Search NASA⌕ Search

SEARCH · Search NASA

Results for “Columbia Power Technologies”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 55 records · Page 3
All sourcesNASA NTRSDOE OSTI
DOE OSTI2026

Impact of Resonant Magnetic Perturbations on the Toroidal Location of the Runaway Electron Final Loss Strike Point

It is demonstrated that the peak toroidal impact phase of the post-disruption runaway electrons (REs) can be varied shot-to-shot by means of applied static non-axisymmetric (3D) magnetic fields, or resonant magnetic perturbations (RMPs). In the experiments, high-current (500 kA), purged RE plateaus (i.e. low impurity post-disruption plasmas with current carried completely by REs) were terminated on the DIII-D tokamak center post (CP). The global toroidal impact peak of the REs appears to be dominantly set by the toroidal phase of a wall-locked tearing mode, typically (m/n) = (2/1), but sometimes (m/n) = (3/2). In the absence of external RMP, the locked mode reliably locks close to a preferred toroidal phase Φ ≃ 75◦ probably set by intrinsic error fields. With applied RMP, the locked mode and RE impact phase is pushed to a new location. When the tearing mode is (m/n) = (2/1), the phase is well controlled and tracks the applied RMP phase, but in the case of an (m/n) = (3/2) tearing mode, the new phase location is not well controlled. These results could have application in ITER and other fusion power plant (FPP) - sized tokamaks as a method for spreading disruption first wall damage from REs

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Macroscopic trends of neoclassical tearing stability in high-field H-mode tokamak pilot plants

The neoclassical tearing mode (NTM) stability metric—minimum marginally stable island width $w$$^{*}_{m}$—was compared across 14651 inductive high-field tokamak pilot plant equilibria. Larger devices with reduced elongation and/or increased minor radius demonstrated an order-of-magnitude increase in $w$$^{*}_{m}$, primarily due to a reduction in bootstrap drive. This work is part of an ongoing effort to ensure passive NTM-stability in the ARC tokamak, in which the technology to achieve active tearing-suppression with localised electron cyclotron current drive does not yet exist. The equilibrium scenarios in the database were Monte Carlo generated and normalised to the same >400MW fusion power, minimum pressure scenario at a range of plasma currents, before tearing analysis using the modified Rutherford equation was applied for all resonant poloidal and toroidal m, n modes up to n = 4. Single-helicity toroidal Δ' calculations in resistive DCON set the minimum marginally stable island width, and a simple modal scaling proportional to –m 2 n –1 was identified for high-m Δ' values. The dominant correlates of $w$$^{*}_{m}$ and Δ' across the database were analysed using interpretable machine learning techniques.

NTM seeding↗
DOE OSTI2025

SPECTER: an instrument concept for CMB spectral distortion measurements with enhanced sensitivity

Deviations of the cosmic microwave background (CMB) energy spectrum from a perfect blackbody uniquely probe a wide range of physics, ranging from fundamental physics in the primordial Universe (μ-distortion) to late-time baryonic feedback processes (y-distortion). While the y-distortion can be detected with a moderate increase in sensitivity over that of COBE/FIRAS, the ΛCDM-predicted μ-distortion is roughly two orders of magnitude smaller and requires substantial improvements, with foregrounds presenting a serious obstacle. Within the standard model, the dominant contribution to μ arises from energy injected via Silk damping, yielding sensitivity to the primordial power spectrum at wavenumbers k ≈ 1-10 4 Mpc -1 . Here, we present a new instrument concept, SPECTER, with the goal of robustly detecting μ. The instrument technology is similar to that of LiteBIRD, but with an absolute temperature calibration system. Using a Fisher approach, we optimize the instrument's configuration to target μ while marginalizing over foreground contaminants. Unlike Fourier-transform-spectrometer-based designs, the specific bands and their individual sensitivities can be independently set in this instrument, allowing significant flexibility. We forecast SPECTER to observe the ΛCDM-predicted μ-distortion at ≈ 5σ (10σ) assuming an observation time of 1 (4) year(s) (corresponding to mission duration of 2 (8) years), after foreground marginalization. Our optimized configuration includes 16 bands spanning 1–2000 GHz with ∼degree-scale angular resolution at ∼ 150 GHz and 1100 total detectors. SPECTER will additionally measure the y-distortion at sub-percent precision and its relativistic correction at percent-level precision, yielding tight constraints on the total thermal energy and mean temperature of ionized gas.

