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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 667 records · Page 37
All sourcesNASA NTRSDOE OSTI
DOE OSTI2024

Strong electron–phonon coupling in magic-angle twisted bilayer graphene

The unusual properties of superconductivity in magic-angle twisted bilayer graphene (MATBG) have sparked considerable research interest. However, despite the dedication of intensive experimental efforts and the proposal of several possible pairing mechanisms, the origin of its superconductivity remains elusive. Here, by utilizing angle-resolved photoemission spectroscopy with micrometre spatial resolution, we reveal flat-band replicas in superconducting MATBG, where MATBG is unaligned with its hexagonal boron nitride substrate. These replicas show uniform energy spacing, approximately 150 ± 15 meV apart, indicative of strong electron–boson coupling. Strikingly, these replicas are absent in non-superconducting twisted bilayer graphene (TBG) systems, either when MATBG is aligned to hexagonal boron nitride or when TBG deviates from the magic angle. Calculations suggest that the formation of these flat-band replicas in superconducting MATBG are attributed to the strong coupling between flat-band electrons and an optical phonon mode at the graphene K point, facilitated by intervalley scattering. These findings, although they do not necessarily put electron–phonon coupling as the main driving force for the superconductivity in MATBG, unravel the electronic structure inherent in superconducting MATBG, thereby providing crucial information for understanding the unusual electronic landscape from which its superconductivity is derived.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

De novo fabrication of multi-heteroatom-doped carbonaceous materials via an in situ doping strategy

Finding a succinct strategy to fabricate multi-heteroatom-doped nanoporous carbonaceous materials is a long-term challenge and highly desired research topic. The key to success is the rational design of easy to obtain and functionalized precursors. Herein, de novo fabrication of carbonaceous materials doped with multiple heteroatoms namely boron, nitrogen, oxygen, fluorine, and sulfur was achieved via a one-step in situ doping procedure using task-specific ionic liquids (TSILs) as precursors. Our strategy hinges on the adoption of particularly designed TSILs with structures functionalized with (1) boron source-containing anions, (2) imidazolium functionalities as the carbon and nitrogen source, (3) nitrile groups capable of trimerization during the heating process, and (4) bis(trifluoromethanesulphonyl)imide and related anions performing as the source of heteroatoms (i.e., fluorine, nitrogen, sulfur, and oxygen) and porogens. The unique structures of the as-prepared TSILs make them qualified precursors for the production of multi-heteroatom-doped carbonaceous materials through simple thermal treatment, with surface areas up to 1021 m 2 g -1 . The introduction of multiple heteroatoms provides the carbonaceous materials with efficient adsorption performance for the capture of hazardous anionic pollutants, dyes, and neutral organic molecules. This finding expands the versatility of TSILs with multi-functionalized architectures, delivering nanoporous materials with wide applications.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Synthesis and structural properties of a 2D Zn( II ) dodecahydroxy- closo -dodecaborate coordination polymer

Here, in this work, we discuss the synthesis and characterization of a 2D coordination polymer composed of a dianionic perhydroxylated boron cluster, [B 12 (OH) 12 2– ], coordinated to Zn( II )—the first example of a transition metal-coordinated [B 12 (OH) 12 ] 2– compound. This material was synthesized via cation exchange from the starting cesium salt and then subjected to rigorous characterization prior to and after thermal activation. Numerous techniques, including XRD, FTIR, SEM, TGA, and solid-state NMR revealed a 2D coordination polymer composed of sheets of Zn( II ) ions intercalated between planes of boron clusters. The as-synthesized material was then evacuated of solvent via thermal treatment, and atomic-level changes from this transformation were elucidated through a combination of 1D and 2D solid-state NMR analyses of 11 B and 1 H nuclei, suggesting the full removal of coordinated solvent molecules. Evidence also suggested that [B 12 (OH) 12 2– ] can adjust its coordination to Zn( II ) in the solid-state through hemilability of its numerous –OH ligands.

