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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 379 records · Page 21
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

High Resolution Polar Kerr Effect Studies of CsV 3 Sb 5 : Tests for Time-Reversal Symmetry Breaking below the Charge-Order Transition

We report high resolution polar Kerr effect measurements on CsV 3 Sb 5 single crystals in search for signatures of spontaneous time reversal symmetry breaking below the charge order transition at T * = 94 K. Utilizing two different versions of zero-area loop Sagnac interferometers operating at 1550 nm wavelength, each with the fundamental attribute that without a time reversal symmetry breaking sample at its path, the interferometer is perfectly reciprocal, we find no observable Kerr effect to within the noise floor limit of the apparatus at 30 nanoradians. Simultaneous coherent reflection ratio measurements confirm the sharpness of the charge order transition in the same optical volume as the Kerr measurements. At finite magnetic field we observe a sharp onset of a diamagnetic shift in the Kerr signal at T *, which persists down to the lowest temperature without change in trend. Since 1550 nm is an energy that was shown to capture all features of the optical properties of the material that interact with the charge order transition, we are led to conclude that it is highly unlikely that time reversal symmetry is broken in the charge ordered state in CsV 3 Sb 5 .

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Studies of laser stimulated photodetachment from nanoparticles for particle charge measurements

Determining nanoparticle charge is more challenging than that for microparticles due to change in the particle size during the synthesis substantial plasma property variations, and difficulties in visualizing individual particles, rendering conventional microparticle charge diagnostics ineffective in dusty plasma. In this work, we utilized laser-stimulated photodetachment (LSPD) to deduce the mean charge of nanoparticles. Nanoparticles were grown in an Ar/C 2 H 2 mixture using a capacitively coupled RF discharge and the LSPD induced changes in the electron current monitored by a cylindrical Langmuir probe. LSPD signals were obtained and analyzed across different dust growth phases. The prolonged decay of electron current pulses was attributed to the presence of residual negative ions, caused by the effective electrostatic trapping of these ions and the potential post—LSPD re-formation of new ones. The particle charge was estimated by combining the laser-stimulated photodetachment signal from the probe with the dust density obtained from laser-light extinction using the measured nanoparticle size distribution. For a nanoparticles size range of approximately 100–250 nm and mean diameter of $d$ p ∼154.37 nm, the effective mean charge was estimated to be $\langle$$Q$$\rangle$ d $≈$ 37 elementary charge units. The measured charge values are lower than those predicted by orbital motion limited theory, which may be attributed to significant electron depletion in the nanodusty plasma. LSPD results in Ar/C 2 H 2 nano-dusty plasma confirm the applicability of this method for estimating individual nanoparticle charges. However, it has also been demonstrated that electron detachment from residual background negative ions can influence the detachment current decay and must be carefully considered.

dust particle charge↗
DOE OSTI2021

Tunable competing magnetic anisotropies and spin reconfigurations in ferrimagnetic Fe 100– x Gd x alloy films

Here, we report a comprehensive study of the temperature evolution of in-plane (IP) and out-of-plane (OOP) effective magnetic anisotropies in compensated ferrimagnetic Fe 100– x Gd x alloy films by employing direct current magnetometry and radiofrequency (RF) transverse susceptibility (TS) measurements. We suggest that our Fe 100– x Gd x system is chemically inhomogeneous and phase segregates into Fe- and Gd-enriched regions. Our IP and OOP magnetometry results indicate that the system undergoes a temperature-driven transformation from an IP-spin-configuration-dominated state to an OOP-spin-configuration-dominated state below a certain temperature (spin reorientation temperature). A two-step reversal behavior emerges in the OOP $\textit{M(H)}$ loop near compensation, which we attribute to the sequential magnetization reversals of Fe- and Gd-enriched domains. Field-induced spin-flop transitions were also observed near the compensation. Our RF TS measurements indicate that the effective magnetic anisotropy for the OOP configuration dominates over that for the IP configuration below a certain spin reorientation temperature. Both IP and OOP anisotropy fields determined from our TS measurement exhibit a minimum around the compensation temperature, which has been explained in the framework of the Stoner-Wohlfarth model.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Photoluminescence Dynamics Defined by Exciton Trapping Potential of Coupled Defect States in DNA-Functionalized Carbon Nanotubes

