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DOE OSTI2024

Coupling-dependent antiferromagnetic-ferromagnetic ordering in a pinwheel artificial spin ice

Nanopatterned magnetic thin films offer a platform for exploration of tailored magnetic properties such as emergent long-range order. A prominent example is artificial spin ice (ASI), where an arrangement of nanoscale magnetic elements, acting as macrospins, interact via their dipolar fields. In this study, we discuss the transition from antiferromagnetic (AFM) to ferromagnetic (FM) long-range order in a square lattice ASI as the magnetic elements are gradually rotated through 45⁢° to a “pinwheel” configuration. The AFM-FM transition is observed experimentally using synchrotron radiation x-ray spectromicroscopy and occurs for a certain rotation angle of the nanomagnets, dependent on the dipolar coupling strength determined by the separation of the magnets in the lattice. Large-scale magnetic dipole simulations show that the point-dipole approximation fails to capture the correct AFM-FM transition angle. However, excellent agreement with experimental data is obtained using a dumbbell-dipole model, which better reflects the actual dipolar fields of the magnets. This model also explains the coupling dependence of the transition angle, another feature not captured by the point-dipole model. Our findings resolve a discrepancy between measurement and theory in previous work on “pinwheel” ASIs and establish the coupling dependence of the AFM-FM transition. The revised dipole model, with a more accurate representation of the stray field, offers more precise control of magnetic order in artificial spin systems.

Artificial spin ice↗

DOE OSTI2020

The SONATA data format for efficient description of large-scale network models

Increasing availability of comprehensive experimental datasets and of high-performance computing resources are driving rapid growth in scale, complexity, and biological realism of computational models in neuroscience. To support construction and simulation, as well as sharing of such large-scale models, a broadly applicable, flexible, and high-performance data format is necessary. To address this need, we have developed the Scalable Open Network Architecture TemplAte (SONATA) data format. It is designed for memory and computational efficiency and works across multiple platforms. The format represents neuronal circuits and simulation inputs and outputs via standardized files and provides much flexibility for adding new conventions or extensions. SONATA is used in multiple modeling and visualization tools, and we also provide reference Application Programming Interfaces and model examples to catalyze further adoption. SONATA format is free and open for the community to use and build upon with the goal of enabling efficient model building, sharing, and reproducibility.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2022

Isotherm Modeling and Techno-Economic Analysis of Contactor Technologies for New Tetraamine-Appended MOF for NGCC Applications

Recently, a family of tetraamine-functionalized metal-organic frameworks (MOF) has been reported as promising sorbent materials for capturing CO2 from flue gas conditions relevant to natural gas combined cycle (NGCC) applications. The main advantages of these materials are their two-step cooperative CO2 adsorption, which gives rise to unusual two step-shaped CO2 adsorption profiles and their high thermal stability. This work presents the modelling of the two-transition isotherm of the tetraamine-appended MOF, N,N'-bis(3-aminopropyl)-1,4-diaminobutane (3-4-3)-appended Mg2(dobpdc), and the techno-economic analysis (TEA) of carbon capture processes utilizing this sorbent. Due to the unusual isotherm shapes of the experimental CO2 adsorption data for tetraamine-appended Mg2(dobpdc) and the strong nonlinearity of CO2 loading with respect to temperature and pressure, we tested two different models which use logistic functions for representing the different isotherm behaviors in the different pressure ranges. The first model uses the quadratic isotherm model in the low-pressure region, the Langmuir isotherm model in the middle pressure range, and the dual site Langmuir isotherm model in the high-pressure range. To model the transition between regions we used the arctangent functions independent of temperature and the thermal effect was accounted by using the Clausius-Clapeyron relation]. The second model is an extension of the weighted dual-site Langmuir isotherm model presented by Hughes et al.. In this extended model, the dual-site Langmuir isotherm is employed in the three transition regions, using temperature-dependent logistic functions to activate or deactivate the isotherm model in the low, middle, and high-pressure ranges. Both models fit the experimental data quite well with root mean squared errors (RMSE’s) of 0.41 and 0.17 for model 1 and model 2, respectively. Since model 2 resulted in a lower RMSE, it was leveraged for the development of the gas/solid contactor models used by the TEA. Specifically, two different contactor models, an axial-flow fixed bed and moving bed contactor, were developed as part of this work. These models are dynamic, pressure-driven, and consist of mass, energy, and momentum conservation equations. A kinetic model was also developed by performing parameter estimation using experimental fixed bed breakthrough data. These models are then used to simulate CO2 capture processes from the flue gas generated from a ~600 gross MW NGCC power plant. A cost model was developed which considers the capital cost of the reactors and the significant operating costs such as steam and electricity. Using NETL’s Framework for the Optimization and Quantification of Uncertainty of Uncertainty and Surrogates tool (FOQUS), which has the capability of linking models built using numerous modelling platforms with derivative-free optimization solvers, a techno-economic optimization of the carbon capture processes was performed which minimizes the cost of capture.

