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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 1,549 records · Page 86
All sourcesNASA NTRSDOE OSTI
DOE OSTI2018

Theory-assisted determination of nano-rippling and impurities in atomic resolution images of angle-mismatched bilayer graphene

Ripples and impurity atoms are universally present in 2D materials, limiting carrier mobility, creating pseudo–magnetic fields, or affecting the electronic and magnetic properties. Scanning transmission electron microscopy (STEM) generally provides picometer-level precision in the determination of the location of atoms or atomic 'columns' in the in-image plane (xy plane). However, precise atomic positions in the z-direction as well as the presence of certain impurities are difficult to detect. Furthermore, images containing moiré patterns such as those in angle-mismatched bilayer graphene compound the problem by limiting the determination of atomic positions in the xy plane. Here, we introduce a reconstructive approach for the analysis of STEM images of twisted bilayers that combines the accessible xy coordinates of atomic positions in a STEM image with density-functional-theory calculations. The approach allows us to determine all three coordinates of all atomic positions in the bilayer and establishes the presence and identity of impurities. In this work, the deduced strain-induced rippling in a twisted bilayer graphene sample is consistent with the continuum model of elasticity. We also find that the moiré pattern induces undulations in the z direction that are approximately an order of magnitude smaller than the strain-induced rippling. A single substitutional impurity, identified as nitrogen, is detected. The present reconstructive approach can, therefore, distinguish between moiré and strain-induced effects and allows for the full reconstruction of 3D positions and atomic identities.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Computation of the Transmitted and Polarized Scattered Fluxes by the Exoplanet HD 189733b in X-Rays

Thousands of exoplanets have been detected, but only one exoplanetary transit was potentially observed in X-rays from HD 189733A. What makes the detection of exoplanets so difficult in this band? To answer this question, we run Monte-Carlo radiative transfer simulations to estimate the amount of X-ray flux reprocessed by HD 189733b. Despite its extended evaporating atmosphere, we find that the X-ray absorption radius of HD 189733b at 0.7 keV, which is the mean energy of the photons detected in the 0.25–2 keV energy band by XMM-Newton , is ∼1.01 times the planetary radius for an atmosphere of atomic hydrogen and helium (including ions), and produces a maximum depth of ∼2.1% at ∼±46 minutes from the center of the planetary transit on the geometrically thick and optically thin corona. We compute numerically in the 0.25–2 keV energy band that this maximum depth is only of ∼1.6% at ∼±47 minutes from the transit center, and not very sensitive to the metal abundance, assuming that adding metals in the atmosphere would not dramatically change the density–temperature profile. Regarding a direct detection of HD 189733b in X-rays, we find that the amount of flux reprocessed by the exoplanetary atmosphere varies with the orbital phase, spanning between three and five orders of magnitude fainter than the flux of the primary star. Additionally, the degree of linear polarization emerging from HD 189733b is <0.003%, with maximums detected near planetary greatest elongations. This implies that both the modulation of the X-ray flux with the orbital phase and the scatter-induced continuum polarization cannot be observed with current X-ray facilities.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Novel electronic nematicity in heavily hole-doped iron pnictide superconductors

Significance Strongly correlated electron systems often exhibit exotic states of matter, and perhaps the most surprising is the electronic nematicity with broken rotational symmetry. In such nematic states, the nematic director usually points to certain directions of the underlying crystal, and, thus, these states have been classified as Ising-type. Here, we find in a heavily hole-doped iron-pnictide system that the director is rotated by 45° from the Fe–Fe direction. Moreover, there is a doping range that shows a signature of a class of electronic quantum liquid-crystalline state of XY type, where the nematic director can point anywhere in the Fe planes. These findings reveal another type of quantum liquid crystals, which are expected to host several unique quantum many-body phenomena.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Loss for photoemission versus gain for Auger: Direct experimental evidence of crystal-field splitting and charge transfer in photoelectron spectroscopy

Here, we find a 5 eV satellite in the Ti1s photoelectron spectrum of the transition-metal oxide SrTiO 3 . This satellite appears in addition to the well-studied 13 eV structure that is typically associated with the Ti2p core line. We give direct experimental evidence that the presence of two satellites is due to the crystal-field splitting of the metal 3d orbitals. They originate from ligand 2pt 2 g → metal3dt 2 g and ligand 2pe g → metal 3de g monopole charge-transfer excitations within the sudden approximation of quantum mechanics. This assignment is made by the energetics of the resonant and high-energy threshold behaviors of the TiK–L 2 L 3 Auger decay that follows Ti1s photoionization.

