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DOE OSTI2021

Growth and characterization of large (Y,La)TiO 3 and (Y,Ca)TiO 3 single crystals

The Mott-insulating rare-earth titanates ( R TiO 3 , with R being a rare-earth ion) are an important class of materials that encompasses interesting spin-orbital phases as well as ferromagnet-antiferromagnet and insulator-metal transitions. The growth of these materials has been plagued by difficulties related to overoxidation, which arises from a strong tendency of Ti 3 + to oxidize to Ti 4 + . We describe our efforts to grow sizable single crystals of YTiO 3 , Y 1 - x La x TiO 3 ( x ≤ 0.25 ), and Y 1 - y Ca y TiO 3 ( y ≤ 0.35 ) with the optical traveling-solvent floating-zone technique. Finally, we present sample characterization via chemical composition analysis, magnetometry, charge transport, neutron scattering, x-ray absorption spectroscopy, and x-ray magnetic circular dichroism to understand macroscopic physical property variations associated with overoxidation. Furthermore, we demonstrate a good signal-to-noise ratio in inelastic magnetic neutron scattering measurements of spin-wave excitations. A superconducting impurity phase, found to appear in Ca-doped samples at high doping levels, is identified as TiO.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Physics-Based Real-time Analysis and Control to Achieve Transient-Free Operations for the ITER Era (Final Report)

This is the final report for the early career award for Prof. Egemen Kolemen that aimed to develop the physics and technical basis of real-time transient – i.e. disruptions and Edge Localized Modes (ELMs) – avoidance and feedback control at the DIII-D nuclear fusion facility for the ITER era. During this project, we reconstructed high quality real-time DIII-D equilibria using kinetic information from the motional Stark effect (MSE), Thomson Scattering (TS), and Charge Exchange Recombination (CER) spectroscopy. These equilibria were analyzed in real-time to determine the low-n ideal MHD stability and the pedestal stability thresholds, and to obtain plasma response models. These calculations were used to understand which physical process evolves to lead to the onset of disruption in ITER-relevant scenarios at DIII-D, and how disruption can be predicted using stability analysis as opposed to the current methods of correlation of various signals, which are descriptive but lack predictive power. In the disruption studies, we focused on tearing modes, since these constitute the vast majority of disruptions in this regime. With this knowledge, real-time disruption avoidance algorithms were developed and tested. The enhanced situation awareness and physics insight were used in advanced real-time feedback control of pedestal and core profiles, which allowed the pursuit and sustainment of transient-free high-confinement regimes that cannot be achieved via feed-forward design based on in-between shot analysis.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

MPGD Trackers in the ePIC Detector at the EIC

The future Electron-Ion Collider (EIC) at Brookhaven National Laboratory will collide polarized electrons with polarized proton/ions. The electron ? Proton / Ion Collider (ePIC) Experiment is the EIC general-purpose detector aiming at delivering the full physics program of the EIC. This unique environment imposes stringent requirements on the tracking system needed for the measurement of the scattered electron and charged particles produced in the collisions at the EIC. The central tracker of the ePIC detector has silicon layers for tracking and vertexing based on MAPS technology, which are complemented by large Micro-Pattern Gaseous Detector (MPGD) trackers in the barrel and in both the electron and hadron end cap regions. The MPGD layers provide fast timing (10-20 ns) and additional hit points (150 µm) for pattern recognition during track finding. Two MPGD technologies are used in ePIC central trackers: cylindrical Micromegas for the barrel inner tracker and planar thin-gap GEM-µRWELL hybrid detector for the barrel outer tracker and the end cap disks. In this talk, we will introduce these two technologies in the context of ePIC and we will discuss the ongoing R&D efforts to address the requirements. Finally, we will discuss the plans and timeline for the production and testing and commissioning of the MPGD trackers for the installation in the ePIC detector.

Gnanvo, Kondo↗

DOE OSTI2026

Measurement of the \bar \nu_\mu- Hydrogen Charged-Current Elastic Cross Section in the NOvA Near Detector

We report a measurement of the total cross-section for muon antineutrino charged-current elastic scattering on hydrogen in the NOvA near detector using $12 \times 10^{20}$ protons-on-target in the NuMI beam, delivered from June 2016 to July 2019. An analysis based on topological and kinematic constraints allows the selection of the largest sample of (anti)neutrino-hydrogen interactions measured to date in the hydrogen-rich target (∼ 11%) of the NOvA detector. Backgrounds from (anti)neutrino interactions on heavier nuclei are determined using dedicated data control samples, significantly reducing the corresponding systematic uncertainties.

