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At least 613 records · Page 34

Pattern-Recognition System for Approaching a Known Target

A closed-loop pattern-recognition system is designed to provide guidance for maneuvering a small exploratory robotic vehicle (rover) on Mars to return to a landed spacecraft to deliver soil and rock samples that the spacecraft would subsequently bring back to Earth. The system could be adapted to terrestrial use in guiding mobile robots to approach known structures that humans could not approach safely, for such purposes as reconnaissance in military or law-enforcement applications, terrestrial scientific exploration, and removal of explosive or other hazardous items. The system has been demonstrated in experiments in which the Field Integrated Design and Operations (FIDO) rover (a prototype Mars rover equipped with a video camera for guidance) is made to return to a mockup of Mars-lander spacecraft. The FIDO rover camera autonomously acquires an image of the lander from a distance of 125 m in an outdoor environment. Then under guidance by an algorithm that performs fusion of multiple line and texture features in digitized images acquired by the camera, the rover traverses the intervening terrain, using features derived from images of the lander truss structure. Then by use of precise pattern matching for determining the position and orientation of the rover relative to the lander, the rover aligns itself with the bottom of ramps extending from the lander, in preparation for climbing the ramps to deliver samples to the lander. The most innovative aspect of the system is a set of pattern-recognition algorithms that govern a three-phase visual-guidance sequence for approaching the lander. During the first phase, a multifeature fusion algorithm integrates the outputs of a horizontal-line-detection algorithm and a wavelet-transform-based visual-area-of-interest algorithm for detecting the lander from a significant distance. The horizontal-line-detection algorithm is used to determine candidate lander locations based on detection of a horizontal deck that is part of the lander.

Huntsberger, Terrance↗

Astrodynamics Convention and Modeling Reference for Lunar, Cislunar, and Libration Point Orbits

The purpose and direction of this document is to provide U.S. government agencies, specifically National Aeronautics and Space Administration (NASA) and Department of Defense (DoD) space related centers, with a foundational summary of astrodynamics concepts for trajectory design, navigation, and operations in the cislunar, lunar, and libration point regions. This document is provided in response to an Interagency Agreement (IAA) between NASA and the National Geospatial-Intelligence Agency (NGA). With applications to these regions of the Earth-Moon system, this document summarizes: the definitions of standard and unique coordinate systems for Positioning, Navigation, Timing and targeting (PNT), transformations between those coordinate frames, definitions of common time systems, a description of numerical integration, description of a widely-used and approximate dynamical model of a three-body system for preliminary analysis and nomenclature definition, description of higher-fidelity models of cislunar space, and the application of these concepts to sample scenarios with a focus on common steps in trajectory and maneuver design for a spacecraft in cislunar space. This information is critical to mission design and navigation far above the geosynchronous orbit region, where lunar perturbations are required to be modeled accurately and consistently but render trajectory design and analysis a complex procedure. Software tools such as the Goddard Space Flight Center (GSFC) open source General Mission Analysis Tool (GMAT) is used as a reference, along with a wide variety of resources constructed by NASA and other government agencies, academia, and industry, for mathematical specifications and practical considerations. This document has been prepared by and under the auspices of NASA. The GSFC Mission Engineering and Systems Analysis (MESA) Division (Code 590) and the Navigation and Mission Design Branch (Code 595) are part of NASA. Their engineers and scientists have expertise in lunar, cislunar, and libration point region trajectory guidance and navigation and timing. NASA GSFC has supported many successful lunar and cislunar missions over the past several decades. These missions include the Lunar Reconnaissance Orbiter (LRO), the two Acceleration, Reconnection, Turbulence and Electrodynamics of the Moon’s Interaction with the Sun (ARTEMIS) spacecraft, Transiting Exoplanet Survey Satellite (TESS), Lunar Prospector, Lunar Crater Observation and Sensing Satellite (LCROSS), Clementine, and several Sun-Earth libration point missions such as WIND and Deep Space Climate Observatory (DSCOVR), dating back four decades. NASA GSFC also supports the upcoming Gateway lunar mission, the Artemis Lunar Program and Human Landing Systems, and leads both the Lunar IceCube low thrust mission and concept design for the Lunar Communication Relay and Navigation System (LCRNS).