CMBR experiments↗
DOE OSTI2025

Tokamak Disruption Simulation (Final Technical Report)

The Tokamak Disruption Simulation collaboration was a SciDAC (Scientific Discovery through Advanced Computing) program led by Xianzhu Tang of the Los Alamos National Laboratory but with separate grants to each institution. I was the PI for Columbia University and the only person at Columbia directly funded by this SciDAC. Disruptions are a sudden loss of confinement in tokamaks, and a reliable method of preventing disruptions must be developed before tokamak fusion power plants become feasible. A related plasma confinement concept, the stellarator, is the only way known way of preventing disruptions with the required reliability. The largest devices, both existing and under construction, for confining plasmas for fusion using magnetic fields are tokamaks, so it is important to solve their disruption issues. The sudden loss of confinement in tokamaks can be from a bit of material falling into the plasma, which causes the plasma energy to be quickly lost by radiation, or by an instability causing a breakup of the confining surfaces formed by the magnetic field. This breakup can occur more than a million times faster than one would naively think possible. The sudden breakup of surfaces is called a fast magnetic reconnection and also results in a sudden cooling of the plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2026

Overview of the physics basis for the ARC fusion power plant

Commonwealth Fusion Systems plans to build ARC as the first fusion power plant at a site in Chesterfield County, Virginia, USA by the early 2030s. We present an overview of analysis comprising the physics basis of the ARC V3A design, a high-magnetic-field tokamak with 𝐵 0 =11.4 T, 𝐼 𝑝 =12.0 MA, 𝑅 0 =4.62 m, 𝑎 =1.18 m. ARC V3A is designed to produce 𝑃 𝑓⁡𝑢⁢𝑠 ≈1.13 GW DT fusion power and deliver ⩾400 MW net electric power to the grid. This overview includes quantitative analysis of fundamental issues for design of and operational plasma scenarios for a tokamak power plant, and lays out the design targets and strategic choices for ARC, including empirical fusion performance projections, assessment of H-mode access, ion cyclotron resonance heating simulations, alpha particle physics and time-dependent full-pulse simulations. This is complemented by topical papers on fusion performance and transport, disruption physics, boundary physics and magnetohydrodynamic stability. Critically, these studies identify key model uncertainties and physics risks to be retired through SPARC operation. Due to the modular nature of ARC, early results from SPARC can be incorporated into the design of the first ARC as well as subsequent replacements of the ARC vacuum vessel.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Platinum and Gold Supported on Transition Metal Nitrides for Hydrogen Evolution in an Alkaline Electrolyte

Here, as the urgency to reduce reliance on fossil fuels increases due to carbon dioxide emissions, hydrogen produced by renewably powered water electrolysis has emerged as a promising technology. Alkaline electrolyzers typically exhibit lower current densities than acidic electrolyzers due to the slow kinetics of the hydrogen evolution reaction (HER) under alkaline conditions. This work developed Pt- and Au-modified transition metal nitride (TMN) thin films for improving alkaline HER kinetics. One monolayer Pt–VN, Pt–Mo 2 N, and Pt–TiN were the most promising thin-film catalysts, with alkaline HER activity approaching that of a bulk Pt foil. Additionally, the Gibbs free energy of adsorbed hydrogen was identified as a useful descriptor for alkaline HER activity on TMN and TMN-supported catalysts and has the potential to guide future studies on TMN-based catalysts for enhancing alkaline HER. For practical applications, the thin-film catalysts were then extended to Pt- and Au-modified TMN powders for alkaline HER. Both 5 wt % Pt/TiN and 2 wt % Pt/TiN powders exhibited lower overpotentials at 5 mA/cm 2 when normalized by the Pt electrochemical surface area than the commercial 5 wt % Pt/C benchmark, suggesting a Pt–TiN synergy that creates opportunities for more cost-effective alkaline HER cathodes. Moreover, 20 wt % Au/Mo 2 N also displayed an enhancement in HER activity when compared to the commercial 20 wt % Au/C benchmark.

