-redshift quasars suggests that at least some BHs likely have high masses at birth and grow efficiently. Our aim is to quantify quasar pairs at high redshift for a large sample of objects. This provides a new key constraint on a combination of parameters related to the origin and assembly for the most massive BHs: formation efficiency and clustering, growth efficiency, and the relative contribution of BH mergers. We observed 116 spectroscopically confirmed QSOs around redshift 6 with the simultaneous seven-channel imager Gamma-ray Burst Optical/Near-infrared Detector in order to search for companions. Applying colour-colour cuts identical to those which led to the spectroscopically confirmed QSOs, we performed Le PHARE fits to the 26 best QSO pair candidates, and obtained spectroscopic observations for 11 of them. We do not find any QSO pair with a companion brighter than M 1450 (AB) < –26 mag within our 0.1–3.3 h –1 cMpc search radius, in contrast to the serendipitous findings in the redshift range 4–5. However, a small fraction of such pairs at this luminosity and redshift is consistent with indications from present-day cosmological-scale galaxy evolution models. In turn, the incidence of L- and T-type brown dwarfs, which occupy a similar colour space to z ~ 6 QSOs, is higher than expected, by a factor of 5 and 20, respectively.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2016

A method for distinguishing between propagons, diffusions, and locons

The majority of intuition on phonon transport has been derived from studies of homogenous crystalline solids, where the atomic composition and structure are periodic. For this specific class of materials, the solutions to the equations of motions for the atoms (in the harmonic limit) result in plane wave modulated velocity fields for the normal modes of vibration. However, it has been known for several decades that whenever a system lacks periodicity, either compositional or structural, the normal modes of vibration can still be determined (in the harmonic limit), but the solutions take on different characteristics and many modes may not be plane wave modulated. Previous work has classified the types of vibrations into three primary categories, namely, propagons, diffusions, and locons. One can use the participation ratio to distinguish locons, from propagons and diffusons, which measures the extent to which a mode is localized. However, distinguishing between propagons and diffusons has remained a challenge, since both are spatially delocalized. Here, we present a new method that quantifies the extent to which a mode's character corresponds to a propagating mode, e.g., exhibits plane wave modulation. This then allows for clear and quantitative distinctions between propagons and diffusons. By resolving this issue quantitatively, one can now automate the classification of modes for any arbitrary material or structure, subject to a single constraint that the atoms must vibrate stably around their respective equilibrium sites. Several example test cases are studied including crystalline silicon and germanium, crystalline silicon with different defect concentrations, as well as amorphous silicon, germanium, and silica.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2023

Deciphering phase evolution in complex metal oxide thin films via high-throughput materials synthesis and characterization

Discovery of structure-property relationships in thin film alloys of complex metal oxides enabled by high-throughput materials synthesis and characterization facilities is demonstrated here with a case-study. In this study, thin films of binary transition metal oxides (Ti–Zn) are prepared by pulsed laser deposition with continuously varying Ti:Zn ratio, creating combinatorial samples for exploration of the properties of this material family. The atomic structure and electronic properties are probed by spatially resolved techniques including x-ray absorption near edge structures (XANES) and x-ray fluorescence (XRF) at the Ti and Zn K-edge, x-ray diffraction, and spectroscopic ellipsometry. The observed properties as a function of Ti:Zn ratio are resolved into mixtures of five distinguishable phases by deploying multivariate curve resolution analysis on the XANES spectral series, under constraints set by results from the other characterization techniques. First-principles computations based on density function theory connect the observed properties of each distinct phase with structural and spectral characteristics of crystalline polymorphs of Ti–Zn oxide. Continuous tuning of the optical absorption edge as a function of Ti:Zn ratio, including the unusual observation of negative optical bowing, exemplifies a functional property of the film correlated to the phase evolution.

36 MATERIALS SCIENCE↗

NASA NTRS1986

Spectrophotometric observations of Comet Halley

Comet Halley was observed using an intensified dissector scanner spectrograph on the 2.7 m telescope at McDonald Observatory from Dec. 1984 through June 1986. Molecular emissions were first detected in February 1985 when CN was observed. Spatial maps probing different regions of the coma were made starting in November 1985. Haser model production rates were computed for each night's data. The brightness of Halley, and therefore the production rates, are variable on timescales of a day, with variations of a magnitude or more in this time period. Nonequilibrium chemical models were calculated using Giotto and Vega data as constraints and inputs. The variability of Halley cannot be explained solely by water sublimation, nor do the variations show the 52 to 53 hr period of rotation.