36 MATERIALS SCIENCE↗
DOE OSTI2014

A theoretical analysis of the optical absorption properties in one-dimensional InAs/GaAs quantum dot superlattices

We present theoretical investigations of miniband structures and optical properties of InAs/GaAs one-dimensional quantum dot superlattices (1D-QDSLs). The calculation is based on the multi-band k·p theory, including the conduction and valence band mixing effects, the strain effect, and the piezoelectric effect; all three effects have periodic boundary conditions. We find that both the electronic and optical properties of the 1D-QDSLs show unique states which are different from those of well known single quantum dots (QDs) or quantum wires. We predict that the optical absorption spectra of the 1D-QDSLs strongly depend on the inter-dot spacing because of the inter-dot carrier coupling and changing strain states, which strongly influence the conduction and valence band potentials. The inter-miniband transitions form the absorption bands. Those absorption bands can be tuned from almost continuous (closely stacked QD case) to spike-like shape (almost isolated QD case) by changing the inter-dot spacing. The polarization of the lowest absorption peak for the 1D-QDSLs changes from being parallel to the stacking direction to being perpendicular to the stacking direction as the inter-dot spacing increases. In the case of closely stacked QDs, in-plane anisotropy, especially [110] and [11{sup ¯}0] directions also depend on the inter-dot spacing. Our findings and predictions will provide an additional degree of freedom for the design of QD-based optoelectronic devices.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

Type-II 2HDM under the precision measurements at the Z-pole and a Higgs factory

Future precision measurements of the Standard Model (SM) parameters at the proposed Z-factories and Higgs factories may have significant impacts on new physics beyond the Standard Model in the electroweak sector. We illustrate this by focusing on the Type-II two Higgs doublet model (Type-II 2HDM). The contributions from the heavy Higgs bosons at the tree-level and at the one-loop level are included in a full model parameter space. We perform a multiple variable global fit and study the extent to which the parameters of non-alignment and non-degenerate masses can be probed by the precision measurements. We find that the allowed parameter ranges are tightly constrained by the future Higgs precision measurements, especially for small and large values of tan β. Indirect limits on the masses of heavy Higgs can be obtained, which can be complementary to the direct searches of the heavy Higgs bosons at hadron colliders. We also find that the expected accuracies at the Z-pole and at a Higgs factory are quite complementary in constraining mass splittings of heavy Higgs bosons. The typical results are | cos(β - α)| < 0.008, |Δm Φ | < 200 GeV, and tan β ~ 0.2 - 5. The reaches from CEPC, FCC-ee and ILC are also compared, for both Higgs and Z-pole precision measurements.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Electron heating during magnetic reconnection: A simulation scaling study

Electron bulk heating during magnetic reconnection with symmetric inflow conditions is examined using kinetic particle-in-cell simulations. Inflowing plasma parameters are varied over a wide range of conditions, and the increase in electron temperature is measured in the exhaust well downstream of the x-line. The degree of electron heating is well correlated with the inflowing Alfvén speed c{sub Ar} based on the reconnecting magnetic field through the relation ΔT{sub e}=0.033 m{sub i} c{sub Ar}{sup 2}, where ΔT{sub e} is the increase in electron temperature. For the range of simulations performed, the heating shows almost no correlation with inflow total temperature T{sub tot}=T{sub i}+T{sub e} or plasma β. An out-of-plane (guide) magnetic field of similar magnitude to the reconnecting field does not affect the total heating, but it does quench perpendicular heating, with almost all heating being in the parallel direction. These results are qualitatively consistent with a recent statistical survey of electron heating in the dayside magnetopause (Phan et al., Geophys. Res. Lett. 40, 4475, 2013), which also found that ΔT{sub e} was proportional to the inflowing Alfvén speed. The net electron heating varies very little with distance downstream of the x-line. The simulations show at most a very weak dependence of electron heating on the ion to electron mass ratio. In the antiparallel reconnection case, the largely parallel heating is eventually isotropized downstream due a scattering mechanism, such as stochastic particle motion or instabilities. The simulation size is large enough to be directly relevant to reconnection in the Earth's magnetosphere, and the present findings may prove to be universal in nature with applications to the solar wind, the solar corona, and other astrophysical plasmas. The study highlights key properties that must be satisfied by an electron heating mechanism: (1) preferential heating in the parallel direction; (2) heating proportional to m{sub i} c{sub Ar}{sup 2}; (3) at most a weak dependence on electron mass; and (4) an exhaust electron temperature that varies little with distance from the x-line.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRS2010

Exploiting Expertise and Knowledge Sharing Online for the Benefit of NASA's GN&C Community of Practice

