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All sources NASA NTRS DOE OSTI

DOE OSTI2021

Solving the Bethe-Salpeter equation on a subspace: Approximations and consequences for low-dimensional materials

It is well known that the ambient environment can dramatically renormalize the quasiparticle gap and exciton binding energies in low-dimensional materials, but the effect of the environment on the energy splitting of the spin-singlet and spin-triplet exciton states is less understood. A prominent effect is the renormalization of the exciton binding energy and optical strength (and hence the optical spectrum) through additional screening of the direct Coulomb term describing the attractive electron-hole interaction in the kernel of the Bethe-Salpeter equation. The repulsive exchange interaction responsible for the singlet-triplet splitting, on the other hand, is unscreened within formal many-body perturbation theory. However, Benedict argued that in practical calculations restricted to a subspace of the full Hilbert space, the exchange interaction should be appropriately screened by states outside of the subspace, the so-called S approximation [L. X. Benedict, Phys. Rev. B 66, 193105 (2002)PRBMDO0163-182910.1103/PhysRevB.66.193105]. Here, we systematically explore the accuracy of the S approximation for different confined systems, including a molecule and heterostructures of semiconducting and metallic layered materials. We show that the S approximation is actually exact in the limit of small exciton binding energies (i.e., small direct term) and can be used to significantly accelerate convergence of the exciton energies with respect to the number of empty states, provided that a particular effective screening consistent with the conventional Tamm-Dancoff approximation is employed. We further find that the singlet-triplet splitting in the energy of the excitons is largely unaffected by the external dielectric environment for most quasi-two-dimensional materials.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2020

AMPPED LDRD: Advanced Models of the Physics & Phenomena of Electrical Discharge.

This Laboratory Directed Research and Development (LDRD) project aimed at addressing an unmet need for physics-based models that enable prediction of electrical breakdown in the presence of high voltage gradients and real-world environments. This project focused on understanding coupled plasma-surface feedback phenomena critical to electrical discharge processes and design of breakdown voltages, breakdown times, and breakdown paths. New secondary electron emission and coupled plasma-surface measurement methods and models were developed. Highly reproducible discharge experiments were developed to provide current-voltage data as a function of time, and methods were developed to condition electrodes for predictable discharge. To assess plasma-surface feedback mechanisms, new surface physics capabilities, including measurement systems for local and global photoemission yield and ion-induced secondary electron emission yield were developed. Discharge models were developed to incorporate these yields for predicting discharge behavior to understand influence of surface physics on discharge current and time evolution, and methods to accelerate these simulations were demonstrated. A key finding was that the initiation process of a non-vacuum discharge appears highly dependent on photoemission at the cathode. Advanced diagnostics were developed, including spatial electrical field imaging, spectroscopy of plasmas, and high-speed imaging of discharge event s in metal and dielectric environments. These diagnostics and improved electrical models are a step toward enabling quantitative design margins, assurance of safety architectures, and implementation of novel materials and technologies for wide ranging energy and electronics applications.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2024

Observation of Skewed Electromagnetic Wakefields in an Asymmetric Structure Driven by Flat Electron Bunches

Relativistic charged -particle beams that generate intense longitudinal fields in accelerating structures also inherently couple to transverse modes. The effects of this coupling may lead to beam breakup instability and thus must be countered to preserve beam quality in applications such as linear colliders. Beams with highly asymmetric transverse sizes (flat beams) have been shown to suppress the initial instability in slab -symmetric structures. However, as the coupling to transverse modes remains, this solution serves only to delay instability. In order to understand the hazards of transverse coupling in such a case, we describe here an experiment characterizing the transverse effects on a flat beam, traversing near a planar dielectric lined structure. Further, the measurements reveal the emergence of a previously unobserved skew-quadrupolelike interaction when the beam is canted transversely, which is not present when the flat beam travels parallel to the dielectric surface. We deploy a multipole field fitting algorithm to reconstruct the projected transverse wakefields from the data. We generate the effective kick vector map using a simple two -particle theoretical model, with particle -in -cell simulations used to provide further insight for realistic particle distributions.

