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All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Tunable Collective Excitations in Epitaxial Perovskite Nickelates

The formation of plasmons through the collective excitation of charge density has generated intense discussions, offering insights to fundamental sciences and potential applications. While the underlying physical principles have been well-established, the effects of multibody interactions and orbital hybridization on plasmonic dynamics remain understudied. Here, in this work, we present the observation of conventional metallic and correlated plasmons in epitaxial La 1-x Sr x NiO 3 (LSNO) films with varying Sr doping concentrations (x = 0, 0.125, 0.25), unveiling their intriguing evolution. Unlike samples at other doping concentrations, the x = 0.125 intermediate doping sample does not exhibit the correlated plasmons despite showing high optical conductivity. Through experimental investigation using spectroscopic ellipsometry and X-ray absorption spectroscopy, that is further supported by theoretical calculations, the O2p-Ni3d orbital hybridization for x = 0.125 is found to be significantly enhanced, alongside a considerable weakening of its effective interaction comprising long-range Coulomb and variable interaction, U*. These factors account for the absence of correlated plasmons and the high optical conductivity observed in LSNO(0.125). Our findings highlight the significant impact of orbital hybridization on the electronic structures and the formation of quasiparticles in strongly correlated systems, opening new paths for plasmonic-based engineering research.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Diversity and population structure of Marine Group A bacteria in the Northeast subarctic Pacific Ocean

Marine Group A (MGA) is a candidate phylum of Bacteria that is ubiquitous and abundant in the ocean. Despite being prevalent, the structural and functional properties of MGA populations remain poorly constrained. Here, we quantified MGA diversity and population structure in relation to nutrients and O2 concentrations in the oxygen minimum zone (OMZ) of the Northeast subarctic Pacific Ocean using a combination of catalyzed reporter deposition fluorescence in situ hybridization (CARD-FISH) and 16S small subunit ribosomal RNA (16S rRNA) gene sequencing (clone libraries and 454-pyrotags). Estimates of MGA abundance as a proportion of total bacteria were similar across all three methods although estimates based on CARD-FISH were consistently lower in the OMZ (5.6%±1.9%) than estimates based on 16S rRNA gene clone libraries (11.0%±3.9%) or pyrotags (9.9%±1.8%). Five previously defined MGA subgroups were recovered in 16S rRNA gene clone libraries and five novel subgroups were defined (HF770D10, P262000D03, P41300E03, P262000N21 and A714018). Rarefaction analysis of pyrotag data indicated that the ultimate richness of MGA was very nearly sampled. Spearman’s rank analysis of MGA abundances by CARD-FISH and O2 concentrations resulted in significant correlation. Analyzed in more detail by 16S rRNA pyrotag sequencing, MGA operational taxonomic units affiliated with subgroups Arctic95A-2 and A714018 comprised 0.3–2.4% of total bacterial sequences and displayed strong correlations with decreasing O2 concentration. This study is the first comprehensive description of MGA diversity using complementary techniques. These results provide a phylogenetic framework for interpreting future studies on ecotype selection among MGA subgroups, and suggest a potentially important role for MGA in the ecology and biogeochemistry of OMZs.

Marine Group A↗
DOE OSTI2024

The dynamic adsorption affinity of ligands is a surrogate for the passivation of surface defects

Abstract Surface defects in semiconducting materials, though they have been widely studied, remain a prominent source of loss in optoelectronic devices; here we sought a new angle of approach, looking into the dynamic roles played by surface defects under atmospheric stressors and their chemical passivants in the lifetime of optoelectronic materials. We find that surface defects possess properties distinct from those of bulk defects. ab initio molecular dynamics simulations reveal a previously overlooked reversible degradation mechanism mediated by hydrogen vacancies. We find that dynamic surface adsorption affinity (DAA) relative to surface treatment ligands is a surrogate for passivation efficacy, a more strongly-correlated feature than is the static binding strength emphasized in prior reports. This guides us to design targeted passivator ligands with high molecular polarity: for example, 4-aminobutylphosphonic acid exhibits strong DAA and provides defect passivation applicable to a range of perovskite compositions, including suppressed hydrogen vacancy formation, enhanced photovoltaic performances and operational stability in perovskite solar cells.