Lunar, CisLunar, Libration, trajectory dynamics, p↗

Science Uses Deployment Operations-Advanced Wireless: Exploring Open Radio Access Network Technologies for Energy Science

Open Radio Access Network is emerging as a solution to the increasing demand for more flexible, cost-effective, and advanced mobile network infrastructures. This evolution is driven by advancements in wireless technologies and the growing complexity of deploying and managing these networks. O-RAN represents a significant shift in wireless technology, building upon the 3rd Generation Partnership Project framework to foster openness, flexibility, and interoperability. By decoupling hardware and software components, Open Radio Access Network enables a multi-vendor ecosystem that encourages innovation and diverse solutions. Open Radio Access Network's potential extends beyond traditional wireless applications, with growing interest in its role in advancing energy systems, particularly in the context of smart grids, microgrids, and the integration of renewable energy sources. While the role of open-wireless technologies in driving energy transformation is increasingly recognized, further exploration is needed. Vendors and utilities are investigating how Open Radio Access Network technologies can optimize energy use cases and improve the performance of 5G and beyond applications. This report outlines efforts under the Science Uses Deployment Operations Advance Wireless project, a collaboration between the National Laboratory of the Rockies' Cybersecurity Research Center, Argonne National Laboratory, Lawrence Berkeley National Laboratory, and the Department of Energy's Energy Science Network research and operations staff. The focus of this project is on due diligence, through testing and evaluation, preparing for the deployment of advanced wireless infrastructure for scientific use cases, with an emphasis on Open Radio Access Network technology, its components, integrations, and its ability to support vertical stack application across the energy sector. Additionally, the report highlights the value cases for utilities, underscoring how adopting open wireless standards can accelerate the evolution of energy systems, foster innovation, and improve the integration of critical energy technologies.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Accurate and efficient open-source implementation of domain-based local pair natural orbital (DLPNO) coupled-cluster theory using a t1-transformed Hamiltonian

We present an efficient, open-source formulation for coupled-cluster theory through perturbative triples with domain-based local pair natural orbitals [DLPNO-CCSD(T)]. Similar to the implementation of the DLPNO-CCSD(T) method found in the ORCA package, the most expensive integral generation and contraction steps associated with the CCSD(T) method are linear-scaling. In this work, we show that the t1-transformed Hamiltonian allows for a less complex algorithm when evaluating the local CCSD(T) energy without compromising efficiency or accuracy. Our algorithm yields sub-kJ mol−1 deviations for relative energies when compared with canonical CCSD(T), with typical errors being on the order of 0.1 kcal mol−1, using our TightPNO parameters. We extensively tested and optimized our algorithm and parameters for non-covalent interactions, which have been the most difficult interaction to model for orbital (PNO)-based methods historically. To highlight the capabilities of our code, we tested it on large water clusters, as well as insulin (787 atoms).

Chemistry↗

Transformational Spaceport and Range Concept of Operations: A Vision to Transform Ground and Launch Operations

The Transformational Concept of Operations (CONOPS) provides a long-term, sustainable vision for future U.S. space transportation infrastructure and operations. This vision presents an interagency concept, developed cooperatively by the Department of Defense (DoD), the Federal Aviation Administration (FAA), and the National Aeronautics and Space Administration (NASA) for the upgrade, integration, and improved operation of major infrastructure elements of the nation s space access systems. The interagency vision described in the Transformational CONOPS would transform today s space launch infrastructure into a shared system that supports worldwide operations for a variety of users. The system concept is sufficiently flexible and adaptable to support new types of missions for exploration, commercial enterprise, and national security, as well as to endure further into the future when space transportation technology may be sufficiently advanced to enable routine public space travel as part of the global transportation system. The vision for future space transportation operations is based on a system-of-systems architecture that integrates the major elements of the future space transportation system - transportation nodes (spaceports), flight vehicles and payloads, tracking and communications assets, and flight traffic coordination centers - into a transportation network that concurrently accommodates multiple types of mission operators, payloads, and vehicle fleets. This system concept also establishes a common framework for defining a detailed CONOPS for the major elements of the future space transportation system. The resulting set of four CONOPS (see Figure 1 below) describes the common vision for a shared future space transportation system (FSTS) infrastructure from a variety of perspectives.