In 2004, NASA faced major knowledge sharing challenges due to geographically isolated field centers that inhibited engineers from sharing their experiences, expertise, ideas, and lessons learned. The necessity to collaborate on complex development projects and the reality of constrained project resources together drove the need for ensuring that personnel at all NASA centers had comparable skill sets and that engineers could find resources in a timely fashion. Mission failures and new directions for the Agency also demanded better collaborative tools for NASA's engineering workforce. In response to these needs, the online NASA Engineering Network (NEN) was formed by the NASA Office of the Chief Engineer to provide a multi-faceted system for overcoming geographic and cultural barriers. NEN integrates communities of practice with a cross-repository search and the Lessons Learned Information System. This paper describes the features of the GN&C engineering discipline CoP site which went live on NEN in May of 2008 as an online means of gathering input and guidance from practitioners. It allows GN&C discipline expertise captured at one field center to be shared in a collaborative way with the larger discipline CoP spread across the entire Agency. The site enables GN&C engineers to find the information they need quickly, to find solutions to questions from experienced engineers, and to connect with other practitioners regardless of geographic location, thus increasing the probability of project success.

control↗
DOE OSTI2023

Directing polymorph specific calcium carbonate formation with de novo protein templates

Biomolecules modulate inorganic crystallization to generate hierarchically structured biominerals, but the atomic structure of the organic-inorganic interfaces that regulate mineralization remain largely unknown. We hypothesized that heterogeneous nucleation of calcium carbonate could be achieved by a structured flat molecular template that pre-organizes calcium ions on its surface. To test this hypothesis, we design helical repeat proteins (DHRs) displaying regularly spaced carboxylate arrays on their surfaces and find that both protein monomers and protein-C a2+ supramolecular assemblies directly nucleate nano-calcite with non-natural {110} or {202} faces while vaterite, which forms first in the absence of the proteins, is bypassed. These protein-stabilized nanocrystals then assemble by oriented attachment into calcite mesocrystals. We find further that nanocrystal size and polymorph can be tuned by varying the length and surface chemistry of the designed protein templates. Thus, bio-mineralization can be programmed using de novo protein design, providing a route to next-generation hybrid materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Large scale anisotropic bias from primordial non-Gaussianity

In this work we study the large scale structure bias in models of anisotropic inflation. We use the Peak Background Splitting method in Excursion Set Theory to find the scale-dependent bias. We show that the amplitude of the bias is modified by a direction-dependent factor. In the specific anisotropic inflation model which we study, the scale-dependent bias vanishes at leading order when the long wavelength mode in squeezed limit is aligned with the anisotropic direction in the sky. We also extend the scale-dependent bias formulation to the general situations with primordial anisotropy. We find some selection rules indicating that some specific parts of a generic anisotropic bispectrum is picked up by the bias parameter. We argue that the anisotropic bias is mainly sourced by the angle between the anisotropic direction and the long wavelength mode in the squeezed limit.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2020

Temporal and spatial variability in surface roughness and accumulation rate around 88° S from repeat airborne geophysical surveys

We use repeat high-resolution airborne geophysical data consisting of laser altimetry, snow, and Ku-band radar and optical imagery acquired in 2014, 2016, and 2017 to analyze the spatial and temporal variability in surface roughness, slope, wind deposition, and snow accumulation at 88° S, an elevation bias validation site for ICESat-2 and potential validation site for CryoSat-2. We find significant small-scale variability (<10 km) in snow accumulation based on the snow radar subsurface stratigraphy, indicating areas of strong wind redistribution are prevalent at 88° S. In general, highs in snow accumulation rate correspond with topographic lows, resulting in a negative correlation coefficient of r(exp 2)=−0.32 between accumulation rate and MSWD (mean slope in the mean wind direction). This relationship is strongest in areas where the dominant wind direction is parallel to the survey profile, which is expected as the geophysical surveys only capture a two-dimensional cross section of snow redistribution. Variability in snow accumulation appears to correlate with variability in MSWD. The correlation coefficient between the standard deviations of accumulation rate and MSWD is r(exp 2)=0.48, indicating a stronger link between the standard deviations than the actual parameters. Our analysis shows that there is no simple relationship between surface slope, wind direction, and snow accumulation rates for the overall survey area. We find high variability in surface roughness derived from laser altimetry measurements on length scales smaller than 10 km, sometimes with very distinct and sharp transitions. Some areas also show significant temporal variability over the course of the 3 survey years. Ultimately, there is no statistically significant slope-independent relationship between surface roughness and accumulation rates within our survey area. The observed correspondence between the small-scale temporal and spatial variability in surface roughness and backscatter, as evidenced by Ku-band radar signal strength retrievals, will make it difficult to develop elevation bias corrections for radar altimeter retrieval algorithms.

