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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Monolithically-integrated AC switch having JBSFETs therein with commonly-connected drain and cathode electrodes

A monolithically-integrated AC switch includes a semiconductor substrate having first and second insulated-gate field effect transistors therein, which contain first and second spaced-apart and independently-controllable source terminals extending adjacent a first surface of the semiconductor substrate, yet share a common drain electrode extending adjacent a second surface of the semiconductor substrate. According to some of these embodiments of the invention, the first and second insulated-gate field effect transistors include respective first and second independently-controllable gate electrodes, which extend adjacent the first surface. The first and second insulated-gate field effect transistors may be configured as first and second vertical power MOSFETs, respectively. The semiconductor substrate may also include at least one edge termination region therein, which extends between the first and second vertical power MOSFETs.

42 ENGINEERING↗
DOE OSTI2023

Enhanced Exciton-to-Trion Conversion by Proton Irradiation of Atomically Thin WS 2

Defect engineering of van der Waals semiconductors has been demonstrated as an effective approach to manipulate the structural and functional characteristics toward dynamic device controls, yet correlations between physical properties with defect evolution remain underexplored. Here, using proton irradiation, we observe an enhanced exciton-to-trion conversion of the atomically thin WS 2 . The altered excitonic states are closely correlated with nanopore induced atomic displacement, W nanoclusters, and zigzag edge terminations, verified by scanning transmission electron microscopy, photoluminescence, and Raman spectroscopy. Density functional theory calculation suggests that nanopores facilitate formation of in-gap states that act as sinks for free electrons to couple with excitons. The ion energy loss simulation predicts a dominating electron ionization effect upon proton irradiation, providing further evidence on band perturbations and nanopore formation without destroying the overall crystallinity. This study provides a route in tuning the excitonic properties of van der Waals semiconductors using an irradiation-based defect engineering approach.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2022

Revisiting the link between magnetic properties and chemisorption at graphene nanoribbon zigzag edge

Graphene has received tremendous interest in both chemical and physical fields. Among different edges of the graphene system, the zigzag edge terminated graphene nanoribbons (ZGNRs) show unique magnetic properties in the antiferromagnetic (AFM) state. However, to date, the understanding of ZGNR chemical properties is mainly based on the partial radical concept, and in previous studies, the energy differences between the ferromagnetic (FM) and AFM states are smaller than experimental evidence. Here, we report that the strongly constrained and appropriately normed functional gives a significantly larger energy difference, which matches the experimental observation. Furthermore, utilizing the energetics in the large difference case, we propose a conceptual supplement to the previous partial radical concept: the overall stabilization of the AFM state compared to the nonmagnetic (NM) state consists of two parts that affect the adsorption energy conversely. The NM-FM energy differences will strengthen the adsorption, being in line with the previous partial radical concept. The FM-AFM energy differences will instead weaken the adsorption. Here, we perform calculations of H, OH, and LiS radical adsorption energies on ZGNRs to show that this weakening effect is numerically non-negligible: at least a ~0.2 eV difference in the adsorption energies is found. We expect that this refinement of the partial radical concept can provide a more comprehensive understanding of the chemical properties of ZGNRs. The differences in adsorption energies for the H, OH, and LiS radicals found here lead to significant changes in the predicted reactivity of the ZGNR models.

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

Distributed polarization-doped GaN p–n diodes with near-unity ideality factor and avalanche breakdown voltage of 1.25 kV

Polarization-induced (Pi) distributed or bulk doping in GaN, with a zero dopant ionization energy, can reduce temperature or frequency dispersions in impurity-doped p–n junctions caused by the deep-acceptor-nature of Mg, thus offering GaN power devices promising prospects. Before comprehensively assessing the benefits of Pi-doping, ideal junction behaviors and high-voltage capabilities should be confirmed. In this work, we demonstrate near-ideal forward and reverse I–V characteristics in Pi-doped GaN power p–n diodes, which incorporates linearly graded, coherently strained AlGaN layers. Hall measurements show a net increase in the hole concentration of 8.9 × 1016 cm−3 in the p-layer as a result of the polarization charge. In the Pi-doped n-layer, a record-low electron concentration of 2.5 × 1016 cm−3 is realized due to the gradual grading of Al0-0.72GaN over 1 μm. The Pi-doped p–n diodes have an ideality factor as low as 1.1 and a 0.10 V higher turn-on voltage than the impurity-doped p–n diodes due to the increase in the bandgap at the junction edge. A differential specific on-resistance of 0.1 mΩ cm2 is extracted from the Pi-doped p–n diodes, similar with the impurity-doped counterpart. The Pi-doped diodes show an avalanche breakdown voltage of ∼1.25 kV, indicating a high reverse blocking capability even without an ideal edge-termination. This work confirms that distributed Pi-doping can be incorporated in high-voltage GaN power devices to increase hole concentrations while maintaining excellent junction properties.

