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Magnetic Reconnection: Theoretical and Observational Perspectives: Preface

Magnetic reconnection is a fundamental plasma-physical process by which energy stored in a magnetic field is converted, often explosively, into heat and the kinetic energy of the charged particles that constitute the plasma. It occurs in a variety of astrophysical settings, ranging from the solar corona to pulsar magnetospheres and winds, as well as in laboratory fusion experiments, where it is responsible for sawtooth crashes. First proposed by R.G. Giovanelli in the late I 940s as the mechanism responsible for solar flares, magnetic reconnection was invoked at the beginning of the space age to explain not just solar flares but also the transfer of energy, mass, and momentum from the solar wind to Earth's magnetosphere and the subsequent storage and release of the transferred energy in the magnetotai\. During the half century or so that has followed the seminal theoretical works by J.W. Dungey, P.A. Sweet, E.N. Parker, and H.E. Petschek, in-situ measurements by Earth-orbiting satellites and remote-sensing observations of the solar corona have provided a growing body of evidence for the occurrence of reconnection at the Sun, in the solar wind, and in the near-Earth space environment. The last thirty years have also seen the development of laboratory reconnection experiments at a number of institutions. In parallel with the efforts of experimentalists in both space and laboratory plasma physics, theorists have investigated, analytically and with the help of increasingly powerful MHD, hybrid, and kinetic numerical simulations, the structure of the diffusion region, the factors controlling the rate, onset, and cessation of reconnection, and the detailed physics that enables the demagnetization of the ions and electrons and the topological reconfiguration of the magnetic field. Moreover, the scope of theoretical reconnection studies has been extended well beyond solar system and laboratory plasmas to include more exotic astrophysical plasma systems whose strong (10(exp 14)-10(exp 15) G) magnetic fields require that models of reconnection in these systems incorporate quantum electrodynamical, special relativistic, and radiative effects. The papers collected in this topical issue of Space Science Reviews cover different aspects of recent theoretical and observational work on magnetic reconnection in solar and space physics, astrophysics, and laboratory plasma physics. They derive from presentations given at a workshop on magnetic reconnection held in the Yosemite National Park, February 8-12,2010. The intent of the workshop was to stimulate, through a combination of tutorial talks, shorter focused talks, and extensive informal discussions, an interdisciplinary dialogue among members of the different research communities working on the problem of magnetic reconnection. One of the motivating considerations for holding the workshop was its relevance to NASA's Magnetospheric Multiscale (MMS) mission, scheduled for launch in 2014. The four identically instrumented MMS spacecraft are designed to study reconnect ion in Earth's magnetosphere and, specifically, to probe the electron diffusion region in order to determine the microphysical processes that enable the change in the topology of the magnetic field. Building on the achievements of the multi spacecraft Cluster and THEMIS missions, MMS will use the magnetosphere as an astrophysical plasma laboratory in which to test, through in-situ measurement of the plasma, energetic particles, and electric and magnetic fields, various models and theories that have emerged during the past twenty years, a period of extraordinarily productive theoretical and observational work.

Lewis, W. S.

Repetitive Interrogation of 2-Level Quantum Systems

Trapped ion clocks derive information from a reference atomic transition by repetitive interrogations of the same quantum system, either a single ion or ionized gas of many millions of ions. Atomic beam frequency standards, by contrast, measure reference atomic transitions in a continuously replenished "flow through" configuration where initial ensemble atomic coherence is zero. We will describe some issues and problems that can arise when atomic state selection and preparation of the quantum atomic system is not completed, that is, optical pumping has not fully relaxed the coherence and also not fully transferred atoms to the initial state. We present a simple two-level density matrix analysis showing how frequency shifts during the state-selection process can cause frequency shifts of the measured clock transition. Such considerations are very important when a low intensity lamp light source is used for state selection, where there is relatively weak relaxation and re-pumping of ions to an initial state and much weaker 'environmental' relaxation of the atomic coherence set-up in the atomic sample.