Cochran, A. L.↗

DOE OSTI2016

SUBMILLIMETER POLARIZATION OBSERVATION OF THE PROTOPLANETARY DISK AROUND HD 142527

We present the polarization observations toward the circumstellar disk around HD 142527 by using Atacama Large Millimeter/submillimeter Array at the frequency of 343 GHz. The beam size is 0.″51 × 0.″44, which corresponds to the spatial resolution of ∼71 × 62 au. The polarized intensity displays a ring-like structure with a peak located on the east side with a polarization fraction of P = 3.26 ± 0.02%, which is different from the peak of the continuum emission from the northeast region. The polarized intensity is significantly weaker at the peak of the continuum where P = 0.220 ± 0.010%. The polarization vectors are in the radial direction in the main ring of the polarized intensity, while there are two regions outside at the northwest and northeast areas where the vectors are in the azimuthal direction. If the polarization vectors represent the magnetic field morphology, the polarization vectors indicate the toroidal magnetic field configuration on the main ring and the poloidal fields outside. On the other hand, the flip of the polarization vectors is predicted by the self-scattering of thermal dust emission due to the change of the direction of thermal radiation flux. Therefore, we conclude that self-scattering of thermal dust emission plays a major role in producing polarization at millimeter wavelengths in this protoplanetary disk. Also, this puts a constraint on the maximum grain size to be approximately 150 μ m if we assume compact spherical dust grains.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS2009

Hybrid NN/SVM Computational System for Optimizing Designs

A computational method and system based on a hybrid of an artificial neural network (NN) and a support vector machine (SVM) (see figure) has been conceived as a means of maximizing or minimizing an objective function, optionally subject to one or more constraints. Such maximization or minimization could be performed, for example, to optimize solve a data-regression or data-classification problem or to optimize a design associated with a response function. A response function can be considered as a subset of a response surface, which is a surface in a vector space of design and performance parameters. A typical example of a design problem that the method and system can be used to solve is that of an airfoil, for which a response function could be the spatial distribution of pressure over the airfoil. In this example, the response surface would describe the pressure distribution as a function of the operating conditions and the geometric parameters of the airfoil. The use of NNs to analyze physical objects in order to optimize their responses under specified physical conditions is well known. NN analysis is suitable for multidimensional interpolation of data that lack structure and enables the representation and optimization of a succession of numerical solutions of increasing complexity or increasing fidelity to the real world. NN analysis is especially useful in helping to satisfy multiple design objectives. Feedforward NNs can be used to make estimates based on nonlinear mathematical models. One difficulty associated with use of a feedforward NN arises from the need for nonlinear optimization to determine connection weights among input, intermediate, and output variables. It can be very expensive to train an NN in cases in which it is necessary to model large amounts of information. Less widely known (in comparison with NNs) are support vector machines (SVMs), which were originally applied in statistical learning theory. In terms that are necessarily oversimplified to fit the scope of this article, an SVM can be characterized as an algorithm that (1) effects a nonlinear mapping of input vectors into a higher-dimensional feature space and (2) involves a dual formulation of governing equations and constraints. One advantageous feature of the SVM approach is that an objective function (which one seeks to minimize to obtain coefficients that define an SVM mathematical model) is convex, so that unlike in the cases of many NN models, any local minimum of an SVM model is also a global minimum.

Rai, Man Mohan↗

DOE OSTI2016

Millihertz quasi-periodic oscillations in 4U 1636-536: putting possible constraints on the neutron star size

Based on previous studies of quasi-periodic oscillations (QPOs) in neutron star (NS) low-mass X-ray binaries, mHz QPOs are believed to be related to “marginally stable” burning on the NS surface. Our study of phase-resolved energy spectra of these oscillations in 4U 1636–53 shows that the oscillations are not caused by variations in the blackbody temperature of the NS, but reveals a correlation between the change of the count rate during the mHz QPO pulse and the spatial extent of a region emitting blackbody emission. The maximum size of the emission area, R{sub BB}{sup 2}=216.7{sub −86.4}{sup +93.2} km{sup 2}, provides direct evidence that the oscillations originate from a variable surface area constrained on the NS and are therefore not related to instabilities in the accretion disk. The obtained lower limit on the size of the NS (11.0 km) rules out equations of state that prefer small NS radii. Observations of mHz QPOs in NS LMXBs with NICER and eXTP will reduce the statistical uncertainty in the lower limit on the NS radius, which together with better estimates of the hardening factor and distance, will allow for improved discrimination between different equations of state and compact star models. Furthermore, future missions will allow us to measure the peak blackbody emission area for a single mHz QPO pulse, which will push the lower limit to larger radii.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2012