Nomoto, Kazuki↗
DOE OSTI2023

Precursor-mediated in situ growth of hierarchical N-doped graphene nanofibers confining nickel single atoms for CO 2 electroreduction

Despite the various strategies for achieving metal–nitrogen–carbon (M–N–C) single-atom catalysts (SACs) with different microenvironments for electrochemical carbon dioxide reduction reaction (CO 2 RR), the synthesis–structure–performance correlation remains elusive due to the lack of well-controlled synthetic approaches. Here, we employed Ni nanoparticles as starting materials for the direct synthesis of nickel (Ni) SACs in one spot through harvesting the interaction between metallic Ni and N atoms in the precursor during the chemical vapor deposition growth of hierarchical N-doped graphene fibers. By combining with first-principle calculations, we found that the Ni-N configuration is closely correlated to the N contents in the precursor, in which the acetonitrile with a high N/C ratio favors the formation of Ni-N 3 , while the pyridine with a low N/C ratio is more likely to promote the evolution of Ni-N 2 . Moreover, we revealed that the presence of N favors the formation of H-terminated edge of sp 2 carbon and consequently leads to the formation of graphene fibers consisting of vertically stacked graphene flakes, instead of the traditional growth of carbon nanotubes on Ni nanoparticles. With a high capability in balancing the *COOH formation and *CO desorption, the as-prepared hierarchical N-doped graphene nanofibers with Ni-N 3 sites exhibit a superior CO2RR performance compared to that with Ni-N 2 and Ni-N 4 ones.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

1 kV GaN-on-Si Quasi-Vertical Schottky Rectifier

Here, this work demonstrates quasi-vertical GaN Schottky barrier diodes (SBDs) on 6-inch Si substrate with a breakdown voltage (BV) over 1 kV, the highest BV reported in vertical GaN-on-Si SBDs to date. The deep mesa inherently in quasi-vertical devices is leveraged to form a self-aligned edge termination, and the mesa sidewall is covered by the p-type nickel oxide (NiO) as a reduced surface field (RESURF) structure. This novel termination enables a parallel-plane junction electric field of 2.8 MV/cm. The device also shows low turn-on voltage of 0.5 V, and low specific on-resistance of 1.1 mΩ∙ cm 2 . Moreover, the device exhibits excellent overvoltage robustness under the continuous 800 V stress in the unclamped inductive switching test. These results show the good promise of the low-cost vertical GaN-on-Si power diodes.

42 ENGINEERING↗
DOE OSTI2022

Tunable plasmon-enhanced second-order optical nonlinearity in transition-metal dichalcogenide nanotriangles (Final Report for SC0008712)

The control of light-matter interaction at the nanoscale is a grand challenge that cuts across modern photonics, plasmonics, and optoelectronics. The development of simulation tools for predictive modeling of nanostructured light emitters and absorbers is critical to successfully tackling this grand challenge. Existing state-of-the-art tools are not suitable for the following reasons: a) Phenomenological models of materials, commonly employed in the full-wave solutions to Maxwell’s equations, are fit to experimental data for bulk materials and fall short when attempting to analyze nanostructures. b) Nonlinearities in optical response can arise solely from nanostructuring, and require time-dependent quantum electronic transport techniques to capture. c) Emergent materials with exotic and tunable physical properties are increasingly used, but their properties are very sensitive to the substrate, impurities, and edge termination, and require an accurate description of interband and intraband processes, as well as dissipation. d) Microscopic modeling of electronic transport usually employs simplified electrodynamics, and realistic models that couple full electronic transport with full-wave electrodynamics are needed for accurate photonics simulations. The objective of this project was to computational tools that will overcome the limitations faced by current modeling tools and provide an unprecedented level of accuracy for predictive modeling of light-matter interaction at the nanoscale.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Adroit Materials Final Scientific/Technical Report kV-class GaN-based Junction Barrier Schottky diodes using ion implantation