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

Characterization of injection and confinement improvement through impurity induced profile modifications on the Wendelstein 7-X stellarator

Pulsed injections of boron carbide granules into Wendelstein 7-X stellarator (W7-X) plasmas transiently increase the plasma stored energy and core ion temperatures above the reference W7-X experimental programs by up to 30%. In a series of 4 MW electron cyclotron resonance heating experiments, the PPPL Probe Mounted Powder Injector provided 50 ms bursts of 100 μm granules every 350 ms at estimated quantities ranging from approximately 1 mg/pulse to over 30 mg/pulse. For each injection, the stored energy was observed to initially drop and the radiated power transiently increased, while the radial electron density profile rose at the edge as material was assimilated. Once the injected boron carbide was fully absorbed, the density rise transitioned to the core while the stored energy increased above the previous baseline level by an amount linearly correlated with the injection quantity. During the injection, the ion temperature gradient steepened with peak core ion temperatures observed to increase from a nominal 1.7 keV to over 2.6 keV for the largest injection amounts. Enhanced performance is accompanied by a reversal of the radial electric field at ρ < 0.3, indicating that the core transport has switched to the ion root. These observations are suggestive of a change in transport and provide further evidence that externally induced profile modifications provide a possible path to enhanced W7-X performance metrics.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Charge carrier nonadiabatic dynamics in non-metal doped graphitic carbon nitride

Graphitic carbon nitride (GCN) has attracted significant attention due to its excellent performance in photocatalytic applications. Non-metal doping of GCN has been widely used to improve the efficiency of the material as a photocatalyst. Using a combination of time-domain density functional theory with nonadiabatic molecular dynamics, we study the charge carrier dynamics in oxygen and boron doped GCN systems. The reported simulations provide a detailed time-domain mechanistic description of the charge separation and recombination processes that are of fundamental importance while evaluating the photovoltaic and photocatalytic performance of the material. The appearance of smaller energy gaps due to the presence of dopant states improves the visible light absorption range of the doped systems. At the same time, the nonradiative lifetimes are shortened in the doped systems as compared to the pristine GCN. In the case of boron doped at a carbon (B–C–GCN), the charge recombination time is very long as compared to the other two doped systems owing to the smaller electron–phonon coupling strength between the valence band maximum and the trap state. The results suggest B–C–GCN as the most suitable candidate among three doped systems studied in this work for applications in photocatalysis. Finally, this work sheds light into the influence of dopants on quantum dynamics processes that govern GCN performance and, thus, guides toward building high-performance devices in photocatalysis.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Wave-supported hybrid fast-thermal p- 11 B fusion

The possibility of fusion ignition in proton–Boron 11 plasma is strongly enhanced if the energy from the fusion-produced α particles is channeled to fast protons, but in an environment in which most of the protons are thermally distributed. This hybrid of thermonuclear fusion and beam-plasma fusion offers surprisingly large advantages to either purely thermonuclear or purely beam-plasma fusion, neither of which can by themselves significantly exceed the large bremsstrahlung radiation emitted by the proton–Boron 11 plasma. Furthermore, the hybrid scheme has the potential to reduce the confinement time of the reactants that is required to achieve ignition by an order of magnitude.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Multi-microscopy characterization of threading dislocations in CVD-grown diamond films