58 GEOSCIENCES↗
DOE OSTI2025

BICEP/ Keck XVIII: Measurement of BICEP3 polarization angles and consequences for constraining cosmic birefringence and inflation

We use a custom-made calibrator to measure individual detectors’ polarization angles of BICEP3, a small aperture telescope observing the cosmic microwave background (CMB) at 95 GHz from the South Pole. We describe our calibration strategy and the statistical and systematic uncertainties associated with the measurement. We reach an unprecedented precision for such measurement on a CMB experiment, with a repeatability for each detector pair of 0.02°. Here, we show that the relative angles measured using this method are in excellent agreement with those extracted from CMB data. Because the absolute measurement is currently limited by a systematic uncertainty, we do not derive cosmic birefringence constraints from BICEP3 data in this work. Rather, we forecast the sensitivity of BICEP3 sky maps for such analysis. We investigate the relative contributions of instrument noise, lensing, and dust, as well as astrophysical and instrumental systematics. We also explore the constraining power of different angle estimators, depending on analysis choices. We establish that the BICEP3 2-year dataset (2017–2018) has an on-sky sensitivity to the cosmic birefringence angle of 𝜎 𝛼 = 0.07⁢8°, which could be improved to 𝜎 𝛼 = 0.05⁢5° by adding all of the existing BICEP3 data (through 2023). Furthermore, we emphasize the possibility of using the BICEP3 sky patch as a polarization calibration source for CMB experiments, which with the present data could reach a precision of 0.035°. Finally, in the context of inflation searches, we investigate the impact of detector-to-detector variations in polarization angles as they may bias the tensor-to-scalar ratio 𝑟. We show that while the effect is expected to remain subdominant to other sources of systematic uncertainty, it can be reliably calibrated using polarization angle measurements such as the ones we present in this paper.

Cosmic microwave background↗
DOE OSTI2026

Tokamak Energy’s pre-concept design for a fusion power plant: an overview of ST-E1

Climate change and rapidly rising energy demand, driven in part by artificial intelligence and data-centre growth, create an urgent need for stable, low-carbon, and abundant power. Fusion is a promising long-term solution, yet its commercialisation faces a fundamental paradox in today’s investment environment: pilot plants are essential to de-risk physics, engineering, and operations, but their limited lifetime energy output and high upfront costs make them difficult to finance. This paper presents Tokamak Energy’s response: ST-E1, a pre-concept design for a low-aspect-ratio tokamak power plant engineered specifically to overcome this challenge. ST-E1 is designed from the outset for phased operation—pilot and commercial phases, with an upgrade phase in between—with emphasis on commercial viability, maintainability, nuclear engineering, modularity, and upgradability. A key design principle is the deliberate separation of long-lived assets, such as the magnet cage and vacuum vessel, from replaceable in-vessel systems. This provides an attractive and credible investment approach to generate operational data and de-risk key technologies while preserving most capital-intensive assets for later commercial phases. The architecture supports continuous optimisation toward high net electric power (targeting 800–1000 MW net electric), a normalised capital expenditure of $\$$ 12–14k/kW of net electric power, and high availability (targeting > 80%). A tokamak core with a 5 m major radius, aspect ratio of 2.3, and on-plasma axis toroidal field of 5.25 T was selected to meet these objectives. This paper summarises the ST-E1 design philosophy, principal features, and development methodology. It introduces a Focus Collection of 11 papers detailing the pre-concept design of the entire tokamak and corresponding plant.

ST-E1↗
DOE OSTI2026

Relativistic Magnetohydrodynamic Simulations of Giant Magnetar Bursts

Gradual crustal deformation can generate strongly twisted magnetic fields around magnetars, potentially triggering giant flares with total energies exceeding 10 44 erg. In this letter, we present the first relativistic magnetohydrodynamic simulation of a surface shear-driven magnetar eruption, capturing reconnection-driven plasma heating, the ejection of relativistically hot plasma, and the formation of a hot fireball confined within the inner magnetosphere. We find that magnetic reconnection in the equatorial current sheet launches a hot trailing outflow capable of powering the initial spike observed in giant flares, while simultaneously leaving behind a thermally stratified fireball with sufficient thermal energy to produce the pulsating, decaying tail. Together, these features provide a self-consistent physical framework for understanding the observed energetics of magnetar giant flares. The eruption also expels a magnetically dominated giant plasmoid carrying up to ∼9% of the magnetosphere’s total magnetic energy. Furthermore, our simulation demonstrates how the plasmoid drives the formation of a blast wave—an important ingredient in models linking magnetar eruptions to fast radio bursts.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2026