Chemical reactions between semiconducting single-wall carbon nanotubes (SWCNTs) and single-stranded DNA (ssDNA) achieve spatially patterned covalent functionalization sites and create coupled fluorescent quantum defects on the nanotube surface, tailoring SWCNT photophysics for applications such as single-photon emitters in quantum information technologies. The evaluation of relaxation dynamics of photoluminescence (PL) from those coupled quantum defects is essential for understanding the nanotube electronic structure and beneficial to the design of quantum light emitters. Here, we measured the PL decay for ssDNA-functionalized SWCNTs as a function of the guanine content of the ssDNA oligo that dictates the red-shifting of their PL emission peaks relative to the band-edge exciton. We then correlate the observed dependence of PL decay dynamics on energy red-shifts to the exciton potential energy landscape, which is modeled using first-principles approaches based upon the morphology of ssDNA-altered SWCNTs obtained by atomic force microscopy (AFM) imaging. In this work, our simulations illustrate that the multiple guanine defects introduced within a single ssDNA strand strongly interact to create a deep exciton trapping well, acting as a single hybrid trap. The emission decay from the distinctive trapping potential landscape is found to be biexponential for ssDNA-modified SWCNTs. We attributed the fast time component of the biexponential PL decay to the redistribution of exciton population among the lowest energy bright states and a manifold of dark states emerging from the coupling of multiple guanine defects. The long lifetime component in the biexponential decay, on the other hand, is attributed to the redistribution of exciton population among different exciton trapping sites that arise from the binding of multiple ssDNA strands along the nanotube axis. AFM measurements indicate that those trapping sites are separated on average by ~8 nm along the nanotube axis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Evaluating Diurnal and Semi-Diurnal Cycle of Precipitation in CMIP6 Models Using Satellite- and Ground-Based Observations

We report the diurnal and semi-diurnal cycle of precipitation simulated from CMIP6 models during 1996-2005 are evaluated globally between 60°S and 60°N, as well as at ten selected locations representing three categories of diurnal cycle of precipitation: (1) afternoon precipitation over land, (2) early morning precipitation over ocean, and (3) nocturnal precipitation over land. Three satellite-based and two ground-based rainfall products are used to evaluate the climate models. Globally, the ensemble mean of CMIP6 models shows a diurnal phase of 3 to 4 hours earlier over land and 1 to 2 hours earlier over ocean, when compared with the latest satellite products. These biases are in line with what were found in previous versions of climate models but reduced compared to the CMIP5 ensemble mean. Analysis at the selected locations complimented with in-situ measurements further reinforces these results. Several CMIP6 models have shown a significant improvement in the diurnal cycle of precipitation compared to their CMIP5 counterparts, notably on delaying afternoon precipitation over land. This can be attributed to the use of more sophisticated convective parameterizations. Most models are still unable to capture the nocturnal peak associated with elevated convection and propagating mesoscale convective systems, with a few exceptions that allow convection to be initiated above the boundary layer to capture nocturnal elevated convection. We also quantify an encouraging consistency between the satellite- and ground-based precipitation measurements despite differing spatiotemporal resolutions and sampling periods, which provides confidence in using them to evaluate the diurnal and semi-diurnal cycle of precipitation in climate models.

58 GEOSCIENCES↗
DOE OSTI2020

Vacancy-driven variations in the phonon density of states of fast neutron irradiated nuclear graphite

Research examining radiation damage and its effects in graphite began in the 1940’s during the development of moderated nuclear reactors. Interest in this topic is expanding because of emerging applications associated with fullerenes and carbon nanostructures as well as its long-standing use as a fission moderator. In this work, we report the measurements of the full phonon density of states of irradiated nuclear graphite using inelastic neutron scattering experiments at room temperature. The samples were previously exposed to different levels of neutron doses and irradiation temperatures. The phonon density of states of perfect and defected graphite supercells including different configurations of vacancies and interstitials were calculated using first-principles direct method. Despite high neutron irradiation doses, the scattering measurements show that the induced damage is localized, and the layered structure is preserved. In conclusion, a comparison of the measured phonon densities of states of irradiated samples with those calculated of defected supercells indicates that the main changes observed are mainly attributed to formation of vacancies.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Experiments with neutron induced neutron emission from U-235, Pu-239, and graphite