We present site-coincident imaging of a high dislocation density boron-doped chemical vapor deposition-grown homoepitaxial (001) diamond film using electron channeling contrast imaging (ECCI), cathodoluminescence, transmission electron microscopy (TEM), and scanning secondary ion mass spectroscopy (SIMS). With growing interest in large area heteroepitaxial substrates, we show that ECCI is a promising technique to accurately evaluate dislocations in diamond films. We find the electron backscatter yield is sufficient to distinguish individual threading dislocations in ECCI despite the low atomic number of carbon, and we have generally good agreement between dislocations observed in ECCI and TEM of the same region. Importantly, relying on luminescence in the 430 nm dislocation-related A-band alone results in an underestimation of the defect density as we find only 20%–40% of the threading dislocations luminesce. Here, we further show that dislocations do not perturb the spatial uniformity of boron doping measured by SIMS, even when the dislocations are clustered with high density, and we can tentatively rule out strong segregation effects at the dislocations. Our results establish the complementary use of microscopy and microanalysis methods to rapidly characterize and understand the impact of dislocations in diamond thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Carbon-related donor–acceptor pair transition in the infrared in h-BN

Experimental studies of intentionally doped impurities for the understanding of conductivity control in hexagonal boron nitride (h-BN) ultrawide bandgap (UWBG) semiconductor are limited but are highly desired for emerging applications of h-BN. We report synthesis by hydride vapor phase epitaxy and comparison photoluminescence (PL) emission spectroscopy studies of intentionally carbon (C)-doped and undoped h-BN semi-bulk crystals. In addition to the well-known C-related emission lines observed previously, a C-impurity-related transition near 1.31 eV consisting of multiple phonon replicas has been observed in C-doped h-BN at room temperature. Phonon replicas involved in the 1.31 eV emission have been identified using polarization resolve PL spectroscopy as the transverse acoustic (TA)/longitudinal acoustic (LA) and out-of-plane optical phonon (ZO) modes at the middle point, T, between the Γ- and K-points in the first Brillouin zone. Based on the agreement between the spectral peak position of the observed dominant emission line at 1.31 eV and the calculated energy-level separation between CB donor (carbon replacing boron) and Ci acceptor (carbon interstitial), the observed IR emission line can be decisively assigned to the donor–acceptor pair (DAP) transition involving the CB donor and Ci acceptor assisted by the intervalley (Κ → Μ) scattering processes. The results reinforce the perception that C impurities form deep-level centers and provided an improved understanding of C impurities in h-BN.

Physics↗
DOE OSTI2025

Record performance in intrinsic, impurity-free lateral diamond photoconductive semiconductor switches

Photoconductive semiconductor switches (PCSSs) are fabricated on type IIa diamond substrates with varying boron and nitrogen impurity levels (<10 14 –10 16 cm –3 ). The photoresponse of lateral PCSS is reported over the incident laser wavelength range (212–240 nm), energy per pulse (5–65 μJ), and DC bias (–1.2 to +1.2 kV). The PCSS device with the lowest boron and nitrogen impurity concentration achieves the highest normalized responsivity of 9.1 × 10 –8 A-cm/W-V, peak photocurrent of 8.0 A, and on/off ratio of 2.3 × 10 11 at a DC bias of +1.2 kV with the potential for even higher currents at increased DC bias. All PCSS display fast rise times (<3 ns), limited by the laser's rise time. However, photoresponse measurements reveal that higher impurity levels reduce the photocurrent and decrease the on/off ratio. Furthermore, these results highlight the performance advantages of using low background concentration type IIa diamond substrates for PCSS fabrication and present a promising route toward advanced high-power, high-speed diamond-based switches.

42 ENGINEERING↗
DOE OSTI2025

Characterization of dangling bond defects at the crystalline Si/SiO x interface in a polycrystalline Si passivating contact solar cell at room temperature with electrically detected magnetic resonance spectroscopy