Michael Studinger↗
DOE OSTI2013

THE ABSOLUTE MAGNITUDE OF RRc VARIABLES FROM STATISTICAL PARALLAX

We present the first definitive measurement of the absolute magnitude of RR Lyrae c-type variable stars (RRc) determined purely from statistical parallax. We use a sample of 242 RRc variables selected from the All Sky Automated Survey for which high-quality light curves, photometry, and proper motions are available. We obtain high-resolution echelle spectra for these objects to determine radial velocities and abundances as part of the Carnegie RR Lyrae Survey. We find that M{sub V,RRc} = 0.59 ± 0.10 at a mean metallicity of [Fe/H] = –1.59. This is to be compared with previous estimates for RRab stars (M{sub V,RRab} = 0.76 ± 0.12) and the only direct measurement of an RRc absolute magnitude (RZ Cephei, M{sub V,RRc} = 0.27 ± 0.17). We find the bulk velocity of the halo relative to the Sun to be (W{sub π}, W{sub θ}, W{sub z} ) = (12.0, –209.9, 3.0) km s{sup –1} in the radial, rotational, and vertical directions with dispersions (σ{sub W{sub π}},σ{sub W{sub θ}},σ{sub W{sub z}}) = (150.4, 106.1, 96.0) km s{sup -1}. For the disk, we find (W{sub π}, W{sub θ}, W{sub z} ) = (13.0, –42.0, –27.3) km s{sup –1} relative to the Sun with dispersions (σ{sub W{sub π}},σ{sub W{sub θ}},σ{sub W{sub z}}) = (67.7,59.2,54.9) km s{sup -1}. Finally, as a byproduct of our statistical framework, we are able to demonstrate that UCAC2 proper-motion errors are significantly overestimated as verified by UCAC4.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Type-I 2HDM under the Higgs and electroweak precision measurements

We explore the extent to which future precision measurements of the Standard Model (SM) observables at the proposed Z -factories and Higgs factories may have impacts on new physics beyond the Standard Model, as illustrated by studying the Type-I Two-Higgs-doublet model (Type-I 2HDM). We include the contributions from the heavy Higgs bosons at the tree-level and at the one-loop level in a full model-parameter space. While only small tan β region is strongly constrained at tree level, the large tan β region gets constrained at loop level due to tan β enhanced tri-Higgs couplings. We perform a multiple variable χ 2 fit with non-alignment and non-degenerate masses. We find that the allowed parameter ranges could be tightly constrained by the future Higgs precision measurements, especially for small and large values of tan β . Indirect limits on the masses of heavy Higgs bosons can be obtained, which can be complementary to the direct searches of the heavy Higgs bosons at hadron colliders. We also find that the expected accuracies at the Z -pole and at a Higgs factory are quite complementary in constraining mass splittings of heavy Higgs bosons. The typical results are | cos( β - α ) | < 0 . 05 , | Δ m Φ | < 200 GeV, and tan β ≳ 0 . 3. The reaches from CEPC, Fcc-ee and ILC are also compared, for both Higgs and Z -pole precision measurements. Comparing to the Type-II 2HDM, the 95% C.L. allowed range of cos( β - α ) is larger, especially for large values of tan β .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2022

Quashing a suspected selection bias in galaxy samples having dynamically measured supermassive black holes

Local early-type galaxies (ETGs) with directly measured black hole masses, M bh , have been reported to represent a biased sample relative to the ETG population at large. Such galaxies with Spitzer Space Telescope imaging have been purported to possess velocity dispersions, σ, at least ∼0.1 dex larger for a given galaxy stellar mass, M * , gal , than is typically observed among thousands of ETGs imaged by the Sloan Digital Sky Survey (SDSS). This apparent offset led Shankar et al. to reduce the normalisation of the observed M bh ∝ σ 5 relation by at least ∼0.5 dex to give their ‘intrinsic relations’, including σ-based modifications to the observed M bh –M * , gal relation. These modifications were based on the untested assumption that the stellar masses had been derived consistently between the two samples. Here, we provide the necessary check using galaxies common to the Spitzer Survey of Stellar Structure in Galaxies (S 4 G) and the SDSS. We find that the stellar masses of galaxies with and without directly measured black hole masses had appeared offset from each other due to the use of inconsistent stellar mass-to-light ratios, Υ * , for the optical and infrared data. We briefly discuss the ‘intrinsic relations’ and why some of these will at times appear to have had partial success when applied to data based on similarly inconsistent values ofΥ * . Finally, we reiterate the importance of the υ (lower-case Υ) term, which we previously introduced into the M bh –M * relations to help avoid Υ * -related mismatches.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2019