The primary aim of this research was to develop GaN-based Junction Barrier Schottky (JBS) diodes using an innovative ion implantation process previously established in ARPA-E funded projects. The central focus of our proposed technology revolves around selective area p-type doping, accomplished through the implantation of Mg ions. This approach builds upon our successes in the ARPA-E PNDIODES program, advancing towards commercial device integration. Selective area p-doping plays a pivotal role in realizing the next generation of GaN-based power devices, capable of significantly reducing the carbon footprint in the United States by several million tons. While ion implantation is a well-established technique for achieving selective area doping in SiC and Si materials, its feasibility in GaN had not been demonstrated until now. To fabricate high voltage GaN JBS diodes, we initially created thick n-type drift layers with high carrier concentrations ranging from 5×1015 cm-3 to 2×1016 cm-3 and very high mobilities. Subsequently, Mg ions were selectively implanted to form p-type islands within the n-type drift layer. To reduce electric field crowding at the edge of the diode and to achieve high breakdown voltage, junction edge termination (JTE) and floating field rings (FFRs) were formed using Mg implantation. A high temperature, high-pressure post-implantation annealing process was carried out to activate the implanted Mg ions. As a result, we were able to demonstrate GaN JBS diodes with a breakdown voltage of 915 V and an on-resistance of 0.6 mΩ·cm2. These diodes exhibited a forward bias current density of 1 kA/cm2 at 1.5 V. Subsequently, we achieved GaN JBS diodes with a remarkable breakdown voltage of 1900 V and an on-resistance of 1.9 mΩ·cm2, capable of sustaining a forward bias current density of 0.5 kA/cm2 at 1.5 V. Importantly, the ON and OFF state performance of these GaN JBS diodes surpassed that of Si and SiC-based power diodes reported in existing literature. Lastly, we successfully grew 60 μm thick GaN:Si layers using HVPE with a carrier concentration of approximately 3 to 5×1015 cm-3. Based on simulation and empirical data these devices represent 5 kV GaN JBS power diodes, leveraging the developed processes in this project.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Electric Drive Technologies Consortium (EDTC)/ Cost competitive, high-Performance, highly Reliable (CPR) Power Devices on 4H-SiC (Final Report)

4H-Silicon carbide (4H-SiC) is a wide bandgap semiconductor that offers superior material properties over silicon, including higher critical electric field, thermal conductivity, and electron saturation velocity. These advantages make 4H-SiC highly attractive for high-voltage, high-efficiency power electronics. However, realizing the full potential of SiC requires device technologies that are not only high-performing but also manufacturable and reliable under real-world operating conditions. This report summarizes the outcomes of a five-year R&D effort funded by the U.S. Department of Energy (DOE) under the Electric Drive Technologies Consortium (EDTC), focused on developing cost-competitive, high-performance, and highly reliable (CPR) power devices on 4H-SiC substrates. The program targeted scalable and manufacturable 1.2 kV-class SiC MOSFETs optimized for next-generation electric vehicles, renewable energy systems, and industrial power conversion. The project delivered transformative advancements in SiC power device performance and ruggedness. Particularly, Specific on-resistance (R on,sp ) was reduced by up to 37%, from ~4.0 m$\Omega \cdot$cm 2 in earlier designs to an industry-leading 2.40 m$\Omega \cdot$cm 2 , driven by optimized doping, refined JFET widths, and layout engineering. Breakdown voltages (BV) exceeded 1600 V, marking improvement over legacy baselines, and demonstrating the robustness of newly implemented junction profiles and edge terminations. Short-circuit withstand time (SCWT) saw a remarkable 4$\times$ increase, from ~2 $\mu$s to over 8 $\mu$s, achieved through the successful deployment of deep P-well structures (~1.8–2.0 $\mu$m) via channeling implantation. This innovative process breakthrough enabled precise junction formation without MeV-class implantation tools, reduced leakage under high field stress, and allowed even the shortest-channel devices (down to 0.3 $\mu$m) to achieve both high BV and excellent ruggedness—breaking the traditional trade-off between conduction efficiency and blocking capability. Several novel architectures pushed the performance envelope further. JBSFETs—featuring embedded Schottky portions—eliminated bipolar degradation and drastically reduced third-quadrant leakage, while Ladder MOSFETs introduced a clever orthogonal conduction path that achieved a 15.4% reduction in R on,sp over standard linear designs. Switching performance reached new benchmarks: short-channel devices showed a 31% reduction in total switching energy compared to 0.5 $\mu$m counterparts, while maintaining manageable gate drive requirements. Layout-optimized structures not only improved transconductance but also accelerated switching transitions, pointing to real-world benefits in converter-level efficiency. The devices also passed rigorous reliability validation. Stress-tested across TDDB, HTGB, HTRB, HVP, and burn-in, the devices screened under 30 V/10 hr and 43 V/1 s protocols consistently exhibited tighter lifetime distributions and long-term oxide robustness. These screening techniques proved effective in identifying latent defects and ensuring deployment-grade reliability. Meanwhile, advanced 3D TCAD simulations revealed and resolved electric field hotspots—particularly in HEXFET corners—where fields exceeding 4.8 MV/cm were mitigated through geometry-aware layout corrections. Overall, the results of this project demonstrate a manufacturable and scalable SiC power device platform that addresses key DOE performance targets for efficient, robust, and reliable 1.2kV 4H-SiC Power Devices. The developed technologies represent a meaningful step forward in the commercial readiness of high-voltage SiC solutions and provide a strong foundation for continued advancement in wide bandgap power electronics.