Caballero, Daison↗

DOE OSTI2023

Iron at the Air-Sea Interface (Final Report)

Workshop: Seventy-four scientists from twenty-three countries registered to participate and to present their experimental, modeling, and remote sensing studies related to atmospheric supply and speciation of aerosol iron (Fe), its contribution to the dissolved Fe inventory of the ocean, and its potential impacts on primary production and CO 2 uptake. Due to travel restrictions related to the ongoing pandemic, the meeting was conducted in a hybrid mode. The in-person portion of the meeting was held in Asheville, North Carolina and the online participants were able to join using two streaming platforms. The objective of this workshop was to address the most urgent open science questions for improved quantification of Fe at the air-sea interface. Iron is required for the growth of phytoplankton. The availability of iron can limit the growth of phytoplankton and thus the overall productivity of the marine ecosystem. Therefore, the atmospheric supply of iron to the surface oceans may play a key role in regulating biological productivity, atmospheric carbon dioxide (CO 2 ) concentrations, and possibly climate.

54 ENVIRONMENTAL SCIENCES↗

NASA NTRS1980

Shuttle-era experiments in the area of plasma flow interactions with bodies in space

A new experimental approach is discussed that can be adopted for studies in the area of plasma flow interactions with bodies in space. The potential use of the Space Shuttle/Orbiter as a near-earth plasma laboratory for studies in space plasma physics and particularly in solar system plasmas is discussed. This new experimental approach holds great promise for studies in the supersonic and sub-Alfvenic flow regime which has applications to the motion of natural satellites around their mother planets in the solar-system (e.g., the satellite Io around the planet Jupiter). A well conceived experimental and theoretical program can lead to a better physical understanding regarding the validity and range of applicability of using gasdynamic, kinetic, and fluid approaches in describing collisionless plasma flow interactions with bodies in a variety of flow regimes. In addition to the above scientific aspects of the program, significant technological advances can be achieved regarding the interaction of space probes in planetary atmospheres/ionospheres and the reliability of using various plasma diagnostic devices on board spacecraft and large space platforms.

Samir, U.↗

NASA NTRS2014

Recent Successes and Future Plans for NASA's Space Communications and Navigation Testbed on the International Space Station

Flexible and extensible space communications architectures and technology are essential to enable future space exploration and science activities. NASA has championed the development of the Space Telecommunications Radio System (STRS) software defined radio (SDR) standard and the application of SDR technology to reduce the costs and risks of using SDRs for space missions, and has developed an on-orbit testbed to validate these capabilities. The Space Communications and Navigation (SCaN) Testbed (previously known as the Communications, Navigation, and Networking reConfigurable Testbed (CoNNeCT)) is advancing SDR, on-board networking, and navigation technologies by conducting space experiments aboard the International Space Station. During its first year(s) on-orbit, the SCaN Testbed has achieved considerable accomplishments to better understand SDRs and their applications. The SDR platforms and software waveforms on each SDR have over 1500 hours of operation and are performing as designed. The Ka-band SDR on the SCaN Testbed is NASAs first space Ka-band transceiver and is NASA's first Ka-band mission using the Space Network. This has provided exciting opportunities to operate at Ka-band and assist with on-orbit tests of NASA newest Tracking and Data Relay Satellites (TDRS). During its first year, SCaN Testbed completed its first on-orbit SDR reconfigurations. SDR reconfigurations occur when implementing new waveforms on an SDR. SDR reconfigurations allow a radio to change minor parameters, such as data rate, or complete functionality. New waveforms which provide new capability and are reusable across different missions provide long term value for reconfigurable platforms such as SDRs. The STRS Standard provides guidelines for new waveform development by third parties. Waveform development by organizations other than the platform provider offers NASA the ability to develop waveforms itself and reduce its dependence and costs on the platform developer. Each of these new waveforms requires a waveform build environment for the particular SDR, helps assess the usefulness of the platform provider documentation, and exercises the objectives of STRS Standard and the SCaN Testbed. There is considerable interest in conducting experiments using the SCaN Testbed from NASA, academia, commercial companies, and other space agencies. There are approximately 25 experiments or activities supported by the project underway or in development, with more proposals ready, as time and funding allow, and new experiment solicitations available. NASA continues development of new waveforms and applications in communications, networking, and navigation, the first university experimenters are beginning waveform development, which will support the next generation of communications engineers, and international interest is beginning with space agency partners from European Space Agency (ESA) and the Centre National d'Etudes Spatiales (CNES). This paper will provide an overview of the SCaN Testbed and discuss its recent accomplishments and experiment activities.Its recent successes in Ka-band operations, reception of the newest GPS signals, SDR reconfigurations, and STRS demonstration in space when combined with the future experiment portfolio have positioned the SCaN Testbed to enable future space communications and navigation capabilities for exploration and science.