GAS DISTRIBUTION, KINEMATICS, AND EXCITATION STRUCTURE IN THE DISKS AROUND THE CLASSICAL Be STARS {beta} CANIS MINORIS AND {zeta} TAURI

Using CHARA and VLTI near-infrared spectro-interferometry with hectometric baseline lengths (up to 330 m) and with high spectral resolution (up to {lambda}/{Delta}{lambda} = 12, 000), we studied the gas distribution and kinematics around two classical Be stars. The combination of high spatial and spectral resolution achieved allows us to constrain the gas velocity field on scales of a few stellar radii and to obtain, for the first time in optical interferometry, a dynamical mass estimate using the position-velocity analysis technique known from radio astronomy. For our first target star, {beta} Canis Minoris, we model the H+K-band continuum and Br{gamma}-line geometry with a near-critical rotating stellar photosphere and a geometrically thin equatorial disk. Testing different disk rotation laws, we find that the disk is in Keplerian rotation (v(r){proportional_to}r{sup -0.5{+-}0.1}) and derive the disk position angle (140 Degree-Sign {+-} 1.{sup 0}7), inclination (38.{sup 0}5 {+-} 1 Degree-Sign ), and the mass of the central star (3.5 {+-} 0.2 M{sub Sun }). As a second target star, we observed the prototypical Be star {zeta} Tauri and spatially resolved the Br{gamma} emission as well as nine transitions from the hydrogen Pfund series (Pf 14-22). Comparing the spatial origin of the different line transitions, we find that the Brackett (Br{gamma}), Pfund (Pf 14-17), and Balmer (H{alpha}) lines originate from different stellocentric radii (R{sub cont} < R{sub Pf} < R{sub Br{gamma}} {approx} R{sub H{alpha}}), which we can reproduce with an LTE line radiative transfer computation. Discussing different disk-formation scenarios, we conclude that our constraints are inconsistent with wind compression models predicting a strong outflowing velocity component, but support viscous decretion disk models, where the Keplerian-rotating disk is replenished with material from the near-critical rotating star.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2014

Strong gravitational lensing as a tool to investigate the structure of jets at high energies

The components of blazar jets that emit radiation span a factor of 10{sup 10} in scale. The spatial structure of these emitting regions depends on the observed energy. Photons emitted at different sites cross the lens plane at different distances from the mass-weighted center of the lens. Thus there are differences in magnification ratios and time delays between the images of lensed blazars observed at different energies. When the lens structure and redshift are known from optical observations, these constraints can elucidate the structure of the source at high energies. At these energies, current technology is inadequate to resolve these sources, and the observed light curve is thus the sum of the images. Durations of γ-ray flares are short compared with typical time delays; thus both the magnification ratio and the time delay can be measured for the delayed counterparts. These measurements are a basis for localizing the emitting region along the jet. To demonstrate the power of strong gravitational lensing, we build a toy model based on the best studied and the nearest relativistic jet M87.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2020

Multi-objective Optimization Paradigm for Toroidal Inductors with Spatially Tuned Permeability

Spatially tuning core permeability of an electromagnetic device enables superior performance. A permeability profile can be heuristically selected to improve the flux distribution in a device with a given geometry, but in order to fully leverage the capacity of spatial dependent permeability engineering, the geometry and the permeability should be optimized simultaneously. The work herein presented sets forth a multi-physics design optimization paradigm that includes the permeability profile tuning in the context of an inductor design. This approach enables the determination of Pareto optimal fronts consisting of a set of optimal solutions against competing objectives (e.g. mass and loss) under imposed constraints. To this end, analytical solutions of the heat transfer and electromagnetic formulations are derived for toroidal inductors. The software implemented in Matlab 2018b is available online as an attachment to this paper.