43 PARTICLE ACCELERATORS↗

DOE OSTI2025

Coexisting Phases in NaNbO 3 Thin Films Influenced by Epitaxial Strain and Size Effects

Coherently strained NaNbO 3 thin films are synthesized across a range of thicknesses, enabling the study of size effects under epitaxial strain in antiferroelectric thin films without relaxation. Competing antiferroelectric‐ferroelectric phases are observed, leading to the stabilization of phase coexistence, multistate switching with strong retention and fatigue performance, and potential avenues to boost energy storage properties.

antiferroelectrics↗

NASA NTRS2010

Supercapacitor Electrolyte Solvents with Liquid Range Below -80 C

A previous NASA Tech Brief ["Low-Temperature Supercapacitors" (NPO-44386) NASA Tech Briefs, Vol. 32, No 7 (July 2008), page 32] detailed ongoing efforts to develop non-aqueous supercapacitor electrolytes capable of supporting operation at temperatures below commercially available cells (which are typically limited to charging and discharging at > or equal to -40 C). These electrolyte systems may enable energy storage and power delivery for systems operating in extreme environments, such as those encountered in the Polar regions on Earth or in the exploration of space. Supercapacitors using these electrolytes may also offer improved power delivery performance at moderately low temperatures (e.g. -40 to 0 C) relative to currently available cells, offering improved cold-cranking and cold-weather acceleration capabilities for electrical or hybrid vehicles. Supercapacitors store charge at the electrochemical double-layer, formed at the interface between a high surface area electrode material and a liquid electrolyte. The current approach to extending the low-temperature limit of the electrolyte focuses on using binary solvent systems comprising a high-dielectric-constant component (such as acetonitrile) in conjunction with a low-melting-point co-solvent (such as organic formates, esters, and ethers) to depress the freezing point of the system, while maintaining sufficient solubility of the salt. Recent efforts in this area have led to the identification of an electrolyte solvent formulation with a freezing point of -85.7 C, which is achieved by using a 1:1 by volume ratio of acetonitrile to 1,3-dioxolane

Brandon, Erik↗

DOE OSTI2021

Electron Activity (Secondary Electron & Field Emission ) Suppression by Magnetic Field Placed on the Surface of Metals And Dielectric [Slides]

Secondary electron emission happens when the surface is exposed to an oscillating electromagnetic field. It has extremely dangerous effect when resonance condition of this oscillating field and higher SEY conditions are met. The dependence of the secondary electron on primary electron energy is shown in the figure. This multiplication effect on the number of electrons in oscillating electromagnetic field is called multipacting. The problem with multipacting exist in many scientific fields like LHC, ISS, ITER involving particle accelerator, space science and fusion research. In high intensity proton rings this multiplies electron get trapped inside the potential created by proton beam called electron cloud. In High power microwave sources, rf couplers and rf window to couple the power also hugely affected by multipacting.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2026

Operation of a Modular 3D-Pixelated Liquid Argon Time-Projection Chamber in a Neutrino Beam

The 2x2 Demonstrator, a prototype for the Deep Underground Neutrino Experiment (DUNE) liquid argon (LAr) Near Detector, was exposed to the Neutrinos from the Main Injector (NuMI) neutrino beam at Fermi National Accelerator Laboratory (Fermilab). This detector is a prototype of a new modular design for a liquid argon time-projection chamber (LArTPC), comprising a two-by-two array of four modules, each further segmented into two optically isolated LArTPCs. The 2x2 Demonstrator features a number of pioneering technologies, including a low-profile resistive field shell to establish drift fields, native 3D ionization pixelated imaging, and a high-coverage dielectric light readout system. The 2.4-tonne active mass detector is flanked upstream and downstream by supplemental solid-scintillator tracking planes, repurposed from the MINERvA experiment, which track ionizing particles exiting the argon volume. The antineutrino beam data collected by the detector over a 4.5 day period in 2024 include over 30,000 neutrino interactions in the LAr active volume—the first neutrino interactions reported by a DUNE detector prototype. During its physics-quality run, the 2x2 Demonstrator operated at a nominal drift field of 500 V/cm and maintained good LAr purity, with a stable electron lifetime of approximately 1.25 ms. This paper describes the detector and supporting systems, summarizes the installation and commissioning, and presents the initial validation of collected NuMI beam and off-beam self-triggers. In addition, it highlights observed interactions in the detector volume, including candidate muon antineutrino events.