Science & Technology - Other Topics↗
DOE OSTI2015

Correlation between ground state and orbital anisotropy in heavy fermion materials

The interplay of structural, orbital, charge, and spin degrees of freedom is at the heart of many emergent phenomena, including superconductivity. We find that unraveling the underlying forces of such novel phases is a great challenge because it not only requires understanding each of these degrees of freedom, it also involves accounting for the interplay between them. Cerium-based heavy fermion compounds are an ideal playground for investigating these interdependencies, and we present evidence for a correlation between orbital anisotropy and the ground states in a representative family of materials. We have measured the 4f crystal-electric field ground-state wave functions of the strongly correlated materials CeRh 1₋x Ir x In 5 with great accuracy using linear polarization-dependent soft X-ray absorption spectroscopy. These measurements show that these wave functions correlate with the ground-state properties of the substitution series, which covers long-range antiferromagnetic order, unconventional superconductivity, and coexistence of these two states.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2015

SU-C-BRD-04: Comparison of Shallow Fluence to Deep Point Dose Measurements for Spine VMAT SBRT Patient-Specific QA

Purpose: To investigate the sensitivity of traditional gamma-index-based fluence measurements for patient-specific measurements in VMAT delivered spine SBRT. Methods: The ten most recent cases for spine SBRT were selected. All cases were planned with Eclipse RapidArc for a TrueBeam STx. The delivery was verified using a point dose measurement with a Pinpoint 3D micro-ion chamber in a Standard Imaging Stereotactic Dose Verification Phantom. Two points were selected for each case, one within the target in a low dose-gradient region and one in the spinal cord. Measurements were localized using on-board CBCT. Cumulative and separate arc measurements were acquired with the ArcCheck and assessed using the SNC patient software with a 3%/3mm and 2%/2mm gamma analysis with global normalization and a 10% dose threshold. Correlations between data were determined using the Pearson Product-Moment Correlation. Results: For our cohort of patients, the measured doses were higher than calculated ranging from 2.2%–9.7% for the target and 1.0%–8.2% for the spinal cord. There was strong correlation between 3%/3mm and 2%/2mm passing rates (r=0.91). Moderate correlation was found between target and cord dose with a weak fit (r=0.67, R-Square=0.45). The cumulative ArcCheck measurements showed poor correlation with the measured point doses for both the target and cord (r=0.20, r=0.35). If the arcs are assessed separately with an acceptance criteria applied to the minimum passing rate between all arcs, a moderate negative correlation was found for the target and cord (r=−0.48, r= −0.71). The case with the highest dose difference (9.7%) received a passing rate of 97.2% for the cumulative arcs and 87.8% for the minimum with separate arcs. Conclusion: Our data suggest that traditional passing criteria using ArcCheck with cumulative measurements do not correlate well with dose errors. Separate arc analysis shows better correlation but may still miss large dose errors. Point dose verifications are recommended.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Droplet collection efficiencies inferred from satellite retrievals constrain effective radiative forcing of aerosol–cloud interactions

Abstract. Process-oriented observational constraints for the anthropogenic effective radiative forcing due to aerosol–cloud interactions (ERFaci) are highly desirable because the uncertainty associated with ERFaci poses a significant challenge to climate prediction. The contoured frequency by optical depth diagram (CFODD) analysis supports the evaluation of model representation of cloud liquid-to-rain conversion processes because the slope of a CFODD, generated from joint MODerate Resolution Imaging Spectroradiometer (MODIS)-CloudSat cloud retrievals, provides an estimate of cloud droplet collection efficiency in single-layer warm liquid clouds. Here, we present an updated CFODD analysis as an observational constraint on the ERFaci due to warm rain processes and apply it to the U.S. Department of Energy's Energy Exascale Earth System Model version 2 (E3SMv2). A series of sensitivity experiments shows that E3SMv2 droplet collection efficiencies and ERFaci are highly sensitive to autoconversion, i.e., the rate of mass transfer from cloud liquid to rain, yielding a strong correlation between the CFODD slope and the shortwave component of ERFaci (ERFaciSW; Pearson's R=-0.91). E3SMv2's CFODD slope (0.20 ± 0.04) is in agreement with observations (0.20 ± 0.03). The strong sensitivity of ERFaciSW to the CFODD slope provides a useful constraint on highly uncertain warm rain processes, whereby ERFaciSW, constrained by MODIS-CloudSat, is estimated by calculating the intercept of the linear association between the ERFaciSW and the CFODD slopes, using the MODIS-CloudSat CFODD slope as a reference.

Beall, Charlotte M. (ORCID:0000000311370835)↗
NASA NTRS1974

Correlation analysis of X-ray emission from Cygnus X-1

Normalized autocorrelation and cross-correlation coefficients have been calculated for the X-ray emission of Cygnus X-1 in two energy bins, 2.1-5.1 keV and 5.1-12 keV. The analysis shows a strong correlation between the pulsations in the two energy bins, with the low-energy pulsations lagging behind the high-energy ones, or alternatively a shorter duration of the pulse trains in the high-energy bin. The power spectral density derived from the autocorrelation functions indicates a larger contribution of the high-frequency components for the higher-energy X-rays.