42 ENGINEERING↗

DOE OSTI2024

T -matrix analysis of static Wilson line correlators from lattice QCD at finite temperature

Here, we utilize a previously constructed thermodynamic T -matrix approach to the quark-gluon plasma (QGP) to derive constaints on its input by using results on Wilson line correlators (WLCs) of a static quark-antiquark pair from 2 + 1-flavor lattice-QCD (lQCD) computations with realistic pion mass. The self-consistent T -matrix results, which include previous constraints from the lQCD equation of state in the light-parton sector, can describe the lQCD data for WLCs fairly well once refinements of its driving kernel are applied. In particular, the input potential requires less screening than what has been inferred from previous T-matrix analyses. Pertinent predictions for the spectral and transport properties of the QGP are discussed, including the spatial diffusion coefficient for heavy quarks; the latter turns out to have a rather weak temperature dependence, in approximate agreement with recent unquenched lQCD results.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

NASA NTRS1988

Tidal dissipation, surface heat flow, and figure of viscoelastic models of Io

The deformation of Io, the tidal dissipation rate, and its interior spatial distribution are investigated by means of numerical simulations based on (1) a three-layer model (with dissipation in the mantle) or (2) a four-layer model (with dissipation in the asthenosphere). The mathematical derivation of the models is outlined; the selection of the input-parameter values is explained; the results are presented in extensive graphs and contour maps; and the constraints imposed on the models by observational data on the hot-spot distribution, tidal deformation, and gravity field are discussed in detail. It is found that both dissipation mechanisms may play a role on Io: model (2) is better able to explain the concentration of hot spots near the equator, while the presence of a large hot spot near the south pole (if confirmed by observations) would favor model (1).

Segatz, M.↗

DOE OSTI2017

Simplified Models for Accelerated Structural Prediction of Conjugated Semiconducting Polymers

We perform molecular dynamics simulations of poly(benzodithiophene-thienopyrrolodione) (BDT-TPD) oligomers in order to evaluate the accuracy with which unoptimized molecular models can predict experimentally characterized morphologies. The predicted morphologies are characterized using simulated grazing-incidence X-ray scattering (GIXS) and compared to the experimental scattering patterns. We find that approximating the aromatic rings in BDT-TPD with rigid bodies, rather than combinations of bond, angle, and dihedral constraints, results in 14% lower computational cost and provides nearly equivalent structural predictions compared to the flexible model case. The predicted glass transition temperature of BDT-TPD (410 +/- 32 K) is found to be in agreement with experiments. Predicted morphologies demonstrate short-range structural order due to stacking of the chain backbones (p-p stacking around 3.9 A), and long-range spatial correlations due to the self-organization of backbone stacks into 'ribbons' (lamellar ordering around 20.9 A), representing the best-to-date computational predictions of structure of complex conjugated oligomers. We find that expensive simulated annealing schedules are not needed to predict experimental structures here, with instantaneous quenches providing nearly equivalent predictions at a fraction of the computational cost of annealing. We therefore suggest utilizing rigid bodies and fast cooling schedules for high-throughput screening studies of semiflexible polymers and oligomers to utilize their significant computational benefits where appropriate.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

NASA NTRS1991

Inferring solar structure variations from photometric and helioseismic observations

Present large scale photometric and helioseismic data may be related to spatial and temporal deviations from an otherwise static, spherical solar convection zone (SCZ). New space experiments combine precise photometric, helioseismic, and magnetic observational capabilities (like SOHO and MDI) and will provide data needed to understand the interaction of magnetic fields and global scale circulation in the SCZ. Even simple physical arguments make it clear that the anticipated accuracy of these new experiments virtually guarantees new constraints on models of the SCZ.

Kuhn, J. R.↗

NASA NTRS1994

Contributions of cretaceus quiet zone natural remanent magnetization to Magsat anomalies in the Southwest Indian Ocean

The Magsat magnetic anomalies over the Southwest Indian Ocean are modeled using a combination of induced plus viscous remanent magnetization (IM/VRM) and natural remanent magnetization (NRM). Two broad, roughly parallel, SW to NE trending triple-peaked positive anomalies dominate the region, one lying south of Africa and the other north of Antarctica. Although these anomaly peaks generally correspond with the Agulhas Plateau/Maud Rise, Mozambique Plateau/Astrid Ridge, and Madagascar Ridge/Conrad Rise conjugate pairs, the IM/VRM contribution from structural characteristics (i.e., crustal thickness) accounts for only about 20% of the anomaly amplitudes. A spatially variable but observationally constrained NRM contribution in Cretaceous Quiet Zone (KQZ) crust is required to account for the location, shape, and amplitude contrast of these anomalies. Many crustal features in the Southwest Indian Ocean near Antarctica have little geophysical data to constrain their structure but do hagve tectonic conjugates near Africa for which much more geophysical data are generally available. Using geophysical and geological constraints from one member to model the magnetization structure of its conjugate reproduces the observed Magsat reduced-to-pole anomalies over both structures very well. This suggests that no significant alteration in their magnetization structure has occurred since the features split. Models of these conjugate structures show that IM/VRM reproduces the Magsat anomalies associated with non-KQZ crust but that both IM/VRM and a dominant NRM component are required to explain the anomalies associated with KQZ crust.