Talukdar, Nibir [South Carolina U., Aiken] (ORCID:↗

DOE OSTI2022

Study of Carrier Mobilities in 4H-SiC MOSFETS Using Hall Analysis

The channel conduction in 4H-SiC metal–oxide–semiconductor field effect transistors (MOSFETs) are highly impacted by charge trapping and scattering at the interface. Even though nitridation reduces the interface trap density, scattering still plays a crucial role in increasing the channel resistance in these transistors. In this work, the dominant scattering mechanisms are distinguished for inversion layer electrons and holes using temperature and body-bias-dependent Hall measurements on nitrided lateral 4H-SiC MOSFETs. The effect of the transverse electric field (E eƒƒ ) on carrier mobility is analyzed under strong inversion condition where surface roughness scattering becomes prevalent. Power law dependencies of the electron and hole Hall mobility for surface roughness scattering are determined to be E$^{-1.8}_{eƒƒ}$ and E$^{-2.4}_{eƒƒ}$, respectively, analogous to those of silicon MOSFETs. Moreover, for n-channel MOSFETs, the effect of phonon scattering is observed at zero body bias, whereas in p-channel MOSFETs, it is observed only under negative body biases. Along with the identification of regimes governed by different scattering mechanisms, these results highlight the importance of the selection of substrate doping and of E eƒƒ in controlling the value of channel mobility in 4H-SiC MOSFETs.

36 MATERIALS SCIENCE↗

DOE OSTI2020

In Situ Study of the Impact of Aberration-Corrected Electron-Beam Lithography on the Electronic Transport of Suspended Graphene Devices

The implementation of aberration-corrected electron beam lithography (AC-EBL) in a 200 keV scanning transmission electron microscope (STEM) is a novel technique that could be used for the fabrication of quantum devices based on 2D atomic crystals with single nanometer critical dimensions, allowing to observe more robust quantum effects. In this work we study electron beam sculpturing of nanostructures on suspended graphene field effect transistors using AC-EBL, focusing on the in situ characterization of the impact of electron beam exposure on device electronic transport quality. When AC-EBL is performed on a graphene channel (local exposure) or on the outside vicinity of a graphene channel (non-local exposure), the charge transport characteristics of graphene can be significantly affected due to charge doping and scattering. While the detrimental effect of non-local exposure can be largely removed by vigorous annealing, local-exposure induced damage is irreversible and cannot be fixed by annealing. We discuss the possible causes of the observed exposure effects. Our results provide guidance to the future development of high-energy electron beam lithography for nanomaterial device fabrication.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

NASA NTRS1972

Techniques in balloon X-ray astronomy.

Since the first balloon observation of the Crab Nebula balloon data have provided much information on the positions, spectra, time variability and pulsed nature of localized sources, and on the spectrum and isotropy of diffuse galactic and universal components. Measurements are limited to energies above about 20 keV by atmospheric attenuation at 2 to 3 g/sq cm depth and to below several hundred keV by detector sensitivity. Detectors usually consist of large-area Na I or Cs I scintillation counters with anticoincidence collimators for rejection of charged particles and scattered X-rays. Proportional counters are occasionally used at lower energies and solid-state detectors are used where extreme energy resolution is important. The instruments require a pointing capability on the order of 1.0 to 0.1 deg, depending on the collimator aperture. Digital data is either recorded on board or telemetered using a PCM technique.

Peterson, L. E.↗

NASA NTRS1976

Nondiffusive propagation of cosmic rays in the solar system and in extragalactic radio sources

If charged particles are scattered by random magnetic fields while they propagate along the diverging lines of force of a spatially inhomogeneous guiding field, the diffusive mode of transport, which occurs when adiabatic focusing is weak compared to scattering, gives way to novel coherent modes when focusing becomes dominant. This paper begins with a nonmathematical discussion of the higher-order transport phenomena that underlie these modes, and goes on to explore some astrophysical implications of their existence. In an interplanetary context, one of the new modes, the supercoherent mode, corresponds exactly to the 'scatter-free' propagation of kilovolt solar-flare electrons. Moreover, quasi-diffusive propagation in the presence of moderately strong focusing offers an explanation of several poorly understood aspects of solar cosmic-ray events. On a much larger scale, focused transport provides an interpretation of many observed characteristics of extragalactic radio sources. In particular, their double structure is explained in terms of basic transport phenomena.