Rabi interrogation

Architectures and random properties of symplectic quantum circuits

Parametrized and random unitary (or orthogonal) n-qubit circuits play a central role in quantum information. As such, one could naturally assume that circuits implementing symplectic transformations would attract similar attention. However, this is not the case, as $\mathbb{SP}(d/2)$—the group of d × d unitary symplectic matrices—has thus far been overlooked. In this work, we aim at starting to fill this gap. We begin by presenting a universal set of generators $\mathcal{G}$ for the symplectic algebra $\mathfrak{sp}(d/2)$, consisting of one- and two-qubit Pauli operators acting on neighboring sites in a one-dimensional lattice. Here, we uncover two critical differences between such set, and equivalent ones for unitary and orthogonal circuits. Namely, we find that the operators in $\mathcal{G}$ cannot generate arbitrary local symplectic unitaries and that they are not translationally invariant. We then review the Schur–Weyl duality between the symplectic group and the Brauer algebra, and use tools from Weingarten calculus to prove that Pauli measurements at the output of Haar random symplectic circuits can converge to Gaussian processes. As a by-product, such analysis provides us with concentration bounds for Pauli measurements in circuits that form t-designs over $\mathbb{SP}(d/2)$. To finish, we present tensor-network tools to analyze shallow random symplectic circuits, and we use these to numerically show that computational-basis measurements anti-concentrate at logarithmic depth.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC

Ultrafast Spectroscopy in Chemistry

Ultrafast spectroscopy has become an indispensable investigation tool in numerous areas of chemical research encompassing purely synthetic to semiconductor material domains. Harnessing light on its femtosecond time scales offers a glimpse into submolecular processes that direct reaction pathways, energy transfer, charge separation, and many other fundamental chemical phenomena. In this Perspective, we highlight select examples that introduce how ultrafast spectroscopy became a pillar for modern chemical science. We emphasize the achievements of conventional pump–probe spectroscopy by showing its contribution to disentangling peculiar mechanisms of carrier relaxation in semiconductor nanocrystals, charge separation in organic photovoltaic devices, and photoredox catalyst activation. Our examples show that even traditional pump–probe experiments can provide extensive insights that go beyond the resolution of ultrafast time scales if combined with a thorough preliminary assessment of the target system. We conclude with suggestions for how ultrafast spectroscopy in tandem with chemical science can embark on advancing practical quantum information research.

Excitons

Visualizing the strong field–induced molecular breakup of C 60 via x-ray diffraction

Laser-driven dynamics in polyatomic molecules poses a complex many-body problem. Understanding intense light-matter interaction is crucial for steering intramolecular quantum dynamical processes. Here, we record time-resolved x-ray diffraction images of C 60 molecules during and after their interaction with intense near-infrared fields, giving direct access to structural changes of the molecules and their fragmentation in real time. Tuning the intensity of the excitation pulses, we uncover a transition from a weak-field regime of excited but stable molecules to a high-field regime dominated by Coulomb explosion. In the transition region, the molecules expand by up to 50% of their initial size within just 140 fs, with major fragmentation only setting in afterward. This work demonstrates that x-ray diffractive imaging is capable of retrieving time-resolved structural information of large molecules reshaped by intense laser fields. Laser-driven fragmentation is a first step toward observing molecular processes modified by laser fields of increasing intensity.

Schnorr, Kirsten [Paul Scherrer Inst. (PSI), Villi

Toward a microscopic picture of hadronization and multi-parton processes

This project advanced the understanding of how quarks and gluons produced in high-energy collisions transform into the hadrons observed in particle detectors, a fundamental process known as quantum chromodynamics (QCD) hadronization. By combining theoretical calculations, quantum simulation methods, and modern AI techniques, the research developed new tools to study multi-parton dynamics and nonperturbative effects that are essential for interpreting data from current and future nuclear physics experiments. Key outcomes include new theoretical frameworks for jet and hadron measurements, pioneering quantum simulation algorithms for real-time dynamics in field theories, and the development of advanced machine-learning models, such as diffusion models and explainable classifiers, to simulate and analyze collider events. These results are directly relevant to experiments at Jefferson Lab, Brookhaven National Laboratory, and the future Electron-Ion Collider, and they also have a broader impact in areas such as quantum information science and data-driven modeling of complex systems. The project supported the training of graduate students and postdoctoral fellows and contributed to the broader scientific community through publications, workshops, and collaborative activities. Overall, this work provides new insights into the microscopic mechanisms of hadron formation and establishes a foundation for future studies at the intersection of nuclear physics, artificial intelligence, and quantum computing.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS

Direct nonparametric multimessenger constraints on the equation of state of cold dense nuclear matter