Microstructural evolution, defect mitigation, and precipitation behavior in AA6061 via laser powder bed fusion with high-temperature substrate heating

Defects, particularly solidification cracking, remain persistent challenges in the laser powder bed fusion (LPBF) processing of AA6061 aluminum alloy. This study systematically investigates defect mitigation, microstructural evolution, and mechanical properties associated with high-temperature substrate preheating at 500 °C. Comprehensive microstructural analyses, including characterization of defects, grain structures, and precipitation behavior, were performed on samples in both as-built and T6 heat-treated states. Elevated preheating substantially reduced solidification cracking across a wide processing window, while demonstrating decreased crack sensitivity to laser parameters. Columnar cracks along the build direction were observed despite substrate preheating. Lack-of-fusion and keyhole porosity were effectively eliminated, though gas-induced microporosity persisted at higher powers. In-depth characterization of two distinct laser power and speed conditions confirmed the formation of micron-sized, non-coherent Mg 2 Si precipitates under heated substrate conditions, alongside α-AlFeCrMnSi intermetallic phases indicative of in-situ thermal effects during fabrication. Subsequent T6 heat treatment revealed the formation of fine, coherent needle-shaped β″ strengthening precipitates. Despite substantial differences in processing parameters, comparable mechanical properties were measured in the as-built samples (∼52 MPa yield strength, ∼130 MPa tensile strength), primarily due to reduced strain hardening effects and consistent precipitation characteristics. Meanwhile, the T6 heat treatment led to significant improvement in properties, enhancing yield strength by over 400%, aligning closely with the performance of conventional wrought AA6061-T6. These findings underscore that high-temperature substrate preheating offers an effective means to suppress cracks, control precipitation, and enhance mechanical performance in LPBF-processed AA6061.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Progress in pedestal and edge physics: Chapter 3 of the special issue: on the path to tokamak burning plasma operation

This paper describes the extensive progress that has been made in the understanding of tokamak pedestal physics since the 2007 publication of ‘Progress in the ITER Physics Basis’ (Ikeda 2007 Nucl. Fusion 47 E01–S500). It serves as Chapter 3 of the 2025 Nuclear Fusion Special Issue titled ‘On the Path to Tokamak Burning Plasma Operation’ (Campbell et al 2025 Nucl. Fusion ). This review was compiled by the pedestal and edge physics (PEP) community affiliated with the International Tokamak Physics Activity organization. It attempts to collect in one place citations to the majority of published literature on the pedestal physics topics that will be most important for the operation of a future power producing burning plasma tokamak. These include citations to publications describing the physics of the pedestal plasmas in many operating tokamaks worldwide and the pedestal physics projections for several near-term future devices including ITER. Descriptions of experimental results, interpretive modeling and predictive extrapolations are integrated together and comprehensive references are provided. This review is organized around four primary technical sections, viz.: pedestal structure, edge localized mode (ELM) characteristics, ELM control and regimes without large ELMs. Key results from many of the references are described briefly and set into the tokamak burning plasma power plant context. In addition, different perspectives on pedestal physics topics that are currently under debate within the community are also described, to provide guidance on needs for future research. Finally, attempts are made to describe conclusions from all of this progress consistent with discussions by the pedestal physics community at this time. The goal of this review is to provide a useful reference document for pedestal physics researchers going forward toward operation of a burning tokamak fusion plasma.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Structure of Iridium Oxides and Their Oxygen Evolution Electrocatalysis in Acidic Media

Proton exchange membrane water electrolyzers (PEMWEs) have emerged as one of the most promising technologies for the large-scale production of clean hydrogen. Gigawatt scale deployment of PEMWEs requires substantial reduction in the loading of iridium (Ir), which is one of the most expensive and rarest elements. Substantial reduction in Ir loading calls for the development of innovative Ir-based anodes, which requires a clear understanding of how iridium oxides accelerate the sluggish oxygen evolution reaction (OER) in acidic media. Herein, we studied the structure and OER electrocatalysis of three representative iridium oxides ─ hydrous, amorphous, and rutile ─ by employing a combination of physicochemical and electrochemical characterization. Additionally, we found that the hydrous iridium oxide had a different local structure of IrO 6 octahedra and a superior OER intrinsic activity compared with the other two, and that the OER activities of all three types decreased with decreasing pH of acidic solution. We proposed that the OER process of these iridium oxides is limited by water nucleophilic attack on the OER intermediate oxygenated adsorbates. Based on this mechanism, we attributed the superior OER activity of hydrous iridium oxides to their longer Ir–O bonds and the pH-dependent OER activity of iridium oxides to the pH-dependent oxidation of Ir.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Dark Energy Survey Year 3 Results: Cosmological constraints from second- and third-order shear statistics