42 ENGINEERING↗
DOE OSTI2026

Fast Growth of Ga2O3 on Highly Offcut (100)-Oriented Substrates

Beta-Ga2O3 has emerged as a leading candidate for next-generation power electronics, radio frequency (RF) switches, and extreme environment electronics due to a wide band gap (4.6 - 4.9 eV), high dopability (approximately 40 meV activation energy for an isolated silicon donor), and melt growth characteristics resulting in commercially available 4-inch substrates and commercial demonstrations of 6-inch substrates by multiple techniques. The (100) surface of Ga2O3 is highly desirable from a device and epitaxy standpoint - bulk growth of (100) material is more scalable than (010), the surface is nearly lattice-matched to p-type partner NiO, and Al2O3 incorporates at higher concentrations without phase separation. More importantly, the impact ionization coefficients along the [100] direction are low, leading to the highest possible critical fields. This is advantageous compared to the current state of the art, (001), due to reduced surface defects and increased possible breakdown voltage. However, the epitaxial growth rate on (100) surfaces is less than 10% of other faces due to weak bonding and favorable desorption, and on-axis (100) growth easily forms twin domains. Recent demonstrations have shown growth rate improvements from 0.4 nm/min to 1.5 nm/min by growing on (100) wafers that are offcut 6 degrees in the -c direction. These films show step-flow growth from (20-1) step-edges and high electron mobility due to suppressed twins. Despite these exciting results, offcuts greater than 6 degrees have not been explored due to the waste associated with grinding and polishing large offcuts. In this talk we will discuss the molecular beam epitaxy (MBE) growth and properties of Beta-Ga2O3 grown on (100) substrates offcut in the -c direction up to 13.4 degrees. These large offcuts are enabled by edge-fed film-defined growth (EFG) where the offcut is grown into the surface by pulling the crystal through the EFG die with the seed crystal rotated by the desired offcut angle. We will demonstrate that 13.4 degrees offcut substrates still exhibit a terraced (100) surface, and that a >10x increase (>5 nm/min) in growth rate is achieved. As previously reported on lower offcuts, we observe reversal of substrate twin domains around the (001) direction at the substrate-epilayer interface. We will discuss electrical properties including record-low (by MBE) unintentional doping densities of < 5E15 cm-3 and critical breakdown field in Schottky barrier diodes comparable with state-of-the-art (001) Ga2O3 without edge termination.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Computational Fermi Level Engineering and Doping-Type Conversion of Ga2O3 Via Three-Step Processing

Ga2O3 is being actively explored for power electronics, deep-ultraviolet optoelectronics, and other applications due to its ultra-wide bandgap and low projected fabrication cost of large-size and high-quality crystals. N-type doping of Ga2O3 can be achieved and tuned, but p-type doping faces fundamental obstacles due to deep character of acceptor levels and polaron transport of resulting holes. However, successful engineering of Ga2O3 based devices requires critical control of doping density, Fermi level position, and free carrier concentration, providing opportunities for predictive process simulation. We use first-principles defect theory and defect equilibrium calculations to simulate a 3-step growth-annealing-quench protocol for hydrogen assisted Mg doping in Ga2O3, taking into account the hydrogen-oxygen-water gas phase equilibrium. We predict type conversion to a net p-type regime following O-rich annealing after growth under reducing conditions in the presence of H2. This process is similar to the Mg acceptor activation by H removal in GaN. We show that there is an optimal temperature that maximizes the net acceptor density during the equilibrium annealing step for a given Mg doping level. Quenching of non-equilibrium annealed samples then results in a Fermi level EF below mid-gap down to about EV +1.5 eV, creating a significant number of uncompensated neutral MgGa0 acceptors. The resulting free hole concentration in quenched samples is very low (109 – 1012 cm-3) due to deep energy level of these Mg acceptors, but this type converted Ga2O3 material can create a significant built-in field in a p-n junction with an adjoining n-type material. Additionally, the electron concentration is greatly suppressed in such acceptor-doped Ga2O3, which could enable the use as a current blocking layer to fabricate normally-off (enhancement-mode) vertical Ga2O3 based metal-oxide-semiconductor field effect transistors (MOSFETs), and as a guard ring for edge termination in MOSFETs and Schottky barrier diodes (SBDs) with increased breakdown voltage.

CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSICS,M↗
DOE OSTI2022

Fragmentation of the edge of a terminated Cu nanolayer within a Nb matrix upon annealing

Here, we investigate the evolution of the tip of a terminated Cu nano-layer embedded within a Nb matrix upon annealing at 800°C. The tip of the terminated Cu layer fragments progressively into a series of single-crystal Cu particles upon continued annealing. This finding shows that layer fragmentation is the second step, after layer pinchoff, in the thermal coarsening of nanolayered metal composites. Comparison to prior phase-field modeling permits us to infer that the mobility at 800°C of Cu-Nb, as modeled by the Cahn-Hillard equation, is M(c)=(M 0 = 7.3 ± 3.6 nm 5 / s • eV) |1 – c 2 |, where the order parameter, c, is 1 for Cu and -1 for Nb.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Mapping 1D Confined Electromagnetic Edge States in 2D Monolayer Semiconducting MoS 2 Using 4D-STEM

Here, four-dimensional (4D) scanning transmission electron microscopy is used to study the electric fields at the edges of 2D semiconducting monolayer MoS2. Sub-nanometer 1D features in the 2D electric field maps are observed at the outermost region along zigzag edges and also along nanowire MoS-terminated MoS 2 edges. Atomic-scale oscillations are detected in the magnitude of the 1D electromagnetic edge state, with spatial variations that depend on the specific periodic edge reconstructions. Electric field reconstructions, along with integrated differential phase contrast reconstructions, reveal the presence of low Z number atoms terminating many of the uniform edges, which are difficult to detect by annular dark field scanning transmission electron microscopy due to its limited dynamic range. Density functional theory calculations support the formation of periodic 1D edge states and also show that enhancement of the electric field magnitude can occur for some edge terminations. The experimentally observed electric fields at the edges are attributed to the absence of an opposing electric field from a nearest neighbor atom when the electron beam propagates through the 2D monolayer and interacts. These results show the potential of 4D-STEM to map the atomic scale structure and fluctuations of electric fields around edge atoms with different bonding states than bulk atoms in 2D materials, beyond conventional imaging.

2D materials↗
DOE OSTI2022

β -Ga 2 O 3 Schottky barrier diodes with 4.1 MV/cm field strength by deep plasma etching field-termination Available

In this work, we demonstrate a deep mesa etch design for efficient edge field termination in β-Ga 2 O 3 Schottky barrier diodes (SBDs). The proposed design enabled parallel plate fields higher than 4.1 MV/cm with negligible change to the device ON characteristics. The effect of BCl 3 /Cl 2 -based dry etch on (100) and (010) etched vertical sidewalls is also analyzed. A remarkable anisotropy in depletion was observed for etch along (100) and (010) sidewalls. In conclusion, this work provides insight into the impact of etching on n-type Ga 2 O 3 and shows a promising method to realize efficient field termination for high breakdown field strength SBDs.

42 ENGINEERING↗
DOE OSTI2024

Surface termination effect of $\mathrm{SrTiO_3}$ substrate on ultrathin $\mathrm{SrRuO_3}$

A uniform 1-unit-cell-high step on the SrTiO 3 (STO) substrate is a prerequisite for growing high-quality epitaxial oxide heterostructures. However, it is inevitable that defects induced by mixed substrate-surface termination exist at the interface, significantly impacting the properties of ultrathin films. Here we microscopically identify the origin for the lateral inhomogeneity in the growth of ultrathin SrRuO3 films due to the step effects of SrTiO 3 (001). By using atomic-resolved scanning transmission electron microscopy, we observe two distinct types of step propagation along the [011] and [$0\bar{1}1$] crystallographic direction in SrTiO 3 -SrRuO 3 heterostructures, respectively. In particular, the type-II [$0\bar{1}1$] step results in lateral discontinuity of monolayer SrRuO 3 and originates from the SrO-terminated regions along the TiO 2 -terminated step edge. Such an induced lateral discontinuity should be responsible for the distinct electronic and magnetic properties of monolayer SrRuO 3 . Our findings underscore the critical importance of using single-termination STO substrate to achieve high-quality termination-selective films and to unveil the intrinsic properties of epitaxial films in the atomic limit.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Magnetic multilayer edges in Bernal-stacked hexagonal boron nitride