We utilize the now substantial amount of astrophysical observations of neutron stars (NSs), along with perturbative quantum chromodynamics (pQCD) calculations at high density, to directly constrain the NS equation of state (EOS). To this end, we construct nonparametric EOS priors by using Gaussian processes trained on 75 EOSs, which include models with either hadrons, hyperons, or quarks at high densities. We create a prior using the full EOS sample (model agnostic), and one prior for each EOS family to test model discrimination. We introduce a novel inference approach, which allows the simultaneous sampling of intrinsic and extrinsic parameters of binary NS mergers, as well as a nonparametric equation of state. We showcase this method in a Bayesian updating scheme by first performing a complete analysis of the binary NS merger event GW170817 with minimal assumptions, and sequentially adding information from x-ray and radio NS observations, along with pQCD calculations. Besides providing standard constraints, such as the pressure at twice nuclear saturation density 𝑝⁡(2⁢𝜌 sat ) = 4.3$^{+0.6}_{−0.6}$ × 10 34 dyne/cm 2 , at 95% confidence level, for the model agnostic prior, our methodology shows how the choice of EOS families used in conditioning changes the inferred astrophysical properties of the EOS, namely tidal deformability and maximum supported NS mass. We find hyperonic priors predicting higher tidal deformabilities for a 1.4⁢𝑀 ⊙ NS, and hadronic priors being preferred by the considered astrophysical data.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

AladynPi – Adaptive Neural Network Molecular Dynamics Simulation Code with Physically Informed Potential: Computational Materials Mini-Application

This report provides an overview and description of commands used in the Computational Materials mini-application, AladynPi. AladynPi is an extension of a previously released mini-application, Aladyn (https://github.com/nasa/aladyn; Yamakov, V.I., and Glaessgen, E.H., NASA/TM-2018-220104). Aladyn and AladynPi are basic molecular dynamics codes written in FORTRAN 2003, which are designed to demonstrate the use of adaptive neural networks (ANNs) in atomistic simulations. The role of ANNs is to efficiently reproduce the very complex energy landscape resulting from the atomic interactions in materials with the accuracy of the more expensive quantum mechanics-based calculations. The ANN is trained on a large set of atomic structures calculated using the density functional theory method. An input for the ANN is a set of structure coefficients, characterizing the local atomic environment of each atom, for which the atomic energy is obtained in the ANN inference process. In Aladyn, the ANN gives directly the energy of interatomic interactions. In AladynPi, the ANN gives optimized parameters for a predefined empirical function, known as bond-order-potential (BOP). The parameterized BOP function is then used to calculate the energy. AladynPi code is being released to serve as a training testbed for students and professors in academia to explore possible optimization algorithms for parallel computing on multicore central processing unit (CPU) computers or computers utilizing manycore architectures based on graphic processing units (GPUs). The effort is supported by the High Performance Computing incubator (HPCi) project at NASA Langley Research Center.

Yamakov, Vesselin I.

Pigs in cyberspace

Exploration and colonization of the universe awaits, but Earth-adapted biological humans are ill-equipped to respond to the challenge. Machines have gone farther and seen more, limited though they presently are by insect-like behavior inflexibility. As they become smarter over the coming decades, space will be theirs. Organizations of robots of ever increasing intelligence and sensory and motor ability will expand and transform what they occupy, working with matter, space and time. As they grow, a smaller and smaller fraction of their territory will be undeveloped frontier. Competitive success will depend more and more on using already available matter and space in ever more refined and useful forms. The process, analogous to the miniaturization that makes today's computers a trillion times more powerful than the mechanical calculators of the past, will gradually transform all activity from grossly physical homesteading of raw nature, to minimum-energy quantum transactions of computation. The final frontier will be urbanized, ultimately into an arena where every bit of activity is a meaningful computation: the inhabited portion of the universe will be transformed into a cyberspace. Because it will use resources more efficiently, a mature cyberspace of the distant future will be effectively much bigger than the present physical universe. While only an infinitesimal fraction of existing matter and space is doing interesting work, in a well developed cyberspace every bit will be part of a relevant computation or storing a useful datum. Over time, more compact and faster ways of using space and matter will be invented, and used to restructure the cyberspace, effectively increasing the amount of computational spacetime per unit of physical spacetime. Computational speed-ups will affect the subjective experience of entities in the cyberspace in a paradoxical way. At first glimpse, there is no subjective effect, because everything, inside and outside the individual, speeds up equally. But, more subtly, speed-up produces an expansion of the cyber universe, because, as thought accelerates, more subjective time passes during the fixed (probably lightspeed) physical transit time of a message between a given pair of locations - so those fixed locations seem to grow farther apart. Also, as information storage is made continually more efficient through both denser utilization of matter and more efficient encodings, there will be increasingly more cyber-stuff between any two points. The effect may somewhat resemble the continuous-creation process in the old steady-state theory of the physical universe of Hoyle, Bondi and Gold, where hydrogen atoms appear just fast enough throughout the expanding cosmos to maintain a constant density.