A neutron induced neutron emission experiment was conducted as the Los Alamos Neutron Science Center (LANSCE) facility at Los Alamos National Laboratory (LANL). In this experiment, a sample was placed in a well collimated neutron beam and was surrounded by an array of 28 fast neutron detectors (EJ-309). The experiment was performed with a neutron flight path of 21.5 m from the source to the sample, and 1 m from the sample to the detectors. The neutron emission from the sample was measured as a function of neutron time of flight covering an incident energy range from 0.7- 20 MeV. The samples included U-235, Pu-239, carbon (graphite), and blanks that matched the encapsulation of the sample. The measured samples were constantly cycled in and out of the neutron beam. This type of experiment measures neutron emission from all reactions occurring in the sample such as fission and elastic and inelastic scattering. Similar to the methodology previously developed at RPI, the measurements were compared with detailed simulations of the experiment using different cross section evaluations for the sample. The observed differences can be attributed to the evaluated neutron cross section and angular distributions. The carbon sample was used as a reference to validate both the experiment and simulation methodology and showed good agreement between experiments and simulations. A review of the experimental setup, analysis methods, and some of the results will be presented.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2020

A comprehensive ARPES study on the type-II Dirac semimetal candidate Ir 1-x Pt x Te 2

The transition metal dichalcogenide Ir 1-x Pt x Te 2 displays both superconductivity and a topological band structure. Using angle-resolved photoemission spectroscopy, we obtain a comprehensive understanding of the three-dimensional electronic structure in the normal state of Ir 1-x Pt x Te 2 for doping levels from x = 0.1 to 0.4, which spans the composition range of a superconducting state to a non-superconducting state. Many features of the electronic structure can be attributed to strong Te–Te interactions between the layers of the layered crystal structure and can be resolved by photon energy dependent measurements. We demonstrate that the type-II Dirac fermions can be successfully tuned via Pt doping, where the Dirac point lies close to the Fermi level for x = 0.1. The band evolution vs doping provides a clearer understanding of the relationship between the superconductivity and electronic structure. In addition, the β band in the superconducting samples locates the system close to a type-II van Hove singularity, where spin triplet paring symmetry has been predicted. Our results provide a comprehensive understanding of the band structure of Ir 1-x Pt x Te 2 , and we discuss the possibilities of the existence of topological superconductivity in this system.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Stratification of polymer mixtures in drying droplets: Hydrodynamics and diffusion

In this work, we study the evaporation-induced stratification of a mixture of short and long polymer chains in a drying droplet using molecular simulations. We systematically investigate the effects of hydrodynamic interactions (HI) on this process by comparing hybrid simulations accounting for HI between polymers through the multiparticle collision dynamics technique with free-draining Langevin dynamics simulations neglecting the same. We find that the dried supraparticle morphologies are homogeneous when HI are included but are stratified in core–shell structures (with the short polymers forming the shell) when HI are neglected. The simulation methodology unambiguously attributes this difference to the treatment of the solvent in the two models. We rationalize the presence (or absence) of stratification by measuring phenomenological multicomponent diffusion coefficients for the polymer mixtures. The diffusion coefficients show the importance of not only solvent backflow but also HI between polymers in controlling the dried supraparticle morphology.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Low temperature recovery of OFF-state stress induced degradation of AlGaN/GaN high electron mobility transistors

Thermal annealing is a widely used strategy to enhance semiconductor device performance. However, the process is complex for multi-material multi-layered semiconductor devices, where thermoelastic stresses from lattice constant and thermal expansion coefficient mismatch may create more defects than those annealed. We propose an alternate low temperature annealing technique, which utilizes the electron wind force (EWF) induced by small duty cycle high density pulsed current. To demonstrate its effectiveness, we intentionally degrade AlGaN/GaN high electron mobility transistors (HEMTs) with accelerated OFF-state stressing to increase ON-resistance ∼182.08% and reduce drain saturation current ∼85.82% of pristine condition at a gate voltage of 0 V. We then performed the EWF annealing to recover the corresponding values back to ∼122.21% and ∼93.10%, respectively. The peak transconductance, degraded to ∼76.58% of pristine at the drain voltage of 3 V, was also recovered back to ∼92.38%. This recovery of previously degraded transport properties is attributed to approximately 80% recovery of carrier mobility, which occurs during EWF annealing. We performed synchrotron differential aperture x-ray microscopy measurements to correlate these annealing effects with the lattice structural changes. We found a reduction of lattice plane spacing of (001) planes and stress within the GaN layer under the gate region after EWF annealing, suggesting a corresponding decrease in defect density. Application of this low-temperature annealing technique for in-operando recovery of degraded electronic devices is discussed.