Here, we present a cosmological analysis of the third-order aperture mass statistic using Dark Energy Survey Year 3 (DES Y3) data. We perform a complete tomographic measurement of the three-point correlation function of the Y3 weak lensing shape catalog with the four fiducial source redshift bins. Building upon our companion methodology paper, we apply a pipeline that combines the two-point function ξ ± with the mass aperture skewness statistic ⟨ M ap 3 ⟩ , which is an efficient compression of the full shear three-point function. We use a suite of simulated shear maps to obtain a joint covariance matrix. By jointly analyzing ξ ± and ⟨ M ap 3 ⟩ measured from DES Y3 data with a Λ CDM model, we find S 8 = 0.780 ± 0.015 and Ω m = 0.26 6 - 0.040 + 0.039 , yielding 111% of figure-of-merit improvement in the Ω m - S 8 plane relative to ξ ± alone, consistent with expectations from simulated likelihood analyses. With a w CDM model, we find S 8 = 0.74 9 - 0.026 + 0.027 and w 0 = - 1.39 ± 0.31 , which gives an improvement of 22% on the joint S 8 - w 0 constraint. Our results are consistent with w 0 = - 1 . Our new constraints are compared to CMB data from the Planck satellite, and we find that with the inclusion of ⟨ M ap 3 ⟩ the existing tension between the datasets is at the level of 2.3 σ . We show that the third-order statistic enables us to self-calibrate the mean photometric redshift uncertainty parameter of the highest redshift bin with little degradation in the figure of merit. Our results demonstrate the constraining power of higher-order lensing statistics and establish ⟨ M ap 3 ⟩ as a practical observable for joint analyses in current and future surveys.

Gomes, R. C. H. [University of Pennsylvania] (ORCI↗
DOE OSTI2025

The Atacama Cosmology Telescope: DR6 power spectrum foreground model and validation

We discuss the model of astrophysical emission at millimeter wavelengths used to characterize foregrounds in the multi-frequency power spectra of the Atacama Cosmology Telescope (ACT) Data Release 6 (DR6), expanding on Louis et al. (2025) (2503.14452). We detail several tests to validate the capability of the DR6 parametric foreground model to describe current observations and complex simulations, and show that cosmological parameter constraints are robust against model extensions and variations. We demonstrate consistency of the model with pre-DR6 ACT data and observations from Planck and the South Pole Telescope. We evaluate the implications of using different foreground templates and extending the model with new components and/or free parameters. In all scenarios, the DR6 ΛCDM and ΛCDM+N eff cosmological parameters shift by less than 0.5σ relative to the baseline constraints. Some foreground parameters shift more; we estimate their systematic uncertainties associated with modeling choices. From our constraint on the kinematic Sunyaev-Zel'dovich power, we obtain a conservative limit on the duration of reionization of Δz rei < 4.4, assuming a reionization midpoint consistent with optical depth measurements and a minimal low-redshift contribution, with varying assumptions for this component leading to tighter limits. Finally, we analyze realistic non-Gaussian, correlated microwave sky simulations containing Galactic and extragalactic foreground fields, built independently of the DR6 parametric foreground model. Processing these simulations through the DR6 power spectrum and likelihood pipeline, we recover the input cosmological parameters of the underlying cosmic microwave background field, a new demonstration for small-scale CMB analysis. These tests validate the robustness of the ACT DR6 foreground model and cosmological parameter constraints.