Moravec, Hans

Ferroelectrically switched valley-dependent transmission in SnTe-PbTe-SnTe monolayer lateral heterostructures

A special class of valleytronic two-dimensional (2D) semiconductors possesses carrier pockets (i.e., valleys) along certain directions in the first Brillouin zone, which can be applied as a new degree of freedom for information storage and processing. Here we show that members of this family that are ferroelectric allow the location of these valleys to be switched by rotating the ferroelectric polarization. This makes possible the control of electronic state transmission probability through an energy barrier by ferroelectrically switching the polarization direction, thereby creating or eliminating valley matching in reciprocal space. We apply molecular beam epitaxy to grow lateral sandwich heterostructures with monolayer-thick ferroelectric SnTe separated by nanometer-wide paraelectric PbTe as the barriers. Using scanning tunneling microscopy, we show that the transmission probability of the 2D hole states at the valence band maximum of SnTe monolayer strongly relies on the relative orientation between the polarization directions of the two SnTe electrodes. The transmission can be switched from a suppressed state to a permitted state by rotating the ferroelectric polarization of one SnTe electrode by 90 degrees. Our work demonstrates the electric-field-control of valley locations and its potential for tunnel junction valleytronic devices.

electronic devices

Photochemistry of acetylene at 1849 A

It is pointed out that the photochemistry of acetylene in the 1500-2000 A region at low pressure, particularly the quantum yield of C2H production and the reactions of C2H with H2 and hydrocarbons, is important in understanding the photochemistry of Jovian and Titan atmospheres. The present investigation was initiated to obtain information on these issues. The 1849 A light source used in the study was a sealed quartz tube containing a drop of Hg and 2 torr of Ar excited by a microwave generator. The lamp was attached to a Pyrex reaction cell. The amount of diacetylene produced was measured on the basis of absorption near 1650 A. Reaction mixtures of acetylene with N2, He, C2H6, or C3H8 were prepared. Attention is given to the absorption cross section, the photolysis of acetylene, and the photolysis of acetylene in the presence of other gases. It is found that the photochemical process of acetylene at 1849 A may represent that of acetylene in the Titan atmosphere.

Okabe, H.

The Unit of Lightning

For the past century, scientists have made quantitative measurements of lightning discharges. In the process, they refined the definition of a lightning unit, or basic quantum of lightning, in order to base it on observable parameters. Although many components of a lightning discharge have been identified, lightning usually occur in groups of discharges or pulses that, although complex, can be organized into units of flashes. This unit definition is based mainly on measurements of lightning from electric field, video, and ground flash lightning locating networks. More recent instrumentation with various combinations of high sensitivity, high temporal, or high spatial resolution often measure signals produced by lightning that do not cleanly divide into flashes. The data from these systems indicate the need or a more fundamental unit for lightning. Such a unit would be of benefit for both basic understanding of lightning and comparing lightning information between instruments. Without a common lightning unit definition, intercomparisons are difficult. For an example, the Lightning Detection And Ranging system (LDAR) at Kennedy Space Center (KSC) have detected ,flash' rates as high as 600 per minute while analysis based on the Advanced Ground Based Field Mill network (AGBFM) detect only 33 "flashes" per minute in the same area and time periods. The satellite based Optical Transient Detector (OTD) and Lightning Imaging Sensor (LIS) sometimes see single "flashes" that last longer than 10 seconds. Such long duration flashes are not found in electric field records or ground strike location system data sets. The unit of lightning should be based on the fundamental components of the lightning discharge. This should make the unit as generally applicable as possible. For example, studies of NO(x) production by lightning depend on parameters of the individual lightning channels and not the summary flash characteristics. For such studies, the best unit of lightning may be closer to the classical stroke in the electric field data sets, flash in the LDAR data sets, and group in the OTD/LIS data sets. For this type of study, however, more than just the stroke count information is needed. In this paper, we will outline the current definitions of the unit of lightning and propose new basic definitions for the unit of lightning. Since different instruments detect lightning in different ways and different studies may need almost mutually exclusive aspects of the lightning discharge, there may not be a single definition of the unit of lightning that can be applied to all systems and all studies. However, common components can be found since all instrumentation are detecting aspects of the same phenomenon.

Mach, Douglas M.