Monocrystalline silicon solar cells can achieve photoconversion efficiencies exceeding 26%; however, performance-limiting defects that trap carriers continue to be a challenge. In this work, we have characterized Si solar cells with tunneling SiO x /polycrystalline-Si (poly-Si) passivating contacts (TOPCon) on As-doped Czochralski Si wafers with electrically detected magnetic resonance (EDMR) spectroscopy. We fabricated 2 × 20 mm 2 TOPCon-like mini solar cells with edge passivation alongside larger 4 cm 2 sister cells and obtained similar device characteristics. We performed EDMR spectroscopy at 300 K on two minicells with different degrees of surface passivation based on the recombination parameter, J o , values of 40 and 310 fA/cm2. We optimized the resolution and the signal-to-noise ratio of the EDMR response of the minicells by varying the forward bias voltage and the magnetic field modulation amplitude. We detect two distinct signals with EDMR spectroscopy, an axial-like signal at g = 2.009, 2.0087, and 2.0015, and an isotropic signal at g = 2.0024, which we attribute to Si dangling bonds (P b0 and P b centers) and boron–oxygen related defects, respectively, at or near the c-Si/SiO x interface. The EDMR signals were lower for the cell with a lower value of J o , while the ratio of the two defect populations was very similar. The EDMR signal increases with forward bias but drops to zero at bias voltages >0.5 V, consistent with interface defects within or near the boron-doped emitter depletion region. Our study demonstrates a method to fabricate minicells that can be characterized with EDMR spectroscopy to detect industrially relevant defects in TOPCon cells.

14 SOLAR ENERGY↗
DOE OSTI2025

Computational Optimization of 133m Xe Production via Neutron Irradiation in a TRIGA Reactor

Here, the Comprehensive Nuclear-Test-Ban Treaty bans all nuclear tests worldwide. As part of treaty compliance, the concentration of radioactive nuclides in the atmosphere is monitored to detect nuclear weapons tests. Radioactive noble gas fission products, specifically radioxenon, can vent into the atmosphere after a nuclear weapons test, even if the test is well contained underground or underwater. Radioxenon thus serves as a signal for nuclear weapons tests. All atmospheric monitoring systems require samples of radioxenon isotopes for detector calibration, quality control, and certification. Here, we present a novel, improved method for creating samples of 133m Xe via neutron irradiation of 132 Xe in the Washington State University TRIGA reactor. 132 Xe neutron absorption results in either 133 Xe or 133m Xe—thermal neutron absorption results in 133m Xe 12% of the time, while fast neutron absorption (above ~1 MeV) results in 133m Xe ~50% of the time. To optimize the production of 133m Xe via neutron absorption in 132 Xe in the thermal TRIGA reactor, spectral tuning using an irradiation chamber is required to maximize the fraction of fast neutrons being absorbed and minimize the number of thermal neutrons interacting with the 132 Xe. We used MCNP to tally 132 Xe absorptions with the isotopic tally function, flux tallies and neutron attenuation to estimate the number of neutrons reaching the 132 Xe through the irradiation chamber, and the adjoint importance function to improve the source strength estimate. Additionally, we performed a heat transfer analysis for safety considerations. It was determined that the use of a 96% enriched 10 B boron carbide chamber, placed next to the fuel elements in reactor position D8, increases the 133m Xe/ 133 Xe activity ratio from a baseline value of 0.3 to 1.0, a 233% increase. Additionally, it was determined that the alpha heating produced in the boron does not become an unmanageable problem in the Washington State University reactor.

37 - INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL C↗
DOE OSTI2026

Evaluation of Radiation Transport Through a Nuclear-Grade Sandwich Composite

The development and deployment of microreactors are often synonymous with their transportability; however, designing a shield which is appropriate for both transportation and operations is challenging. A recent approach is the use of composite style shield which combines the reactor pressure vessel and biological shielding into a single unit to enhance the shields effectiveness without degrading the structural properties. To assess the viability of a nuclear grade sandwich composite (NGSC), and understanding of how radiation transports through the shield needs to be understood to select the appropriate materials. This work examines a two-layered NGSC of varying thicknesses with two primary shielding materials (tungsten-tetraboride cermet and boron carbide). To assess the NGSC, quantities of interest including neutron attenuation, photon attenuation, energy deposition, displacements per atom, helium generation, and dose are examined. Altogether, it is found that a combination of both tungsten-tetraboride and boron carbide are necessary to act as an appropriate shield, where the order in which these materials are place in the composite are important to their effectiveness.