Smectic and nematic phase modulations and transitions under electron beam in Tb 2 Cu 0.83 Pd 0.17 O 4

Understanding the structural origin of the functionality in cuprates has attracted tremendous attention over several decades. In particular, probing distortions in the Cu- O bonding is of great importance for exploring the coupling between the charge and the lattice, a key mechanism for superconductivity and other functionality in correlated materials. Here we study a superlattice modulation in the Tb 2 Cu 0.83 Pd 0.17 O 4 “214” material, which possesses no superconductivity itself but has the parent structure of the R 2 CuO 4 (R = a rare earth element) superconducting cuprate group. Using transmission electron microscopy (TEM), we find that this superlattice modulation is formed by Cu ion displacements in a direction perpendicular to the Cu-O planes. The superlattice modulation undergoes a reversible electronic smectic-nematic phase transition under electron-beam illumination. With the help of in situ TEM results, our findings imply that the superlattice modulation in this material arises from spatially modulated charge ordering at the Cu sites.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Direct determination of momentum-resolved electron transfer in the photoexcited van der Waals heterobilayer WS 2 /MoS 2

Photoinduced charge separation in transition-metal dichalcogenide heterobilayers is being explored for moiré excitons, spin-valley polarization, and quantum phases of excitons/electrons. While different momentum points can be critically involved in charge separation dynamics, little is known directly from experiments. Here we determine momentum-resolved electron dynamics in the WS 2 /MoS 2 heterobilayer using time- and angle-resolved photoemission spectroscopy. Upon photoexcitation in the $\textit{K}$ valleys, we detect electrons in $\textit{M/2}$, $\textit{M}$, and $\textit{Q}$ valleys/points on timescales as short as ~70 fs, followed by dynamic equilibration in K and Q valleys in ~400 fs. Overall, these findings reveal the essential role of phonon scattering, the coexistence of direct and indirect interlayer excitons, and constraints on spin-valley polarization.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2021

Evaluation of the Rapid Refresh Numerical Weather Prediction Model over Arctic Alaska

Abstract Despite a need for accurate weather forecasts for societal and economic interests in the U.S. Arctic, thorough evaluations of operational numerical weather prediction in the region have been limited. In particular, the Rapid Refresh Model (RAP), which plays a key role in short-term forecasting and decision-making, has seen very limited assessment in northern Alaska, with most evaluation efforts focused on lower latitudes. In the present study, we verify forecasts from version 4 of the RAP against radiosonde, surface meteorological, and radiative flux observations from two Arctic sites on the northern Alaskan coastline, with a focus on boundary layer thermodynamic and dynamic biases, model representation of surface inversions, and cloud characteristics. We find persistent seasonal thermodynamic biases near the surface that vary with wind direction, and may be related to the RAP’s handling of sea ice and ocean interactions. These biases seem to have diminished in the latest version of the RAP (version 5), which includes refined handling of sea ice, among other improvements. In addition, we find that despite capturing boundary layer temperature profiles well overall, the RAP struggles to consistently represent strong, shallow surface inversions. Further, while the RAP seems to forecast the presence of clouds accurately in most cases, there are errors in the simulated characteristics of these clouds, which we hypothesize may be related to the RAP’s treatment of mixed-phase clouds.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Nonradiative Plasmon Decay and Hot Carrier Dynamics: Effects of Phonons, Surfaces, and Geometry

The behavior of metals across a broad frequency range from microwave to ultraviolet frequencies is of interest in plasmonics, nanophotonics, and metamaterials. Depending on the frequency, losses of collective excitations in metals can be predominantly classical resistive effects or Landau damping. In this context, we present first-principles calculations that capture all of the significant microscopic mechanisms underlying surface plasmon decay and predict the initial excited carrier distributions so generated. Particularly, we include ab initio predictions of phonon-assisted optical excitations in metals, which are critical to bridging the frequency range between resistive losses at low frequencies and direct interband transitions at high frequencies. In the commonly used plasmonic materials, gold, silver, copper, and aluminum, we find that resistive losses compete with phonon-assisted carrier generation below the interband threshold, but hot carrier generation via direct transitions dominates above threshold. Furthermore, we predict energy-dependent lifetimes and mean free paths of hot carriers, accounting for electron–electron and electron–phonon scattering, to provide insight toward transport of plasmonically generated carriers at the nanoscale.

36 MATERIALS SCIENCE↗