47 OTHER INSTRUMENTATION↗

NASA NTRS2000

Correlation Between Material Properties of Ferroelectric Thin Films and Design Parameters for Microwave Device Applications: Modeling Examples and Experimental Verification

The application of thin ferroelectric films for frequency and phase agile components is the topic of interest of many research groups worldwide. Consequently, proof-of-concepts (POC) of different tunable microwave components using either (HTS, metal)/ferroelectric thin film/dielectric heterostructures or (thick, thin) film "flip-chip" technology have been reported. Either as ferroelectric thin film characterization tools or from the point of view of circuit implementation approach, both configurations have their respective advantages and limitations. However, we believe that because of the progress made so far using the heterostructure (i.e., multilayer) approach, and due to its intrinsic features such as planar configuration and monolithic integration, a study on the correlation of circuit geometry aspects and ferroelectric material properties could accelerate the insertion of this technology into working systems. In this paper, we will discuss our study performed on circuits based on microstrip lines at frequencies above 10 GHz, where the multilayer configuration offers greater ease of insertion due to circuit's size reduction. Modeled results of relevant circuit parameters such as the characteristic impedance, effective dielectric constant, and attenuation as a function of ferroelectric film's dielectric constant, tans, and thickness, will be presented for SrTiO3 and Ba(x)Sr(1-x)TiO3 ferroelectric films. A comparison between the modeled and experimental data for some of these parameters will be presented.

Miranda, Felix A.↗

DOE OSTI2024

GPU-Accelerated Solution of the Bethe–Salpeter Equation for Large and Heterogeneous Systems

We present a massively parallel GPU-accelerated implementation of the Bethe–Salpeter equation (BSE) for the calculation of the vertical excitation energies (VEEs) and optical absorption spectra of condensed and molecular systems, starting from single-particle eigenvalues and eigenvectors obtained with density functional theory. The algorithms adopted here circumvent the slowly converging sums over empty and occupied states and the inversion of large dielectric matrices through a density matrix perturbation theory approach and a low-rank decomposition of the screened Coulomb interaction, respectively. Further computational savings are achieved by exploiting the nearsightedness of the density matrix of semiconductors and insulators to reduce the number of screened Coulomb integrals. We scale our calculations to thousands of GPUs with a hierarchical loop and data distribution strategy. The efficacy of our method is demonstrated by computing the VEEs of several spin defects in wide-band-gap materials, showing that supercells with up to 1000 atoms are necessary to obtain converged results. We discuss the validity of the common approximation that solves the BSE with truncated sums over empty and occupied states. In conclusion, we then apply our GW-BSE implementation to a diamond lattice with 1727 atoms to study the symmetry breaking of triplet states caused by the interaction of a point defect with an extended line defect.

Absorption spectra↗

DOE OSTI2025

Compact in situ probe for magnetotransport measurements of 2D materials under variable tensile strain

The recent development of freestanding oxide membranes has opened new opportunities for strain engineering of transition metal oxides beyond values accessible in bulk samples. While a number of studies have been performed with fixed strain, the ability to dynamically control the strain state during measurement would be greatly enabling. To this end, we present an in situ uniaxial strain probe optimized for transport measurements of tensile-strained 2D or quasi-2D materials down to 2 K. Utilizing a flexible polyimide substrate as the stress transfer medium, our platform simplifies the sample preparation process and allows precise alignment of strain fields relative to the crystalline axes. An in situ optical microscope monitors the macroscopic strain state operando and makes it possible to complete an entire magnetotransport study at cryogenic temperatures under continuous strain variations. We demonstrate the capabilities of the probe on a freestanding LaNiO 3 membrane, where we induce tensile strain up to 8% and observe a corresponding strong transport anisotropy. In view of the rapid developments in low-dimensional materials synthesis and the plethora of novel quantum phenomena they exhibit, this strain probe provides general instrumentation for examining and controlling these properties via strain.