Physics↗
DOE OSTI2024

Anomalous temperature-dependent magnetization in the nearly collinear antiferromagnet Y 2 Co 3

Y 2 Co 3 is a newly discovered antiferromagnetic (AFM) compound with distorted kagome layers. Here, previous investigations via bulk magnetization measurements suggested a complex non-collinear magnetic behavior, with magnetic moments primarily anti-aligned along the b axis and some canting towards the ac plane. In this study, we report the magnetic structure of Y 2 Co 3 to be an A-type AFM structure with ferromagnetic (FM) interactions within the distorted kagome plane and an inter-plane antiferromagnetic interaction, as determined by single crystal neutron diffraction. The magnetic moments align along the b axis, with minimal canting towards the c axis, at odds with the previous interpretation of bulk magnetization measurements. The magnetic moments on the two distinct Co sites are (0, -0.68, 0) μB and (0, 1.25, 0.07) μ B . We attribute the previously reported ”non-collinear” behavior to the considerable temperature dependence of itinerant AFM exchange interactions, induced by thermal contraction along the b axis. Additionally, our examination of lattice constants through pressure studies reveals compensating effects on FM and AFM interactions, resulting in negligible pressure dependence of T N .

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2020

Machine learning study of magnetism in uranium-based compounds

Actinide and lanthanide-based materials display exotic properties that originate from the presence of itinerant or localized f electrons and include unconventional superconductivity and magnetism, hidden order, and heavy-fermion behavior. Due to the strongly correlated nature of the 5f electrons, magnetic properties of these compounds depend sensitively on applied magnetic field and pressure, as well as on chemical doping. However, precise connection between the structure and magnetism in actinide-based materials is currently unclear. In this investigation, we established such structure-property links by assembling and mining two datasets that aggregate, respectively, the results of high-throughput density functional theory simulations and experimental measurements for the families of uranium- and neptunium-based binary compounds. Various regression algorithms were utilized to identify correlations among accessible attributes (features or descriptors) of the material systems and predict their cation magnetic moments and general forms of magnetic ordering. Descriptors representing compound structural parameters and cation f-subshell occupation numbers were identified as most important for accurate predictions. The best machine learning model developed employs the random forest regression algorithm. It can predict both spin and orbit moment size with root-mean-square error of 0.17 μ B and 0.19 μ B , respectively. Lastly, the random forest classification algorithm is used to predict the ordering (paramagnetic, ferromagnetic, and antiferromagnetic) of such systems with 76% accuracy.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Study of Elastic and Structural Properties of BaFe2As2 Ultrathin Film Using Picosecond Ultrasonics

We obtain the through-thickness elastic stiffness coefficient (C33) in nominal 9 nm and 60 nm BaFe2As2 (Ba-122) thin films by using picosecond ultrasonics. Particularly, we reveal the increase in elastic stiffness as film thickness decreases from bulk value down to 9 nm, which we attribute to the increase in intrinsic strain near the film-substrate interface. Our density functional theory (DFT) calculations reproduce the observed acoustic oscillation frequencies well. In addition, temperature dependence of longitudinal acoustic (LA) phonon mode frequency for 9 nm Ba-122 thin film is reported. The frequency change is attributed to the change in Ba-122 orthorhombicity (a−b)/(a+b). This conclusion can be corroborated by our previous ultrafast ellipticity measurements in 9 nm Ba-122 thin film, which exhibit strong temperature dependence and indicate the structural phase transition temperature Ts.