Earl, J. A.↗

NASA NTRS1984

An abrasion-ablation model description of galactic heavy-ion fragmentation

The fragmentation of high-energy galactic heavy ions by nuclear interactions with arbitrary target nuclei is described within the context of a simple abrasion-ablation fragmentation model. The abrasion part of the theory utilizes a quantum-mechanical formalism based upon an optical model potential approximation to the exact nucleus-nucleus multiple-scattering series. Nuclear charge distributions of the excited prefragments are calculated using either a hypergeometric distribution or a method based upon the zero-point oscillations of the giant dipole resonance. The excitation energy of the prefragment is estimated from the geometric clean-cut abrasion-ablation model. The decay probabilities for the various particle emission channels, in the ablation stage of the fragmentation, are obtained from the EVAP-4 Monte Carlo computer program. Elemental production cross sections for 1.88-GeV/nucleon iron colliding with carbon, silver, and lead targets are calculated and compared with experimental data and with the predictions from the semiempirical relations of Silberberg and Tsao.

Townsend, L. W.↗

NASA NTRS1987

Charge distribution and response time for a modulation-doped extrinsic infrared detector

The electric charge distribution and response time of a modulation-doped extrinsic infrared detector are determined. First, it is demonstrated theoretically that the photoconductive layer is effectively depleted of ionized majority-impurity charges so that scattering is small and mobility is high for photogenerated carriers. Then, using parameters appropriate to an actual detector, the predicted response time is 10 to the -8th to about 10 to the -9th s, which is much faster than comparable conventional detectors. Thus, the modulation-doped detector design would be valuable for heterodyne applications.

Hadek, Victor↗

NASA NTRS1988

Comparative study of cross-field and field-aligned electron beams in active experiments

Beam-plasma interactions associated with the cross-field and field-aligned injection of electron beams from spacecraft were investigated using a two-dimensional (three velocity component) electrostatic particle simulations. It is shown that the beam properties and plasma response can be characterized well by the ratio between the stagnation time and the plasma response time, which depends on the ratio of the ambient plasma density to the beam density, the beam width, the beam energy, and the spacecraft length. It was found that the beams injected across the field lines tend to lose their coherence after about one or two gyrations due to space-charge oscillations induced by the beam, irrespective of the spacecraft charging. These oscillations scatter the beam electrons into a hollow cylinder of a radius equal to a beam electron gyroradius and thickness of the order of two beam Debye lengths. Parallel injected beams are subjected to similar oscillations, which cause the beam to expand to fill a solid cylinder of a comparable thickness.

Winglee, R. M.↗

NASA NTRS1996

Preparation and Thermoelectric Properties of the Skutterudite-Related Phase Ru(0.5)Pd(0.5)Sb3

A new skutterudite phase Ru(0.5)Pd(0.5)Sb3 was prepared. This new phase adds to a large number of already known materials with the skutterudite structure which have shown good potential for thermoelectric applications. Single phase, polycrystalline samples were prepared and characterized by x-ray analysis, electron probe microanalysis, density, sound velocity, thermal-expansion coefficient, and differential thermal analysis measurements. Ru(0.5)Pd(0.5)Sb3 has a cubic lattice, space group Im3 (T(sup 5, sub h)), with a = 9.298 A and decomposes at about 920 K. The Seebeck coefficient, the electrical resistivity, the Hall effect, and the thermal conductivity were measured on hot-pressed samples over a wide range of temperatures. Preliminary results show that Ru(0.5)Pd(0.5)Sb3 behaves as a heavily doped semiconductor with an estimated band gap of about 0.6 eV. The lattice thermal conductivity of Ru(0.5)Pd(0.5)Sb3 is substantially lower than that of the binary isostructural compounds CoSb3 and IrSb3. The unusually low thermal conductivity might be explained by additional hole and charge transfer phonon scattering in this material. The potential of this material for thermoelectric applications is discussed.