Some Aeronautical Communications Experiments

Classically there has existed an asymmetry between the computing and communicating sides of aerospace systems. Over the past few decades, this asymmetry has shifted to favoring communication link technologies, meaning that advancements in available central processing units (CPUs), storage devices, and internal data buses have stagnated. Indeed, the increased emphasis placed on refining subsystem performance such as with antenna bandwidth in phased arrays, amplifier power efficiency, software defined radio (SDR) flexibility and encoding for data compression and error correction has given rise to successful debuts of multi-gigabit-per-second data return from long space-link distances. These accomplishments are easily quantifiable through link budgets and illustrate what is possible, but also reveal the deficiencies in overall communications capabilities. In particular, the ever-accelerating presence of aerospace vehicles gives rise to newer and larger classes of challenges to address the needs of 21st century systems. Furthermore remote sensing and imaging capabilities have far outpaced our ability to transmit their products to the ground, so we are increasingly dependent on pre-processing and downselection to contend with the communications bottleneck. No longer may we depend upon the constrained logistics in delivering end-to-end data delivery through manual reconfigurations, static event scheduling and execution on a per-vehicle basis, for these methods do not scale and therefore must give way to dynamic, networked approaches with an overall systems view in mind. Emerging mission requirements exhibit a trend toward multiple smaller-scale vehicles working together to perform dissimilar observations. Such operations necessitate sensor fusion across a constellation, and where data processing may be distributed throughout a fairly disconnected network whose topology changes over time in non-deterministic manners. Individual communications link performance is still very relevant to deploying an effective communications system, but now must be embedded within a greater architecture of capability to optimally utilize the bandwidth available from each link to generate an ultimate end-to-end quality of service. The deleterious effects of timing uncertainty across the arrangement presents a challenge to measurement synchronization and delivery, so a successful deployed system needs to be tolerant to the delays inherent in time-of-light between elements and digital processing latencies existing at each node. In this presentation we share the flight test results from a high performance Gbps laser communications terminal evaluated with a suite of store and forward capabilities called High-rate Delay Tolerant Networking (HDTN). The communications payload is operated over Lake Erie across a range of configurations including several convergence layers, and is evaluated to determine recovery time after link disruptions, information loss, efficiency and speed. The effectiveness of utilizing a flying laboratory to increase the Technology Readiness Level (TRL) of an integrated system in relevant environments is discussed, as well as the value of conducting aeronautics experiments to retire risk for technology infusion into space missions. Upcoming flight campaigns will be presented, including opportunities to demonstrate secure command and control, data intensive hyperspectral imaging, quantum link characterization, 4k High Definition (HD) video streaming and internetworked space-ground-aero relay operations. These experiments will pave the way for future missions which will depend upon interoperability across disparate government and privately owned networks, involve contention with uncertain and dynamic timing, and require agility to autonomously configure optimal parameters across networks of ever-increasing size and complexity to ensure data delivery. https://www1.grc.nasa.gov/space/scan/acs/tech-studies/dtn/

Daniel Raible

Silicon-On-Silicon Carbide Platform for Integrated Photonics

Silicon carbide (SiC)'s nonlinear optical properties and applications to quantum information have recently brought attention to its potential as an integrated photonics platform. However, despite its many excellent material properties, such as large thermal conductivity, wide transparency window, and strong optical nonlinearities, it is generally a difficult material for microfabrication. Here, it is shown that directly bonded silicon-on-silicon carbide can be a high-performing hybrid photonics platform that does not require the need to form SiC membranes or directly pattern in SiC. The optimized bonding method yields defect-free, uniform films with minimal oxide at the silicon–silicon–carbide interface. Ring resonators are patterned into the silicon layer with standard, complimentary metal–oxide–semiconductor (CMOS) compatible (Si) fabrication and measure room-temperature, near-infrared quality factors exceeding 10 5 . The corresponding propagation loss is 5.7 dB cm -1 . The process offers a wafer-scalable pathway to the integration of SiC photonics into CMOS devices.