CMBR experiments↗
DOE OSTI2025

Accelerating discoveries at DIII-D with the Integrated Research Infrastructure

DIII-D research is being accelerated by leveraging high performance computing (HPC) and data resources available through the National Energy Research Scientific Computing Center (NERSC) Superfacility initiative. As part of this initiative, a high-resolution, fully automated, whole discharge kinetic equilibrium reconstruction workflow was developed that runs at the NERSC for most DIII-D shots in under 20 min. This has eliminated a long-standing research barrier and opened the door to more sophisticated analyses, including plasma transport and stability. These capabilities would benefit from being automated and executed within the larger Department of Energy Advanced Scientific Computing Research program’s Integrated Research Infrastructure (IRI) framework. The goal of IRI is to empower researchers to meld DOE’s world-class research tools, infrastructure, and user facilities seamlessly and securely in novel ways to radically accelerate discovery and innovation. For transport, we are looking at producing flux matched profiles and also using particle tracing to predict fast ion heat deposition from neutral beam injection before a shot takes place. Our starting point for evaluating plasma stability focuses on the pedestal limits that must be navigated to achieve better confinement. This information is meant to help operators run more effective experiments, so it needs to be available rapidly inside the DIII-D control room. So far this has been achieved by ensuring the data is available with existing tools, but as more novel results are produced new visualization tools must be developed. In addition, all of the high-quality data we have generated has been collected into databases that can unlock even deeper insights. This has already been leveraged for model and code validation studies as well as for developing AI/ML surrogates. The workflows developed for this project are intended to serve as prototypes that can be replicated on other experiments and can be run to provide timely and essential information for ITER, as well as next stage fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Production, quality assurance and quality control of the SiPM Tiles for the DarkSide-20k Time Projection Chamber

The DarkSide-20k dark matter direct detection experiment will employ a 21 m 2 silicon photomultiplier (SiPM) array, instrumenting a dual-phase 50 tonnes liquid argon Time Projection Chamber (TPC). SiPMs are arranged into modular photosensors called Tiles, each integrating 24 SiPMs onto a printed circuit board (PCB) that provides signal amplification, power distribution, and a single-ended output for simplified readout. Tiles are further grouped into Photo-Detector Units (PDUs). This paper details the production of the Tiles and the Quality Assurance and Quality Control (QA-QC) protocol established to ensure their performance and uniformity. The production and QA-QC of the Tiles are carried out at Nuova Officina Assergi (NOA), an ISO-6 clean room facility at LNGS. This process includes wafer-level cryogenic characterisation, precision die attaching, wire bonding, and extensive electrical and optical validation of each Tile. The overall production yield exceeds 83.5%, matching the requirements of the DarkSide-20k production plan. These results validate the robustness of the Tile design and its suitability for operation in a cryogenic environment.

Acerbi, F. [Fondazione Bruno Kessler]↗
DOE OSTI2025

Doubling fusion power with volumetric optimization in magnetic confinement fusion devices

A technique, volumetric power optimization, is presented for enhancing the power output of magnetic confinement fusion devices. Applied to a tokamak, this approach involves shifting the burning plasma region to a larger plasma volume while introducing minimal perturbations to the plasma boundary shape. This edge perturbation—squareness—is analogous to pinching and stretching the edge boundary. Stability calculations confirm that this edge alteration is compatible with maintaining plasma stability. This optimization method for optimizing fusion power output could improve the performance of magnetic confinement fusion power plants.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Defect Complexes in CrSBr Revealed Through Electron Microscopy and Deep Learning

Atomic defects underpin the properties of van der Waals materials, and their understanding is essential for advancing quantum and energy technologies. Scanning transmission electron microscopy is a powerful tool for defect identification in atomically thin materials, and extending it to multilayer and beam-sensitive materials would accelerate their exploration. Here, we establish a comprehensive defect library in a bilayer of the magnetic quasi-1D semiconductor CrSBr by combining atomic-resolution imaging, deep learning, and calculations. We apply a custom-developed machine learning work flow to detect, classify, and average point vacancy defects. This classification enables us to uncover several distinct Cr interstitial defect complexes, combined Cr and Br vacancy defect complexes, and lines of vacancy defects that extend over many unit cells. We show that their occurrence is in agreement with our computed structures and binding energy densities, reflecting the intriguing layer interlocked crystal structure of CrSBr. Our ab initio calculations show that the interstitial defect complexes give rise to highly localized electronic states. These states are of particular interest due to the reduced electronic dimensionality and magnetic properties of CrSBr and are, furthermore, predicted to be optically active. Our results broaden the scope of defect studies in challenging materials and reveal new defect types in bilayer CrSBr that can be extrapolated to the bulk and to over 20 materials belonging to the same FeOCl structural family.

deep learning↗