SOFTWARE DEFINED RADIO↗

NASA NTRS2009

A Systems Approach to Lower Cost Missions: Following the Rideshare Paradigm

Small-satellite rideshare capabilities and opportunities for low-cost access to space have been evolving over the past 10 years. Small space launch vehicle technology is rapidly being developed and demonstrated, including the Minotaur series and the Space X Falcon, among others, along with the lower cost launch facilities at Alaska's Kodiak Launch Complex, NASA's Wallops Flight Facility, and the Reagan Test Site in the Pacific. Demonstrated capabilities for the launch of multiple payloads have increased (and continue to increase) significantly. This will allow more efficient and cost-effective use of the various launch opportunities, including utilizing the excess capacity of the emerging Evolved Expendable Launch Vehicle (EELV)-based missions. The definition of standardized interfaces and processes, along with various user guides and payload implementation plans, has been developed and continues to be refined. Top-level agency policies for the support of low-cost access to space for small experimental payloads, such as the DoD policy structure on auxiliary payloads, have been defined and provide the basis for the continued refinement and implementation of these evolving technologies. Most importantly, the coordination and cooperative interfaces between the various stakeholders continues to evolve. The degree of this coordination and technical interchange is demonstrated by the wide stakeholder participation at the recent 2008 Small Payload Rideshare Workshop, held at NASA's Wallops Flight Facility. This annual workshop has been the major platform for coordination and technical interchange within the rideshare community and with the various sponsoring agencies. These developments have provided the foundation for a robust low-cost small payload rideshare capability. However, the continued evolution, sustainment, and utilization of these capabilities will require continued stakeholder recognition, support, and nourishing. Ongoing, coordinated effort, partnering, and support between stakeholders is essential to acquire the improved organizational processes and efficiencies required to meet the needs of the growing small payload community for low-cost access to space. Further, a mix of capabilities developed within the space community for Operationally Responsive Space, an international committee investigating space systems cross-compatibility, and an industry-based organization seeking small satellite "standardization" all work toward a new paradigm: sharing or leveraging resources amongst multiple users. The challenge: where are those users, and what is the best way to leverage them? What is leveraged-mass, power, cost-sharing? And how does one sort through these options? What policies may prevent the use of some options? Who are the "other users" that might share or leverage capabilities? This paper presents a systematic look at both the users and the launch options, and suggests a way forward.

access to space↗

DOE OSTI2023

Direct observation of 3D topological spin textures and their interactions using soft x-ray vector ptychography

Magnetic topological defects are energetically stable spin configurations characterized by symmetry breaking. Vortices and skyrmions are two well-known examples of 2D spin textures that have been actively studied for both fundamental interest and practical applications. However, experimental evidence of the 3D spin textures has been largely indirect or qualitative to date, due to the difficulty of quantitively characterizing them within nanoscale volumes. Here, we develop soft x-ray vector ptychography to quantitatively image the 3D magnetization vector field in a frustrated superlattice with 10 nm spatial resolution. By applying homotopy theory to the experimental data, we quantify the topological charge of hedgehogs and anti-hedgehogs as emergent magnetic monopoles and probe their interactions inside the frustrated superlattice. We also directly observe virtual hedgehogs and anti-hedgehogs created by magnetically inert voids. We expect that this new quantitative imaging method will open the door to study 3D topological spin textures in a broad class of magnetic materials. Our work also demonstrates that magnetically frustrated superlattices could be used as a new platform to investigate hedgehog interactions and dynamics and to exploit optimized geometries for information storage and transport applications.