Brinkman, A. C.↗
DOE OSTI2023

Transition to the Haldane phase driven by electron-electron correlations

One of the most famous quantum systems with topological properties, the spin S = 1 antiferromagnetic Heisenberg chain, is well-known to display exotic S = 1/2 edge states. However, this spin model has not been analyzed from the more general perspective of strongly correlated systems varying the electron electron interaction strength. Here, we report the investigation of the emergence of the Haldane edge in a system of interacting electrons – the two orbital Hubbard model—with increasing repulsion strength U and Hund interaction J H . We show that interactions not only form the magnetic moments but also form a topologically nontrivial fermionic many-body ground-state with zero-energy edge states. Specifically, upon increasing the strength of the Hubbard repulsion and Hund exchange, we identify a sharp transition point separating topologically trivial and nontrivial ground-states. Surprisingly, such a behaviour appears already at rather small values of the interaction, in a regime where the magnetic moments are barely developed.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Transport Experiments on 2D Correlated Electron Physics in Semiconductors

This research project was designed to investigate experimentally the transport properties of the 2D electrons in Si and GaAs, two prototype semiconductors, in several new physical regimes that were previously inaccessible to experiments. The research focused on the strongly correlated electron physics in the dilute density limit, where the electron potential energy to kinetic energy ratio rs>>1, and on the fractional quantum Hall effect related physics in nuclear demagnetization refrigerator temperature range on samples with new levels of purity and controlled random disorder.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The order of three lowest-energy states of the six-electron harmonium at small force constant

The order of low-energy states of six-electron harmonium is uncertain in the case of strong correlation, which is not a desired situation for the model system being considered for future testing of approximate methods of quantum chemistry. The computational study of these states has been carried out at the frequency parameter ω = 0.01, using the variational method with the basis of symmetry-projected, explicitly correlated Gaussian (ECG) lobe functions. It has revealed that the six-electron harmonium at this confinement strength is an octahedral Wigner molecule, whose order of states is different than in the strong confinement regime and does not agree with the earlier predictions. The results obtained for ω = 0.5 and 10 are consistent with the findings based on the Hund’s rules for the s{sup 2}p{sup 4} electron configuration. Substantial part of the computations has been carried out on the graphical processing units and the efficiency of these devices in calculation of the integrals over ECG functions has been compared with traditional processors.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

On the correlation between the porous structure and the electrochemical response of powdered and monolithic carbon aerogels as electrodes for capacitive deionization

The combined effect of resorcinol/catalyst (100≤R/C≤800) and resorcinol/water (0.04≤R/W≤0.13) molar ratio on the textural and capacitive properties of carbon aerogels with potential application for capacitive deionization has been evaluated. Activated and pyrolyzed aerogels were synthesized by the sol-gel polymerization of resorcinol-formaldehyde mixtures and dried in supercritical conditions. Data show that high R/C and R/W molar ratios lead to materials with large pores in the mesopore range, whereas the surface area and micropore volumes remain somewhat the same. The activation of the aerogels increased the differences in the specific surface and micropore volumes due to the development of microporosity. This effect was more remarkable for the samples with low R/C whatever the R/W ratio, indicating that the carbon aerogel obtained using high amounts of catalyst are more prone to be activated. Regarding the electrochemical features of the aerogels, low capacitance values were measured in aerogels combining low R/W and high R/C and reciprocally low R/C and high R/W molar ratios, due to their higher resistance. Polarization resistances were found to be slightly higher for the pyrolyzed than for activated aerogels, and followed a decreasing trend with the mesoporosity, indicating the outstanding contribution of the mesoporous network to provide a good kinetic response. The desalting capacity of monolithic aerogels showed a simultaneous dependence with the surface area and the resistivity of the electrodes, pointing out the importance of performing electrochemical measurements in adequate cell configurations (i.e., desalting units) upon the intended application. - Graphical abstract: The textural properties of carbon aerogels are strongly influenced by the synthesis parameters precursor to catalyst (R/C) and water (R/C) ratios. The volumetric capacitance measured in a symmetric cell with monolithic electrodes of carbon aerogel strongly correlates with both surface area and electrical resistivity. - Highlights: • Influence of the synthesis conditions on the properties of carbon aerogels is reported. • Specific surface decreases in the activated samples when either R/C or R/W increase. • An enhanced decrease of the capacitance was observed when R/C and R/W increase. • Ohmic resistance of the electrodes that strongly depends on the R/W and R/C. • Electrosorption capacity is successfully correlated to surface area and resistivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Digital Laser Speckle Technologies in Measuring Blood Flow in Biotissues and the Stressed-Strained State of the Maxillodental System