22 - GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

First principles band structure of interacting phosphorus and boron/aluminum δ -doped layers in silicon

Silicon can be heavily doped with phosphorus in a single atomic layer (a δ layer), significantly altering the electronic structure of the conduction bands within the material. Recent progress has also made it possible to further dope silicon with acceptor-based δ layers using either boron or aluminum, making it feasible to create devices with interacting δ layers with opposite polarity. Using density functional theory, we calculate the electronic structure of a phosphorus-based δ layer interacting with a boron or aluminum δ layer, varying the distances between the δ layers. At separations 1 nm and smaller, the dopant potentials overlap and largely cancel each other out, leading to an electronic structure closely mimicking intrinsic silicon. At separations greater than 1 nm, the two δ layers behave independently of one another, with an equivalent electronic structure to a p–n diode with an intrinsic layer taking the place of the depletion region. One mechanism for charge transfer between δ layers at larger distances could be tunneling, where we see a tunneling probability exceeding what would be seen for a standard silicon 1.1 eV triangular barrier, indicating that the interaction between delta layers may enhance tunneling compared to a traditional junction.

delta layers↗
DOE OSTI2023

Measuring stopping power in warm dense matter plasmas at OMEGA

A platform has been developed for accurately measuring the stopping power of high energy protons through warm dense matter (WDM) plasmas characterized by x-ray Thomson scattering. Here, in this work, stopping power measurements were successfully made through both WDM Beryllium and Boron plasmas. In the Boron experiments, an increase in stopping was observed over their cold target counter-parts. This increase in stopping was shown to agree well with models that account for the partial ionization of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

WEST full tungsten operation with an ITER grade divertor

The mission of WEST (tungsten-W Environment in Steady-state Tokamak) is to explore long pulse operation in a full tungsten (W) environment for preparing next-step fusion devices (ITER and DEMO) with a focus on testing the ITER actively cooled W divertor in tokamak conditions. Following the successful completion of phase 1 (2016-2021), phase 2 started in December 2022 with the lower divertor made entirely of actively cooled ITER-grade tungsten mono-blocks. A boronization prior the first plasma attempt allowed for a smooth startup with the new divertor. Despite the reduced operating window due to tungsten, rapid progress has been made in long pulse operation, resulting in discharges with a pulse length of 100 s and an injected energy of around 300 MJ per discharge. Plasma startup studies were carried out with equatorial boron nitride limiters to compare them with tungsten limiters, while Ion Cyclotron Resonance Heating assisted startup was attempted. High fluence operation in attached regime, which was the main thrust of the first campaigns, already showed the progressive build up of deposits and appearance of dust, impacting the plasma operation as the plasma fluence increased. In total, the cumulated injected energy during the first campaigns reached 43 GJ and the cumulated plasma time exceeded 5 h. Demonstration of controlled X-Point Radiator regime is also reported, opening a promising route for investigating plasma exhaust and plasma-wall interaction issues in more detached regime. This paper summarises the lessons learned from the manufacturing and the first operation of the ITER-grade divertor, describing the progress achieved in optimising operation in a full W environment with a focus on long pulse operation and plasma wall interaction.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Deuterium plasma induced preferential erosion in ultra-high temperature ceramics TiB 2 and ZrB 2 *