2D materials↗

DOE OSTI2023

A Reconfigurable Planar Capacitor Sensor for Thru the Jacket Dielectric Constant Measurement of Cable Insulation

Planar capacitor sensors have been proposed to measure the aging-related dielectric constant variation of the jacket or insulation materials of cables. Although capacitor sensors have been used to monitor the aging of cable insulation by removing the jacket, through the jacket measurement of cable insulation dielectric constant variation is difficult because once the sensor is placed on the jacket it would either measure the aging of the jacket or that of the jacket and insulation together. A reconfigurable sensor along with innovative cable-specific models could be used to determine the jacket and insulation aging using the same sensor. For the proposed novel reconfigurable sensor, the electric field penetration depth is changed by activating and deactivating PIN diode switches. In one instance, the sensor measures the dielectric constant variation of the jacket, while in the next, it measures the dielectric constant variation of both the jacket and the insulation. Here, by leveraging previously developed capacitance estimation models from large-scale finite element simulations for a specific cable, these two sets of measurement data are used to evaluate the aging-related dielectric constant variation of the insulation. Experimental data from aged cable specimens are presented to demonstrate the operation of the sensor.

47 OTHER INSTRUMENTATION↗

NASA NTRS1981

Properties of dust particles in Comet Halley from observations made in 1910 during its encounter with the Earth

Observations of the dust tail of Comet Halley about the time of the Earth's transit across the orbit plane of the comet are analyzed. The Earth grazed the tail, whose apparent length reached up to 150 deg. The maximum acceleration the ejecta were subjected to by solar radiation pressure is approximately 2.5 times the solar attraction. This acceleration indicates the presence of submicron sized, strongly absorbing particles. Their detectable contribution to the tail's brightness is limited to the immediate proximity of the orbit plane because of a low reflectivity and/or a low spatial density. The width of the tail, observed edgewise at the time of transit, is determined by particles whose beta = 05, possibly submicron sized dielectric grains. Their derived ejection velocity = 450 m/sec.

Sekanina, Z.↗

DOE OSTI2023

Overview and Commissioning Status of the UCLA MITHRA Facility

Presented here are the first results of commissioning of the S-Band hybrid photoinjector and laser systems at the new accelerator and light source facility, MITHRA, at UCLA. The radiation bunker and capabilities of the facility are described with motivation for detailed measurement of beam parameters explained. Following thorough characterization of the photoinjector, a 1.5 m linac is to be installed and experiments up to 30 MeV will begin. These will include experiments in basic plasma physics, space plasma, terahertz production in dielectric structures, and inverse Compton scattering and applications for the X-rays produced.