A method has been developed for estimating the stressed-strained state in the ″orthodontic apparatus–dentin″ system with the use of laser-optical diagnostics based on speckle photography. We have determined the indices of the stressed-strained state in the ″orthodontic apparatus–dentin″ system depending on the composition and form of the orthodontic arch cross section. We have determined the optimum indices of the stressed-strained state of orthodontic arches in patients with periodontium diseases in combination with maxillodental anomalies and deformations, to which the following arches correspond: from copper–nickel–titanium (CuNiTi) alloy with circular (0.012″, 0.013″, 0.014″, 0.016″, 0.018″), and rectangular (0.014 × 0.025″, 0.016 × 0.025″) cross sections, from titanium–molybdenum alloy (TMA) with a rectangular cross section (0.016 × 0.025″), and from stainless steel (SS) with a circular (0.016″, 0.018″) cross section. Direct correlation has been established between indices of the stressed-strained state in the ″orthodontic apparatus–dentin″ system and the periodontium capillary pressure (r = 0.78, p < 0.05), as well as inverse strong correlation with the periodontium microcirculation intensity (r = –0.88, p < 0.05).

36 MATERIALS SCIENCE↗
DOE OSTI2012

MULTIWAVELENGTH VARIABILITY OF THE BLAZARS Mrk 421 AND 3C 454.3 IN THE HIGH STATE

We report the results of photometric observations of the blazars Mrk 421 and 3C 454.3 designed to search for intraday variability (IDV) and short-term variability (STV). Optical photometric observations were spread over 18 nights for Mrk 421 and 7 nights for 3C 454.3 during our observing run in 2009-2010 at the 1.04 m telescope at Aryabhatta Research Institute of Observational Sciences, India. Genuine IDV is found for the source 3C 454.3 but not for Mrk 421. Genuine STV is found for both sources. Mrk 421 was revealed by the Monitor of All-sky X-ray Image (MAXI) X-ray detector on the International Space Station to be in an exceptionally high flux state in 2010 January-February. We performed a correlation between the X-ray and optical bands to search for time delays and found a weak correlation with higher frequencies leading the lower frequencies by about 10 days. The blazar 3C 454.3 was found to be in a high flux state in 2009 November-December. We performed correlations in optical observations made at three telescopes, along with X-ray data from the MAXI camera and public release {gamma}-ray data from the Fermi space telescope. We found strong correlations between the {gamma}-ray and optical bands at a time lag of about four days, but the X-ray flux is not correlated with either. We briefly discuss the possible reasons for the time delays between these bands within the framework of existing models for X-ray and {gamma}-ray emission mechanisms.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2013

DIAGNOSING THE PROMINENCE-CAVITY CONNECTION

Prominences and cavities are ubiquitously observed together, but the physical link between these disparate structures has not been established. We address this issue by using dynamic emission in the extreme ultraviolet to probe the connections of these structures. The SDO/AIA observations show that the cavity exhibits excessive emission variability compared to the surrounding quiet-Sun streamer, particularly in the 171 A bandpass. We find that this dynamic emission takes the form of coherent loop-like brightening structures which emanate from the prominence into the central cavity. The geometry of these structures, dubbed prominence horns, generally mimics the curvature of the cavity boundary. We use a space-time statistical analysis of two cavities in multiple AIA bandpasses to constrain the energetic properties of 45 horns. In general, we find there is a positive correlation between the light curves of the horns in the 171 A and 193 A bandpasses; however, the 193 A emission is a factor of five weaker. There is also a strong correlation between structural changes to the prominence as viewed in the He II 304 A bandpass and the enhanced 171 A emission. In that bandpass, the prominence appears to extend several megameters along the 171 A horn where we observe co-spatial, co-temporal 304 A and 171 A emission dynamics. We present these observations as evidence of the magnetic and energetic connection between the prominence and the cavity. Further modeling work is necessary to explain the physical source and consequences of these events, particularly in the context of the traditional paradigm: the cavity is underdense because it supplies mass to the overdense prominence.