Single-layer h-BN is known to have edges with unique magnetism; however, in the commonly fabricated multilayer AA'-h-BN, edge relaxations occur that create interlayer bonds and eliminate the unpaired electrons at the edge. Recently, a robust method of growing the unconventional Bernal-stacked h-BN (AB-h-BN) has been reported. Here, we use theoretical approaches to investigate the nitrogen-terminated zigzag edges in AB-h-BN that can be formed in a controlled fashion using a high-energy electron beam. We find that these "open"edges remain intact in bilayer and multilayer AB-h-BN, enabling researchers potentially to investigate these edge states experimentally. We also investigate the thermodynamics of the spin configurations at the edge by constructing a lattice model that is based on parameters extracted from a set of first-principles calculations. We find that the edge spins in neighboring layers interact very weakly, resulting in a sequence of independent spin chains in multilayer samples. By solving this model using Monte Carlo simulations, we can determine nm-scale correlation lengths at liquid-N 2 temperatures and lower. At low temperatures, these edges may be utilized in magnetoresistance and spintronics applications.

1-dimensional spin chains↗
DOE OSTI2026

Variability of MHD instabilities in benign termination of high-current runaway electron beams in the JET and DIII-D tokamaks

Benign termination, in which magnetohydrodynamic (MHD) instabilities deconfine runaway electrons (REs) following hydrogenic injections, is a promising strategy for mitigating dangerous RE loads after disruptions. Recent experiments on the Joint European Torus (JET) have explored this scenario at higher pre-disruptive plasma currents than are achievable on other devices, revealing challenges in obtaining benign terminations at I p ≥2.5 MA. This work analyzes the evolution of these high-current RE beams and their terminating MHD events using fast magnetic sensor measurements and EFIT equilibrium reconstructions for approximately 40 JET and 20 DIII-D tokamak discharges. On JET, unsuccessful non-benign terminations occur at low edge safety factor (q edge ≈ 2), and are preceded by intermittent, non-terminating MHD events at higher rational qedge. Trends in the internal inductance I i indicate more peaked RE current profiles in the high-I p non-benign population, which may hinder successful recombination through re-ionization of the companion plasma. In contrast, benign terminations on JET typically occur at higher q edge ≥3 and exhibit less peaked RE current profiles. DIII-D displays a broader range of terminating edge safety factors, again correlated with the measured values. Across both tokamaks, the RE current peaking is therefore found to determine which MHD instability boundary is encountered, a result confirmed by linear resistive MHD modeling with the CASTOR3D code. Measured growth rates are similar for benign and non-benign cases, indicating that ideal MHD timescales at low density after hydrogenic injection do not alone explain efficient RE deconfinement. Instead, non-benign cases are most readily characterized by their comparably lower overall MHD perturbation amplitudes δB. These observations suggest that the interplay between ideal and resistive dynamics governs the termination process, with implications for extrapolating benign RE termination to high-I p reactor scenarios.

MHD instabilities↗
DOE OSTI2021

Tuning Electronic Properties of 2D Materials Using Metal Adsorbates: Cu at WTe 2 Edges

Two-dimensional materials exhibit properties promising for novel applications. Topologically protected states at their edges can be harnessed for use in quantum devices. We use ab initio simulations to examine properties of edges in 1T'-WTe 2 monolayers, known to exhibit topological order, and their interactions with Cu atoms. Comparison of (010)-oriented edges that have the same composition but different terminations shows that, as the number of Cu atoms increases, their thermodynamically-preferred arrangement depends on the details of the edge structure. Cu atoms aggregate into a cluster at the most stable edge; while the cluster is non-magnetic, it spin-polarizes the W atoms along the edge, which removes the topological protection. At the metastable edge, Cu atoms form a chain incorporated into the WTe 2 lattice; the topological state is preserved in spite of the dramatic edge restructuring. This suggests that exploiting interactions of metal species with metastable edge terminations can provide a path towards non-invasive interfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