Caillat, T.↗

NASA NTRS1999

Lightning and 85-GHz MCSs in the Global Tropics

Numerous observations of tropical convection show that tropical continental mesoscale convective systems (MCSs) are much more prolific lightning producers than their oceanic counterparts. Satellite-based climatologies using 85-GHz passive microwave ice-scattering signatures from the Special Sensor Microwave/Imager (SSM/I) indicate that MCSs of various size and intensity are found throughout the global tropics. In contrast, global lightning distributions show a strong land bias with an order of magnitude difference between land and ocean lightning. This is somewhat puzzling, since 85-GHz ice-scattering and the charge separation processes that lead to lightning are both thought to depend upon the existence of large graupel particles. The fact that low 85-GHz brightness temperatures are observed in tropical oceanic MCSs containing virtually no lightning leads to the postulate that tropical oceanic and tropical continental MCSs have fundamentally different hydrometeor profiles through the mixed phase region of the cloud (0 C <= T <= 20 C). Until recently, validation of this postulate has not been practicable on a global scale. Recent deployment of the Tropical Rainfall Measuring Mission (TRMM) satellite presents a unique opportunity for MCS studies. The multi-sensor instrument ensemble aboard TRMM, including a multi-channel microwave radiometer, the Lightning Imaging Sensor (LIS), and the first space-borne radar, facilitates high-resolution case studies of MCS structure throughout the global tropics. An important precursor, however, is to better understand the distribution of MCSs and lightning in the tropics. With that objective in mind, this research undertakes a systematic comparison of 85-GHz-defined MCSs and lightning over the global tropics for a full year, as an initial step toward quantifying differences between land and ocean convective systems.

Toracinta, E. Richard↗

NASA NTRS2005

A Dynamic Fountain Model for Lunar Dust

During the Apollo era of exploration it was discovered that sunlight was scattered at the terminators giving rise to horizon glow and streamers above the lunar surface. This was observed from the dark side of the Moon during sunset and sunrise by both surface landers and astronauts in orbit. These observations were quite unexpected, as the Moon was thought to be a pristine environment with a negligible atmosphere or exosphere. Subsequent investigations have shown that the sunlight was most likely scattered by electrostatically charged dust grains originating from the surface. It has since been demonstrated that this dust population could have serious implications for astronomical observations from the lunar surface. The lunar surface is electrostatically charged by the Moon s large-scale interaction with the local plasma environment and the photoemission of electrons due to solar ultra-violet (UV) light and X-rays. The like-charged surface and dust grains then act to repel each other, such that under certain conditions the dust grains are lifted above the surface. We present a dynamic fountain model which can explain how sub-micron dust is able to reach altitudes of up to approximately 100 km above the lunar surface. Previous static dust levitation models are most applicable to the heavier micron-sized grains in close proximity proximity to the surface, but they cannot explain the presence of extremely light grains at high altitudes. If we relax the static constraint applied to previous models, and instead assume that the grains are in constant motion (under the action of dynamic forces), a new picture emerges for the behavior of sub-micron lunar dust.

Stubbs, T. J.↗

NASA NTRS2007

Electric Propulsion Interactions Code (EPIC): Recent Enhancements and Goals for Future Capabilities

The Electric Propulsion Interactions Code (EPIC) is the leading interactive computer tool for assessing the effects of electric thruster plumes on spacecraft subsystems. EPIC, developed by SAIC under the sponsorship of the Space Environments and Effects (SEE) Program at the NASA Marshall Space Flight Center, has three primary modules. One is PlumeTool, which calculates plumes of electrostatic thrusters and Hall-effect thrusters by modeling the primary ion beam as well as elastic scattering and charge-exchange of beam ions with thruster-generated neutrals. ObjectToolkit is a 3-D object definition and spacecraft surface modeling tool developed for use with several SEE Program codes. The main EPIC interface integrates the thruster plume into the 3-D geometry of the spacecraft and calculates interactions and effects of the plume with the spacecraft. Effects modeled include erosion of surfaces due to sputtering, re-deposition of sputtered materials, surface heating, torque on the spacecraft, and changes in surface properties due to erosion and deposition. In support of Prometheus I (JIMO), a number of new capabilities and enhancements were made to existing EPIC models. Enhancements to EPIC include adding the ability to scale and view individual plume components, to import a neutral plume associated with a thruster (to model a grid erosion plume, for example), and to calculate the plume from new initial beam conditions. Unfortunately, changes in program direction have left a number of desired enhancements undone. Variable gridding over a surface and resputtering of deposited materials, including multiple bounces and sticking coefficients, would significantly enhance the erosion/deposition model. Other modifications such as improving the heating model and the PlumeTool neutral plume model, enabling time dependent surface interactions, and including EM1 and optical effects would enable EPIC to better serve the aerospace engineer and electric propulsion systems integrator. We review EPIC S overall capabilities and recent modifications, and discuss directions for future enhancements.