79 ASTRONOMY AND ASTROPHYSICS↗
NASA NTRS2011

C/NOFS Satellite Electric Field and Plasma Density Observations of Plasma Instabilities Below the Equatorial F-Peak -- Evidence for Approximately 500 km-Scale Spread-F "Precursor" Waves Driven by Zonal Shear Flow and km-Scale, Narrow-Banded Irregularities

As solar activity has increased, the ionosphere F-peak has been elevated on numerous occasions above the C/NOFS satellite perigee of 400km. In particular, during the month of April, 2011, the satellite consistently journeyed below the F-peak whenever the orbit was in the region of the South Atlantic anomaly after sunset. During these passes, data from the electric field and plasma density probes on the satellite have revealed two types of instabilities which had not previously been observed in the C/NOFS data set (to our knowledge): The first is evidence for 400-500km-scale bottomside "undulations" that appear in the density and electric field data. In one case, these large scale waves are associated with a strong shear in the zonal E x B flow, as evidenced by variations in the meridional (outward) electric fields observed above and below the F-peak. These undulations are devoid of smaller scale structures in the early evening, yet appear at later local times along the same orbit associated with fully-developed spread-F with smaller scale structures. This suggests that they may be precursor waves for spread-F, driven by a collisional shear instability, following ideas advanced previously by researchers using data from the Jicamarca radar. A second new result (for C/NOFS) is the appearance of km-scale irregularities that are a common feature in the electric field and plasma density data that also appear when the satellite is below the F -peak at night. The vector electric field instrument on C/NOFS clearly shows that the electric field component of these waves is strongest in the zonal direction. These waves are strongly correlated with simultaneous observations of plasma density oscillations and appear both with, and without, evidence of larger-scale spread-F depletions. These km-scale, quasi-coherent waves strongly resemble the bottomside, sinusoidal irregularities reported in the Atmosphere Explorer satellite data set by Valladares et al. [JGR, 88, 8025, 1983]. We interpret these new observations in terms of fundamental plasma instabilities associated with the unstable, nighttime equatorial ionosphere.

Pfaff, R.↗
NASA NTRS2012

Electric Field and Plasma Density Observations of Irregularities and Plasma Instabilities in the Low Latitude Ionosphere Gathered by the C/NOFS Satellite

The Vector Electric Field Investigation (VEFI) on the C/NOFS equatorial satellite provides a unique data set which includes detailed measurements of irregularities associated with the equatorial ionosphere and in particular with spread-F depletions. We present vector AC electric field observations gathered on C/NOFS that address a variety of key questions regarding how plasma irregularities, from meter to kilometer scales, are created and evolve. The talk focuses on occasions where the ionosphere F-peak has been elevated above the C/NOFS satellite perigee of 400 km as solar activity has increased. In particular, during the equinox periods of 2011, the satellite consistently journeyed below the F-peak whenever the orbit was in the region of the South Atlantic anomaly after sunset. During these passes, data from the electric field and plasma density probes on the satellite have revealed two types of instabilities which had not previously been observed in the C/NOFS data set: The first is evidence for 400-500km-scale bottomside "undulations" that appear in the density and electric field data. In one case, these large scale waves are associated with a strong shear in the zonal E x B flow, as evidenced by variations in the meridional (outward) electric fields observed above and below the F-peak. These undulations are devoid of smaller scale structures in the early evening, yet appear at later local times along the same orbit associated with fully-developed spread-F with smaller scale structures. This suggests that they may be precursor waves for spread-F, driven by a collisional shear instability, following ideas advanced previously by researchers using data from the Jicamarca radar. A second result is the appearance of km-scale irregularities that are a common feature in the electric field and plasma density data that also appear when the satellite is near or below the F-peak at night. The vector electric field instrument on C/NOFS clearly shows that the electric field component of these waves is strongest in the zonal direction. These waves are strongly correlated with simultaneous observations of plasma density oscillations and appear both with, and without, evidence of larger-scale spread-F depletions. These km-scale, quasi-coherent waves strongly resemble the bottomside, sinusoidal irregularities reported in the Atmosphere Explorer satellite data set by Valladares et al. and are believed to cause scintillations of VHF radiowaves. We interpret these new observations in terms of fundamental plasma instabilities associated with the unstable, nighttime equatorial ionosphere.

Pfaff, Robert F.↗
NASA NTRS1998

Correlation Between Radio-Millimeter and Gamma Ray Fluxes from Blazars

Using multifrequency databases, we have plotted radio (5 GHz, 22 GHz, and 37 GHz) and millimeter (90 GHz and 230 GHz) fluxes versus MeV and gamma-ray fluxes of the EGRET blazar sample. Strong correlations have been found between the emissions at the radio-millimeter wavelengths and they-rays. These correlations have been explained in the frame work of Synchrotron Self-Compton (SSC) processes between the radio-millimeter synchrotron emissions and the shock-accelerated electrons in the jets of blazars. Using this SSC model we are able to explain the GeV spectra of the EGRET blazars. The present model will also explain the physics of TeV flares in blazars and the time lag between the TeV and GeV photons from a blazar.

Ghosh, K. K.↗