36 MATERIALS SCIENCE↗
DOE OSTI2024

First Sagittarius A* Event Horizon Telescope Results. VIII. Physical Interpretation of the Polarized Ring

Abstract In a companion paper, we present the first spatially resolved polarized image of Sagittarius A* on event horizon scales, captured using the Event Horizon Telescope, a global very long baseline interferometric array operating at a wavelength of 1.3 mm. Here we interpret this image using both simple analytic models and numerical general relativistic magnetohydrodynamic (GRMHD) simulations. The large spatially resolved linear polarization fraction (24%–28%, peaking at ∼40%) is the most stringent constraint on parameter space, disfavoring models that are too Faraday depolarized. Similar to our studies of M87*, polarimetric constraints reinforce a preference for GRMHD models with dynamically important magnetic fields. Although the spiral morphology of the polarization pattern is known to constrain the spin and inclination angle, the time-variable rotation measure (RM) of Sgr A* (equivalent to ≈46° ± 12° rotation at 228 GHz) limits its present utility as a constraint. If we attribute the RM to internal Faraday rotation, then the motion of accreting material is inferred to be counterclockwise, contrary to inferences based on historical polarized flares, and no model satisfies all polarimetric and total intensity constraints. On the other hand, if we attribute the mean RM to an external Faraday screen, then the motion of accreting material is inferred to be clockwise, and one model passes all applied total intensity and polarimetric constraints: a model with strong magnetic fields, a spin parameter of 0.94, and an inclination of 150°. We discuss how future 345 GHz and dynamical imaging will mitigate our present uncertainties and provide additional constraints on the black hole and its accretion flow.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2023

Identifying the secondary electron cutoff in ultraviolet photoemission spectra for work function measurements of non-ideal surfaces

Abstract Absolute values of work functions can be determined in ultraviolet photoemission spectroscopy (UPS) by measuring the minimum kinetic energy of secondary electrons generated by a known photon energy. However, some samples can produce spectra that are difficult to interpret due to additional intensity below the true secondary electron cutoff. Disordered absorbates on elemental metals add small intensity below the onset for the transition metal surfaces studied, which can be attributed to energy losses after photoelectrons are generated. In contrast, spectra from WO 3−x films can produce multiple onsets with comparable intensity which do not fit this model. False onsets (in the context of work function measurements) can be minimized by optimizing experimental detection parameters including limiting analyzer acceptance angles and pass energy. True work functions can be identified by examining the onsets as the sample bias is varied.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Femtosecond electronic structure response to high intensity XFEL pulses probed by iron X-ray emission spectroscopy

We report the time-resolved femtosecond evolution of the K-shell X-ray emission spectra of iron during high intensity illumination of X-rays in a micron-sized focused hard X-ray free electron laser (XFEL) beam. Detailed pulse length dependent measurements revealed that rapid spectral energy shift and broadening started within the first 10 fs of the X-ray illumination at intensity levels between 10 17 and 10 18 W cm -2 . We attribute these spectral changes to the rapid evolution of high-density photoelectron mediated secondary collisional ionization processes upon the absorption of the incident XFEL radiation. These fast electronic processes, occurring at timescales well within the typical XFEL pulse durations (i.e., tens of fs), set the boundary conditions of the pulse intensity and sample parameters where the widely-accepted ‘probe-before-destroy’ measurement strategy can be adopted for electronic-structure related XFEL experiments.

99 GENERAL AND MISCELLANEOUS↗
DOE OSTI2023

Anomalous magnetothermoelectric behavior in massive Dirac materials

Extensive studies of electron transport in Dirac materials have shown positive magnetoresistance (MR) and positive magnetothermopower (MTP) in a magnetic field perpendicular to the excitation current or thermal gradient. In contrast, measurements of electron transport often show a negative longitudinal MR and negative MTP for a magnetic field oriented along the excitation current or thermal gradient; this is attributed to the chiral anomaly in Dirac materials. In this paper, we report a very different magnetothermoelectric transport behavior in the massive Dirac material ZrTe5. Although thin flakes show a commonly observed positive MR in a perpendicular magnetic field, distinct from other Dirac materials, we observe a sharp negative MTP. In a parallel magnetic field, we still observe a negative longitudinal MR, however, a remarkable positive MTP is observed for the fields parallel to the thermal gradients. Our theoretical calculations suggest that this anomalous magnetothermoelectric behavior can be attributed to the screened Coulomb scattering. This work demonstrates the significance of impurity scattering in the electron transport of topological materials and provides deep insight into the magnetotransport phenomena in Dirac materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