Rana, A↗

DOE OSTI2025

Autonomous platform for solution processing of electronic polymers

The manipulation of electronic polymers’ solid-state properties through processing is crucial in electronics and energy research. Yet, efficiently processing electronic polymer solutions into thin films with specific properties remains a formidable challenge. We introduce Polybot, an artificial intelligence (AI) driven automated material laboratory designed to autonomously explore processing pathways for achieving high-conductivity, low-defect electronic polymers films. Leveraging importance-guided Bayesian optimization, Polybot efficiently navigates a complex 7-dimensional processing space. In particular, the automated workflow and algorithms effectively explore the search space, mitigate biases, employ statistical methods to ensure data repeatability, and concurrently optimize multiple objectives with precision. The experimental campaign yields scale-up fabrication recipes, producing transparent conductive thin films with averaged conductivity exceeding 4500 S/cm. Feature importance analysis and morphological characterizations reveal key design factors. This work signifies a significant step towards transforming the manufacturing of electronic polymers, highlighting the potential of AI-driven automation in material science.

Wang, Chengshi [Argonne National Laboratory (ANL),↗

DOE OSTI2026

Phase Diagrams and Piezoelectric Properties of Wurtzite Al1-x-yScxGdyN Heterostructural Alloys

Ternary nitride alloys based on wurtzite AlN are a promising platform to realize functional materials, particularly ferroelectrics and optical emitters, that can smoothly integrate with conventional microelectronics. Here, a strategic design is presented to enable multifunctional materials by substituting multiple elements into AlN to create quaternary nitride alloys. By combining computational predictions and combinatorial thin film synthesis, the phase diagram of these quaternary Al-Sc-Gd-N alloys (or pseudo-ternary heterostructural AlN-ScN-GdN alloys) is successfully predicted as a function of effective temperature, and we experimentally grow Al1-x-xScxGdyN thin films for the first time. It is revealed that Al1-x-xScxGdyN crystallizes in a wurtzite-derived structure for X + y <~ 0.35, consistent with the calculated phase diagram. The computational investigation explores whether co-substitution induces cooperative effects on these alloys' piezoelectric and ferroelectric properties, finding that it is beneficial for reducing the polarization switching barrier. We calculate that Al1-x-xScxGdyN thin films should display ferroelectric switching. This is supported by our experimental measurements of a high optical bandgap, enhanced piezoelectric coefficient, and a change in the calculated polarization switching mechanism, and we achieve preliminary ferroelectric switching that experimentally realizes the prediction. Overall, our work sets the foundation toward quaternary wurtzite-nitride-based multifunctional materials, including piezoelectrics, ferroelectrics, and possibly even multiferroics.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Topological monopole's gauge field‐induced anomalous Hall effect in artificial honeycomb lattice

Abstract Vortex magnetic structure in artificial honeycomb lattice provides a unique platform to explore emergent properties due to the additional Berry phase curvature imparted by chiral magnetization to circulating electrons via direct interaction. We argue that while the perpendicularly aligned magnetic component leads to the quantized flux of monopole at the center of the Berry sphere, the in‐plane vortex circulation of magnetization gives rise to unexpected nontrivial topological Berry phase due to the gauge field transformation. The unprecedented effect signifies the importance of vector potential in multiply connected geometrical systems. Experimental confirmations to proposed hypotheses are obtained from Hall resistance measurements on permalloy honeycomb lattice. Investigation of the topological gauge transformation due to the in‐plane chirality reveals anomalous quasi‐oscillatory behavior in Hall resistance as a function of perpendicular field. The oscillatory nature of is owed to the fluctuation in equilibrium current as a function of Fermi wave‐vector , envisaged under the proposed new formulation in this article. Our synergistic approach suggests that artificially tunable nanostructured material provides new vista to the exploration of topological phenomena of strong fundamental importance. Key Points Demonstration of gauge field flux due to vortex magnetism. Anomalous Hall effect in magnetic honeycomb lattice. Topological monopole‐induced magnetic flux.

Guo, Jiasen↗

DOE OSTI2022

Superconductor/Ferromagnet Heterostructures: A Platform for Superconducting Spintronics and Quantum Computation

The interplay between superconductivity and ferromagnetism in the superconductor/ferromagnet (SC/FM) heterostructures generates many interesting physical phenomena, including spin-triplet superconductivity, superconducting order parameter oscillation, and topological superconductivity. The unique physical properties make the SC/FM heterostructure as promising platforms for future superconducting spintronics and quantum computation applications. In this article, important research progress of SC/FM heterostructures from superconducting spintronics to quantum computation is reviewed, and it is organized as follows. First, the progress of spin current carriers in SC/FM heterostructures including Bogoliubov quasiparticles, superconducting vortex, and spin-triplet Cooper pairs which might be used for long-range spin transport is discussed. Then, the π Josephson junctions and their application for constructing π qubits are described. Finally, experimental signatures of Majorana states in the SC/FM heterostructures and the theoretically proposed manipulation are briefly reviewed, which could be useful to realize fault-tolerant topological quantum computing.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