36 MATERIALS SCIENCE

Order-by-order uncertainties of nucleon-nucleon Wolfenstein amplitudes in chiral effective field theory

Quantum mechanical invariance principles dictate the most general operator structure that can be present in the nucleon-nucleon (NN) interaction. Five independent operators appear in the on-shell NN amplitude together with five corresponding coefficient functions. The usual choice for these coefficient functions is known as the NN Wolfenstein amplitudes. We analyze the order-by-order convergence of each of the five NN Wolfenstein amplitudes predicted by a semilocal coordinate space potential implementation of chiral effective field theory (𝜒⁢EFT). We do this at laboratory kinetic energies between 25 and 200 MeV for both neutron-proton and proton-proton scattering. Our analysis uses the Gaussian-process methods developed by the BUQEYE Collaboration to describe the contributions of each 𝜒⁢EFT order, and so yields truncation uncertainties for each Wolfenstein amplitude that are correlated across scattering angles. We combine information on the size of different orders in the EFT to infer the 𝜒⁢EFT breakdown scale for each amplitude, finding, on average, Λ 𝑏 between 750 and 800 MeV. Furthermore, with this choice of Λ 𝑏 , the EFT truncation uncertainties cover both higher-order results and empirical Wolfenstein amplitudes well for all orders other than the leading order.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS

Competing ionization and dissociation: Extension of the energy-dependent frame transformation to the gerade symmetry of H 2

This article solves two major tasks that frequently arise in the theory of electron collisions with a target molecular cation. First, it extends the energy-dependent frame transformation (EDFT) treatment, which is needed to map fixed-nuclei electron-molecule scattering matrices into an energy-dependent laboratory-frame scattering matrix with vibrational channel indices. The EDFT mapping can now be carried out even when the target molecule possesses multiple low-energy potential curves, significantly transcending previous applications. Second, it implements a method to extract the rest of the full laboratory-frame scattering matrix, i.e., the columns and rows describing input and/or output dissociation channels. The treatment is benchmarked in this article against the essentially exact solution of a refined two-dimensional model of the singlet gerade Σ symmetry of H 2 . Our tests demonstrate that the theory accurately maps fixed-nuclei scattering information, of the type provided by existing electron-molecule computer codes, into a laboratory-frame scattering matrix that includes both ionization and dissociation. Furthermore, this treatment can provide a general framework applicable to a broad class of electron collision processes involving diatomic target ions, suitable for an accurate description of challenging processes such as dissociative recombination.

74 ATOMIC AND MOLECULAR PHYSICS

Reversible Modification of Rashba States in Topological Insulators at Room Temperature by Edge Functionalization

Quantum materials with novel spin textures from strong spin-orbit coupling (SOC) are essential components for a wide array of proposed spintronic devices. Topological insulators have a necessary strong SOC that imposes a unique spin texture on topological states and Rashba states that arise on the boundary, but there is no established methodology to control the spin texture reversibly. Here, it is demonstrated that functionalizing Bi 2 Se 3 films by altering the step-edge termination directly changes the strength of SOC and thereby modifies the Rashba strength of 1D edge states. Scanning tunneling microscopy/spectroscopy shows that these Rashba edge states arise and subsequently vanish through the Se functionalization and reduction process of the step edges. The observations are corroborated by density functional theory calculations, which show that a subtle chemical change of edge termination fundamentally alters the underlying electronic structure. Importantly, fully reversible and repeatable switching of Rashba edge states across multiple cycles at room temperature is experimentally demonstrated. The results imply Se functionalization as a practical method to control SOC and spin texture of quantum states in topological insulators.

Rashba edge states

Autonomous fabrication of tailored defect structures in 2D materials using machine learning-enabled scanning transmission electron microscopy

Materials with tailored quantum properties can be engineered from atomic-scale assembly techniques, but existing methods often lack the agility and accuracy to precisely and intelligently control the manufacturing process. Here, we demonstrate a fully autonomous approach for fabricating atomic-level defects using electron beams in scanning transmission electron microscopy (STEM) that combines advanced machine learning and automated beam control. As a proof of concept, we achieved controlled fabrication of MoS-nanowire (MoS-NW) edge structures by iterative and targeted exposure of MoS 2 monolayer to a focused electron beam to selectively eject sulfur atoms, utilizing high-angle annular dark-field (HAADF) imaging for feedback-controlled monitoring of structural evolution of defects. A machine learning framework combining a random forest model and a convolutional neural network (CNN) was developed to decode the HAADF image and accurately identify atomic positions and species. This atomic-level information was then integrated into an autonomous decision-making platform, which applied predefined fabrication strategies to instruct beam control about atomic sites to be ejected. The selected sites were subsequently exposed to a localized electron beam using an FPGA-controlled scan routine with precise control over beam positioning and duration. While the MoS-NW edge structures produced exhibit promising mechanical and electronic properties, the proposed methods to build the autonomous fabrication framework is material-agnostic and can be extended to other 2D materials for the creation of diverse defect structures and heterostructures beyond Mo S2 .

Engineering