Abstract Steady-state deuterium plasma exposures were performed on ultra-high temperature ceramics titanium diboride (TiB 2 ) and zirconium diboride (ZrB 2 ) using the PISCES-RF linear plasma device (LPD) as early screening for first wall, plasma-facing applications. Deuterium plasma exposures were performed using 40 eV ion energies at 240, 525, and 800 °C sample temperatures and 90 eV ion energies at 240 °C sample temperatures to analyze TiB 2 and ZrB 2 surface morphology and chemistry evolution behavior. Post-plasma exposure chemistry characterization of the near surface ( < 50 nm) region of the samples all show transition metal enrichment, indicating boron preferential erosion. Transition metal to boron fractions vary with plasma exposure temperature under the 40 eV ion energy; metal enrichment is maximized at 800 °C and then minimized at 525 °C. SEM micrographs of all plasma exposed sample surfaces show no significant or noticeable plasma induced damage from cracking or blistering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Experimental observation and integrated modelling of proton-beryllium fusion in He and D plasmas at JET

Validated integrated modelling of JET ITER-like wall experiments in which fusion performance is driven by reactions between fast ions and intrinsically present metal wall impurities is presented. A steady-state L-mode plasma with dominant proton-beryllium fusion and neutron yields of up to ≈ 6·10 13 s -1 is developed in He and D, via radiofrequency heating of a H minority. The fusion drive is unambiguously confirmed by the neutral particle analyser, fast ion loss detector, and γ-ray diagnostics. Experiments are analysed via an integrated modelling framework, developed to model the two-stage proton beryllium-fusion chain and produce high-fidelity fusion product source terms. The modelling chain comprises TRANSP and JETTO for plasma core modelling, LOCUST for full orbit product tracking and collisional slowing-down, DRESS to resolve two- and three-body fusion kinematics, and MCNP for neutron transport calculations. Modelling shows that the primary 9 Be(p,n) 9 B reaction is the dominant neutron emitter at naturally present concentrations of beryllium in these experiments. The yield contribution of secondary reactions between fusion products and beryllium, 9 Be(d,n) 10 B and 9 Be(α,n) 12 C, is found to be negligible. The proton-deuteron knock-on effect in D plasmas is modelled, which is calculated to contribute ≈ 25% to the total neutron yield. For both He and D discharges the total computed neutron rates match fission chamber (FC) measurements within the combined experimental and computational uncertainty, with an average discrepancy of ≈ ± 20%. Realistic proton-beryllium neutron sources are propagated through JET’s MCNP neutron transport model which shows that 235 U FCs’ response is sensitive to p–Be source changes, with up to ≈ 10% variation compared to a D–D neutron source. We show that the high-energy tail of the fast proton minority can be studied with multi-foil neutron activation. The framework is also applied to the study of interactions between fast protons and boron impurities, of relevance to ITER. We calculate that in JET conditions a significant alpha source with DT-like energies could be generated through 11 B(p, α)2α fusion, and detected via γ-emission in secondary interactions between fast alphas and boron. The work represents an important step towards validating predictive integrated modelling capabilities for non-standard fusion reactions.

JET↗
DOE OSTI2023

Towards robust PICOSEC Micromegas precise timing detectors

The PICOSEC Micromegas (MM) detector is a precise timing gaseous detector consisting of a Cherenkov radiator combined with a photocathode and a MM amplifying structure. A 100-channel PICOSEC MM prototype with 10 × 10 cm 2 active area equipped with a Cesium Iodide (CsI) photocathode demonstrated a time resolution below σ = 18 ps. The objective of this work is to improve the PICOSEC MM detector robustness aspects, i.e. integration of resistive MM and carbon-based photocathodes, while maintaining good time resolution. The PICOSEC MM prototypes have been tested in laboratory conditions and successfully characterised with 150 GeV/c muon beams at the CERN SPS H4 beam line. The excellent timing performance below σ = 20 ps for an individual pad obtained with the 10 × 10 cm 2 area resistive PICOSEC MM of 20 MΩ/$\square$ showed no significant time resolution degradation as a result of adding a resistive layer. A single-pad prototype equipped with a 12 nm thick Boron Carbide (B 4 C) photocathode presented a time resolution below σ = 35 ps, opening up new possibilities for detectors with robust photocathodes. The results made the concept more suitable for the experiments in need of robust detectors with good time resolution.

RETHGEM↗