Williams, Oliver (ORCID:0000000255874982)↗

NASA NTRS2001

ISS And Space Environment Interactions Without Operating Plasma Contactor

The International Space Station (ISS) will be the largest, highest power spacecraft placed in orbit. Because of this the design of the electrical power system diverged markedly from previous systems. The solar arrays will operate at 160 V and the power distribution voltage will be 120 V. The structure is grounded to the negative side of the solar arrays so under the right circumstances it is possible to drive the ISS potential very negative. A plasma contactor has been added to the ISS to provide control of the ISS structure potential relative to the ambient plasma. The ISS requirement is that the ISS structure not be greater than 40 V positive or negative of local plasma. What are the ramifications of operating large structures with such high voltage power systems? The application of a plasma contactor on ISS controls the potential between the structure and the local plasma, preventing degrading effects. It is conceivable that there can be situations where the plasma contactor might be non-functional. This might be due to lack of power, the need to turn it off during some of the build-up sequences, the loss of functionality for both plasma contactors before a replacement can be installed, similar circumstances. A study was undertaken to understand how important it is to have the contactor functioning and how long it might be off before unacceptable degradation to ISS could occur. The details of interaction effects on spacecraft have not been addressed until driven by design. This was true for ISS. If the structure is allowed to float highly negative impinging ions can sputter exposed conductors which can degrade the primary surface and also generate contamination due to the sputtered material. Arcing has been known to occur on solar arrays that float negative of the ambient plasma. This can also generate electromagnetic interference and voltage transients. Much of the ISS structure and pressure module surfaces exposed to space is anodized aluminum. The anodization thickness is very thin to provide the required solar absorptance and emittance. For conditions where ISS structure can charge negative a large percentage of the array voltage, the dielectric strength of this layer is low, and dielectric breakdown (arcing) can occur. The energy stored capacitively in the structure can be delivered to the arc. The mechanisms by which this energy is delivered and how much of the energy is available hasn't been fully quantified. Questions have been raised regarding the possibility of whether a sustained arc might result due to current collected by the solar arrays from local plasma. It was postulated that even if dielectric breakdown didn't occur, impacts due to micrometeoroids and space debris could penetrate thin layers of dielectric on ISS and initiate an arc due to the coupling provided by the dense local plasma produced by the impact. This was proven in experiments conducted jointly by MSFC and Auburn University. A target chamber with a simulated ionospheric plasma and a biased, anodized aluminum plate and a 1-microfarad capacitor was used. The plate was then impacted by 75-micron particles accelerated to orbital velocity. Arc discharges were sustained for higher voltages but a threshold appears below which no discharge was initiated. Most items without an exposed power system will float electrically near the local plasma potential. This is true of the Space Shuttle, an Astronaut on EVA, and similar items. The structure of ISS might be at a large negative voltage. Therefore, capacitively stored energy can be transferred during docking, installing external boxes and equipment and Astronaut contact with ISS structure. The circumstances of when this can happen and the resulting effects are evaluated in this study. Also, a crewmember on EVA might be in the vicinity of an arc. All safety aspects of such an encounter including charging, molten particles from the arc site and EMI have been evaluated. This paper will report on the total results of this study focussed on the 4A configuration, scheduled to be complete in November, 2000. Interactions such as arcing, debris induced arcs, sustained arcs, sputtering, contamination from sputtering and arcing, docking interactions and Astronaut safety issues will all be addressed.

Carruth, M. R., Jr.↗

DOE OSTI2021

Microwave-assisted conversion of methane over H-(Fe)-ZSM-5: Evidence for formation of hot metal sites

We report microwave-assisted catalysis offers great promise as an “intensified” technology for chemical processing. The present study investigates microwave-assisted direct conversion of methane with focus on the design and evaluation of microwave-sensitive H-(Fe)ZSM-5 catalysts for the existence of hotspot formation. Isomorphous substituted H-(Fe)ZSM-5 catalysts are tuned to identify key design parameters that control their microwave sensitivity. Increasing the amount of Al and Fe substitution in the zeolite lattice is found to result in higher microwave sensitivity due to improved dielectric properties and hence facilitated microwave heating of the catalyst bed. Comparison between the performance of these catalysts in a conventional thermally-heated (CH) fixed-bed and a microwave (MW) reactor allows identification of the effect of microwave irradiation on the catalyst activity. Methane conversion is drastically enhanced at MW conditions (from 3% at CH conditions to 40% at MW conditions), indicating accelerated methane activation over the metal site and hence suggesting a hot metal site despite much lower catalyst bulk temperature measured in the microwave reactor. The existence of metal hotspot formation is further supported by the reaction product distribution and spent catalyst analysis. At MW conditions, C 2 (ethane and ethylene) and coke (mainly carbon nanotubes and nanofibers) selectivity are much higher at the cost of aromatics make compared to CH conditions. This can be explained by reduced aromatization activity at the Brønsted acid sites of the zeolite due to its lower relative temperature of the zeolite. The much-enhanced metal aggregation observed in the spent catalyst from the MW reactor along with the distribution of coke species further confirms the existence of selective heating (i.e. hotspot formation) occurring at the active metal site in the catalyst at MW conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2024

Modeling the impact of high thermal conductivity paper on the performance and life of power transformers