DOE OSTI2024

Reconfigurable unitary transformations of optical beam arrays

Spatial transformations of light are ubiquitous in optics, with examples ranging from simple imaging with a lens to quantum and classical information processing in waveguide meshes. Multi-plane light converter (MPLC) systems have emerged as a platform that promises completely general spatial transformations, i.e., a universal unitary. However, until now, MPLC systems have demonstrated transformations that are far from general, e.g., converting from a Gaussian to Laguerre-Gauss mode. Here, we demonstrate the promise of an MLPC, the ability to impose an arbitrary unitary transformation that can be reconfigured dynamically. Specifically, we consider transformations on superpositions of parallel free-space beams arranged in an array, which is a common information encoding in photonics. We experimentally test the full gamut of unitary transformations for a system of two parallel beams and make a map of their fidelity. We obtain an average transformation fidelity of 0.85 ± 0.03. This high-fidelity suggests that MPLCs are a useful tool for implementing the unitary transformations that comprise quantum and classical information processing.

47 OTHER INSTRUMENTATION↗

DOE OSTI2025

Immersive Digital Twin Laboratory for Engineering Education (CRADA Final Report)

This project aimed to create an immersive digital twin laboratory that incorporates advanced tracking and visualization capabilities. In collaboration with Fort Lewis College, NREL designed a state-of-the-art physical visualization laboratory, developed a software platform to enable interaction with tracked physical objects in the laboratory, and provided proof-of-concept curricula that included manipulating these tracked objects. The project was initiated to address the growing need for innovative educational tools in engineering education. As renewable energy systems, particularly solar installations, become more complex, there is a pressing need to bridge the gap between theoretical knowledge and practical application. Traditional methods of teaching solar engineering concepts often fall short of providing students with a comprehensive, hands-on understanding. This immersive digital twin laboratory was conceived to fill that gap by creating a safe, non-energized setting where students can interact with augmented solar installation objects, gaining valuable insights into system performance, design, and maintenance. The project utilized extended reality (XR) technologies, including head-mounted displays (HMDs) and a whole-room optical motion tracking system, to connect physical objects with their digital twins in real time. The laboratory was equipped with MagicLeap 2 HMDs, supported by a Vicon Vero 2.2 Optical Tracking System, which provided precise 6-degrees-of-freedom (6-DOF) tracking. We developed a software platform to manage the interaction between the tracked physical objects and their virtual counterparts, enabling real-time data synchronization, object recognition, and virtual overlays. We designed the system to be flexible and extendable, allowing for future integration of additional objects and curriculum. This research advances the field of engineering education by demonstrating the potential of immersive digital twin environments. The laboratory provides a dynamic learning space where students can experiment, collaborate, and learn without the risks associated with live experimentation. The ability to simulate and manipulate solar installation objects under various conditions has broad implications for workforce development, particularly in renewable energy. The project also highlights the economic feasibility of using XR technologies in educational settings, offering a cost-effective solution for institutions looking to enhance their curriculum. By fostering a deeper understanding of solar energy systems, this work contributes to the broader goal of supporting the global energy transition and preparing the next generation of engineers and technicians.

24 POWER TRANSMISSION AND DISTRIBUTION↗

NASA NTRS2010

Design and Testing of a Prototype Lunar or Planetary Surface Landing Research Vehicle (LPSLRV)