Fullerton, Lawrence G.↗

DOE OSTI2023

LensWatch. I. Resolved HST Observations and Constraints on the Strongly Lensed Type Ia Supernova 2022qmx (“SN Zwicky”)

Supernovae (SNe) that have been multiply imaged by gravitational lensing are rare and powerful probes for cosmology. Each detection is an opportunity to develop the critical tools and methodologies needed as the sample of lensed SNe increases by orders of magnitude with the upcoming Vera C. Rubin Observatory and Nancy Grace Roman Space Telescope. The latest such discovery is of the quadruply imaged Type Ia SN 2022qmx (aka, "SN Zwicky") at z = 0.3544. SN Zwicky was discovered by the Zwicky Transient Facility in spatially unresolved data. Here we present follow-up Hubble Space Telescope observations of SN Zwicky, the first from the multicycle "LensWatch (www.lenswatch.org)" program. We measure photometry for each of the four images of SN Zwicky, which are resolved in three WFC3/UVIS filters (F475W, F625W, and F814W) but unresolved with WFC3/IR F160W, and present an analysis of the lensing system using a variety of independent lens modeling methods. We find consistency between lens-model-predicted time delays (≲1 day), and delays estimated with the single epoch of Hubble Space Telescope colors (≲3.5 days), including the uncertainty from chromatic microlensing (~1–1.5 days). Our lens models converge to an Einstein radius of ${\theta }_{{\rm{E}}}=({0.168}_{-0.005}^{+0.009})^{\prime\prime} $, the smallest yet seen in a lensed SN system. The "standard candle" nature of SN Zwicky provides magnification estimates independent of the lens modeling that are brighter than predicted by $\sim {1.7}_{-0.6}^{+0.8}$ mag and $\sim {0.9}_{-0.6}^{+0.8}$ mag for two of the four images, suggesting significant microlensing and/or additional substructure beyond the flexibility of our image-position mass models.

79 ASTRONOMY AND ASTROPHYSICS↗

NASA NTRS1994

Constraints on molecular gas in cooling flows and powerful radio galaxies

We searched for molecular gas in a heterogeneous sample of five radio-loud galaxies (three of which are inferred to be in cooling flow clusters) using the Swedish-European Southern Observatory (Swedish-ESO) Submillimeter Telescope. We do not detect CO in emission in any of the cluster sources at a 3 sigma level of typically 15 mK. White et al. (1991) have suggested column densities of N(sub H) approximately 10(exp 21)/sq cm in these clusters with a spatial covering factor of order unity and a total mass of M approximately 10(exp 12) solar mass. Our limits are inconsistent with these column densities and spatial covering factor unless the molecular gas is very cold (kinetic temperature close to 2.7 K) or there only a few clouds along each line of sight. We estimate minimum temperatures in the range approximately 20-30 K. We find that clouds of atomic and molecular hydrogen require strict fine-tuning of parameter space in order to satisfy the requirements for the large column densities N(sub H) approximately 10(exp 21)/sq cm, unit covering factor, and a small number of clouds along the line of sight. Currently the only way molecular gas can be responsible for the X-ray absorption and still be consistent with our observations is if (1) there is of order one cloud along the line of sight and (2) the optical depth in C-12 1 to 0 is less than 10. In addition, we present a Very Large Array (VLA) image of NGC 4696 which suggests this object is a member of the class of 'amorphous cooling flow radio sources.' The C-12 1 to 0 line is detected in emission in PKS 0634-206, a classical double radio galaxy which is rich in extended optical emission line gas. The estimated molecular gas mass is M(sub mol) approximately 3 x 10(exp 9) solar mass and is much larger than that of the ionized component detected in hydrogen alpha suggesting that the emission-line nebula is radiation bounded.

O'Dea, Christopher P.↗