Degradation of insulation paper is a key contributor to the failure of power transformers. Insulation degradation accelerates at elevated temperatures, which highlights the potential for better thermal management to prolong life. While several studies have analyzed the benefits of high thermal conductivity oil for reducing temperatures inside a transformer, this study is an initial assessment of the benefits of high thermal conductivity paper on transformer life. Blending particulates with cellulosic fibers offers a pathway for high thermal conductivity paper (with good dielectric properties), which can reduce internal temperatures. Presently, life extensions that can be achieved by the use of such thermally conducting papers were estimated, with the thermal conductivity of the paper being the key parameter under study. The analytical-numerical thermal model used in this study was validated against experimental measurements in a distribution transformer, adding confidence to the utility of the model. This model was then used to provide estimates of hot-spot temperature reduction resulting from the use of papers with higher thermal conductivity than baseline. Transformer life was predicted conventionally by tracking the degree of polymerization of paper over time, based on an Arrhenius model. Results indicate that increasing the thermal conductivity of paper from 0.2 W/mK (baseline) to 1W/mK reduces the hot spot temperature by 10°C. While degradation significantly depends on the moisture and oxygen content, the model shows that such a temperature reduction can increase life for all conditions, by as much as a factor of three.

42 ENGINEERING↗

DOE OSTI2021

Estimating Beam-Target Heating

At Los Alamos National Laboratory, two high-current linear induction accelerators (LIAs) are used to produce bremsstrahlung source spots for flash radiography of high-explosive driven hydrodynamic experiments at the Dual Axis Radiographic Hydrodynamic Test (DARHT) facility. Measurements of the electron-beam current density profile are valuable for understanding the beam dynamics in order to improve the quality of the radiography source spot. A technique commonly used at DARHT is to image the profile in Cerenkov or Optical Transition Radiation (OTR) light created by the beam striking a thin target inserted into the beam line. Target materials include aluminized dielectrics and titanium foils for OTR, and fused silica wafers for Cerenkov radiation. A practical complication with this technique is heating of the target by the electron beam. If the beam density is too great, the target can be destroyed. Moreover, even if the beam density is kept low enough to be nondestructive, the beam can heat the target to a high enough temperature to desorb gas from the surface. In that case, direct impact ionization of the gas by beam electrons can partially neutralize the beam, causing it to over-focus, thereby spoiling the data, if not destroying the target. The purpose of this note is to review some of the fundamental physics of electron beam heating in order to provide some elementary guidance for design of these imaging experiments to avoid overheating the target. Some specific examples for materials that we often use for imaging targets and beam-target experiments are provided.

43 PARTICLE ACCELERATORS↗

DOE OSTI2021

A Comparison of Emerging Nonfluoropolymer-Based Coextruded PV Backsheets to Industry-Benchmark Technologies

As the photovoltaic (PV) industry is rapidly expanding around the world, there has been an increasing interest in extending the lifespan of PV modules. Concern has also emerged regarding the recyclability of modules and their component materials, including fluoropolymer-based backsheets. Laminated polyethylene-terephthalate (PET) core backsheets have traditionally been used in the PV industry, but new, coextruded polyolefin (PO) backsheets show promise as an improved alternative. In this work, minimodule and coupon samples of seven different backsheets (made of layers including contemporary PET and fluoropolymers, novel PO, and polyamide materials) were run through hygrometric- or UV photolytic-accelerated aging to identify and better understand each material's degradation modes and the backsheets' field reliability. In addition to the artificial aging, the natural weathering methods used in this article are described. The comprehensive set of chemical, mechanical, and structural characterizations at intermittent read points in this article is presented, including: visual appearance and color; gloss; mechanical tensile testing; I-V performance; electroluminescence (EL) imaging; dielectric breakdown; Fourier-transform infrared-chemical structure; X-ray-polymer structure; and differential scanning calorimetry-crystalline content. After 4000 h of aging, a strong correlation occurs between initial physical characteristics (mechanical tensile test) and operating performance (EL and I-V characteristics).

14 SOLAR ENERGY↗