This handbook describes a two-semester senior design course sponsored by the NASA Office of Education, the Exploration Systems Mission Directorate (ESMD), and the NASA Space Grant Consortium. The course was developed and implemented by the Mechanical and Aerospace Engineering Department (MAE) at Utah State University. The course final outcome is a packaged senior design course that can be readily incorporated into the instructional curriculum at universities across the country. The course materials adhere to the standards of the Accreditation Board for Engineering and Technology (ABET), and is constructed to be relevant to key research areas identified by ESMD. The design project challenged students to apply systems engineering concepts to define research and training requirements for a terrestrial-based lunar landing simulator. This project developed a flying prototype for a Lunar or Planetary Surface Landing Research Vehicle (LPSRV). Per NASA specifications the concept accounts for reduced lunar gravity, and allows the terminal stage of lunar descent to be flown either by remote pilot or autonomously. This free-flying platform was designed to be sufficiently-flexible to allow both sensor evaluation and pilot training. This handbook outlines the course materials, describes the systems engineering processes developed to facilitate design fabrication, integration, and testing. This handbook presents sufficient details of the final design configuration to allow an independent group to reproduce the design. The design evolution and details regarding the verification testing used to characterize the system are presented in a separate project final design report. Details of the experimental apparatus used for system characterization may be found in Appendix F, G, and I of that report. A brief summary of the ground testing and systems verification is also included in Appendix A of this report. Details of the flight tests will be documented in a separate flight test report. This flight test report serves as a complement to the course handbook presented here. This project was extremely ambitious, and achieving all of the design and test objectives was a daunting task. The schedule ran slightly longer than a single academic year with the complete design closure not occurring until early April. Integration and verification testing spilled over into late May and the first flight did not occur until mid to late June. The academic year at Utah State University ended on May 8, 2010. Following the end of the academic year, testing and integration was performed by the faculty advisor, paid research assistants, and volunteer student help

Murphy, Gloria A.↗

DOE OSTI2026

A New Platform for Twistronics: Perovskite Moiré Superlattices Beyond van der Waals

Moiré superlattices have reshaped condensed‐matter physics by enabling twist‐angle engineering of electronic and excitonic states, traditionally in van der Waals (vdW) systems. This Perspective focuses on perovskites as a transformative non‐van der Waals (non‐vdW) platform for twistronics. These materials are distinguished by ionic‐covalent bonding and soft octahedral lattices that support deep moiré potentials (≈100–200 meV), which in turn yield bright, room‐temperature excitons and tunable quantum phenomena. We organize recent advances into two core classes: (i) moiré superlattices constructed from 2D Ruddlesden‐Popper (RP) perovskites via spontaneous or guided twisted stacking; and (ii) moiré architectures in 3D perovskite lamellae, achieved through topotactic 2D RP‐to‐3D conversion and ligand‐induced self‐assembly. Key experimental observations in these systems include twist‐tunable moiré periods, suppressed exciton–exciton annihilation, flat band‐like transport, and ferroelectric vortex lattices in their oxide perovskite counterparts. Here, we outline key bottlenecks, including defects arising during phase conversion, stringent lattice‐matching requirements, and the absence of in situ twist metrology, and highlight opportunities in lattice‐mismatched heterostructures and multifunctional quantum‐optoelectronic devices. Collectively, these advances establish perovskite moiré systems as a critical bridge between fundamental moiré physics and room‐temperature technological applications.

2D Ruddlesden–Popper perovskites↗

DOE OSTI2020

Too Many Materials and Too Many Applications: An Experimental Problem Waiting for a Computational Solution

Finding the best material for a specific application is the ultimate goal of materials discovery. However, there is also the reverse problem: when experimental groups discover a new material, they would like to know all the possible applications this material would be promising for. Computational modeling can aim to fulfill this expectation, thanks to the sustained growth of computing power and the collective engagement of the scientific community in developing more efficient and accurate workflows for predicting materials' performances. We discuss the impact that reproducibility and automation of the modeling protocols have on the field of gas adsorption in nanoporous crystals. We envision a platform that combines these tools and enables effective matching between promising materials and industrial applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2026

Chiral superconductivity from a parent Chern band and its non-Abelian generalization

Here, we propose a minimal model starting from a parent Chern band with quartic dispersion that can describe the spin-valley polarized electrons in rhombohedral tetralayer graphene. The interplay between repulsive and attractive interactions on top of that parent Chern band is studied. We conduct standard self-consistent mean-field calculations, and find a rich phase diagram that consists of metal, quantum anomalous Hall crystal, chiral topological superconductor, as well as trivial gapped Bose-Einstein condensate. In particular, there exists a topological phase transition from the chiral superconductor to the Bose-Einstein condensate at zero temperature. Motivated by the recent experimental and theoretical studies of composite Fermi liquid in rhombohedral stacked multilayer graphene, we further generalize the physical electron model to its composite fermion counterpart based on a field theory analysis. The chiral superconductor phase of the composite fermion becomes the non-abelian Moore-Read quantum Hall phase. We argue that a chiral (pseudo-)spin liquid phase can emerge in the vicinity of this Moore-Read quantum Hall phase. Our work suggests rhombohedral multilayer graphene as a potential platform for rich correlated topological phases.

Wang, Yan-Qi [University of Maryland, College Park↗