Gardner, Barbara M.↗

DOE OSTI2022

Search For Excited Cascade Hypersons (¿*-) Using the CLAS12 Spectrometer at Jefferson Laboratory

The number of experimentally observed doubly strange Cascade states to date is far fewer than has been predicted theoretically. The CLAS12 Very Strange physics program (E12- 11-005A) at the Thomas Jefferson National Accelerator Facility aims to study the electroproduction of these states using the newly upgraded CEBAF Large Acceptance Spectrometer for 12 GeV (CLAS12) in experimental Hall B. In this project, the reaction ep ! e0K+K+??? ! e0K+K+K?(?=?0) is studied using CLAS12 Run Group A (RG-A) data sets taken by impinging electron beams of 10:2 and 10:6 GeV energies on an LH2 target. Scattered electrons are detected with either the Forward Detector (FD), covering a polar angle range of 5? to 35? to study electroproduction, or with the Forward Tagger (FT), covering a polar angle range of 2:5? to 4:5?, to study quasi-real photoproduction. The CLAS12 detector with nearly a 4? solid angle coverage is used to detect scattered electrons and charged kaons in the ?final state. ?=?0 hyperons are reconstructed using the missing mass technique to explore intermediate doubly-strange hyperons (???) that decay to K? and ?=?0. No statistically significant ??? states other than the ???(1530) were found in the missing mass spectra based on the currently available statistics in the CLAS12-FD acceptance only. A maximum log-likelihood method is implemented to determine the statistical significance and the upper limits on the ???(1820) electroproduction cross section by constructing 95% confidence level boundaries on the ???(1820) yields. Additional research was conducted to investigate the upper limit electroproduction cross section of the reaction ep ! e0K+K+??? ! e0K+K+K?(?=?0) as a function of the electroproduced ??? mass and the differential cross section ( d?dMM(e0K+K+) ) as a function of missing mass MM(e0K+K+) for electroproduction and quasi-real photoproduction processes.

Khanal, Achyut↗

DOE OSTI2026

Thermoelectric Behavior of Structurally Disordered Lanthanide and Actinide Silicides

Lanthanide and actinide intermetallic materials exhibit intriguing electronic, structural, and magnetic properties arising from their partially filled f orbitals. Strong f-electron correlations can significantly modify the electronic density of states, carrier scattering, and transport behavior, making these systems promising candidates for unconventional thermoelectric materials. In previous studies, single crystals of A1.33T4Al8Si2 (A = Ce, Th, U, Np; T = Co, Ni) were synthesized. This structure consists of ordered TAl2 corrugated double layers separated by disordered An–Si monolayers. The inherent disorder within the An–Si layers has been linked to unusual magnetic behavior, such as spin-glass phenomena, and is expected to strongly influence phonon scattering and charge-carrier transport relevant to thermoelectric performance. However, the thermoelectric properties of this material family have not previously been explored. In this work, DFT calculations were performed to evaluate the electronic density of states, band structures, and thermoelectric properties, including the effects of doping. To validate these predictions, Ce1.33Co4Al8Si2 single crystals were grown and experimentally characterized. Additionally, a new Yb1.33Co4Al8Si2 phase was synthesized and characterized using single-crystal XRD, SEM-EDS, magnetization measurements, and thermoelectric measurements. These results provide insight into structure–property relationships governing thermoelectric behavior in f-electron intermetallics and offer guidance for future thermoelectric materials.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗

DOE OSTI2021

Probing charge density wave phases and the Mott transition in 1 T -TaS 2 by inelastic light scattering

We present a polarization-resolved, high-resolution Raman scattering study of the three consecutive charge density wave (CDW) regimes in 1T - TaS 2 single crystals, supported by ab initio calculations. Our analysis of the spectra within the low-temperature commensurate (C-CDW) regime shows P$\bar3$ symmetry of the system, thus excluding the previously proposed triclinic stacking of the “star-of-David” structure, and promoting trigonal or hexagonal stacking instead. The spectra of the high-temperature incommensurate (IC-CDW) phase directly project the phonon density of states due to the breaking of the translational invariance, supplemented by sizable electron-phonon coupling. Between 200 and 352 K, our Raman spectra show contributions from both the IC-CDW and the C-CDW phases, indicating their coexistence in the so-called nearly commensurate (NC-CDW) phase. The temperature dependence of the symmetry-resolved Raman conductivity indicates the stepwise reduction of the density of states in the CDW phases, followed by a Mott transition within the C-CDW phase. We determine the size of the Mott gap to be Ω gap ≈ 170 – 190 meV, and track its temperature dependence.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