Source record↗

A Model-Based Systems Engineering Journey to Developing a Concept of Operations

Starting in 2017, NASA’s Human Research Program (HRP) Exploration Medical Capability (ExMC) element began a systems engineering transition from traditional, document-centric development to model-centric development when defining its foundation medical systems. These foundation medical systems define a Concept of Operations (ConOps) and identify the generic requirements for a medical system based on assumptions about a generic crew and mission environments and guidance from NASA standards (e.g., Medical “Levels of Care”). By making the transition, ExMC intends to improve communication among stakeholders about foundation medical system requirements and content. In addition, this transition will enable ExMC to lower both development and crew treatment risks for future, mission-specific medical systems. ExMC followed a Model Based Systems Engineering (MBSE) paradigm when developing the foundation medical systems. A model-based approach provides several advantages over a traditional, document-centric approach. First, when Systems Engineers (SE) develop diagrams in a model using a standard modeling language, they produce information dense pictures that facilitate understanding much more efficiently with less room for misinterpretation than text. Second, due to the evolving nature of projects, documentation becomes out of date the minute it is published. This can result in people making decisions based on information that is no longer current, especially if they are referencing a locally-stored copy of a document. A model, on the other hand, is always up to date with the latest approved changes and information. It serves as a single point of truth. Third, a model-centric approach centralizes all important information in one place. Rather than having to flip through separate ConOps documents, design specifications, requirements specifications, and the like to coordinate information, a model captures the content in one, integrated spot. This integration makes tracing information from end-to-end easier with greater reliability. The ExMC Systems Engineering Lifecycle follows a well-defined process. ExMC Systems Engineers perform all major steps of the process, regardless of the development methodology. One of the first steps in the process is developing the ConOps that describes the operation of the system from the point of view of the users. It includes a list of the users and their needs, the goals of the medical system, key assumptions about the system, and definitions of the medical system’s operational environments. For this development effort, ExMC chose to replace the traditional text-based ConOps document with a model. While the decision to change the development workflow was not difficult, implementing the structural and organizational workflows were. It required showing ExMC’s users, most of whom are not Systems Engineers, how the information they require would be presented in the model and to gain their acceptance of this approach. This paper documents key lessons learned during the ConOps transformation by focusing on how the model represents information, the agile workflow used by SEs when developing the model and how it integrates into a project plan, how leadership influenced key users to accept the transformation, and how the users interact with the model information.

Jeffrey Robert Cohen↗

Integrating Carbon Capture, Utilization, & Sequestration into Chemical Pulp Mills

The U.S. pulp and paper industry presents a unique and largely untapped opportunity for large- scale carbon dioxide removal (CDR). Unlike most industrial sectors, pulp mills rely heavily on biomass, meaning that much of their carbon emissions originate from atmospheric CO₂ that was recently captured by plants. If this biogenic CO₂ can be captured and permanently stored, pulp mills can be transformed from carbon emitters into net carbon removal facilities. This project was motivated by that opportunity and aimed to develop and evaluate integrated, low-cost strategies for capturing, utilizing, and sequestering CO₂ within existing chemical pulping operations. The scope of this work focused on four complementary innovations designed to integrate seamlessly into kraft pulp mill infrastructure: (1) in situ CO₂ capture within the recovery cycle, (2) oxy-fuel retrofitting of the rotary lime kiln to produce a high-purity CO₂ stream, (3) ex situ CO₂ capture and mineralization using pulp mill residues (dregs, grits, and lime mud), and (4) beneficial reuse of these residues as mineral carbonate fertilizers. The project combined process modeling, laboratory experimentation, life cycle assessment (LCA), and field trials to evaluate the technical feasibility, economic viability, and environmental impact of these approaches. The results demonstrate that pulp mills can serve as effective platforms for carbon removal when equipped with integrated carbon capture systems. Process modeling showed that combining sodium spiking with oxy-fuel calcination significantly enhances CO₂ capture efficiency while reducing costs by up to 31% compared to conventional configurations. Experimental work further revealed that calcination behavior in high-CO₂ environments differs substantially from traditional systems, leading to the development of a new kinetic model that predicts reaction rates under these conditions. This model provides essential design guidance for next-generation decarbonized lime kilns. In parallel, the project demonstrated that alkaline mineral residues generated during pulping operations can be repurposed as a sustainable alternative to agricultural lime. Across a wide range of soils in the southeastern United States, these materials performed equivalently to commercial lime in adjusting soil pH while offering lower greenhouse gas emissions and reduced cost. Field and greenhouse studies confirmed that crop and tree growth responses were comparable, supporting their viability as a drop-in replacement. This co-product pathway provides a practical utilization strategy that offsets costs and improves overall system economics. A major contribution of this project is the first comprehensive life cycle assessment of carbon removal in pulp and paper systems across multiple system boundaries. Results show that retrofitted mills can achieve carbon removal efficiencies ranging from 12% to 92%, depending on how the system is defined. This finding highlights a critical issue in carbon accounting: reported performance is highly sensitive to methodological choices. By explicitly quantifying these differences, this work provides valuable guidance for policymakers, carbon registries, and project developers working to standardize carbon removal metrics. From a commercialization perspective, the technologies investigated in this project are well- aligned with existing industrial infrastructure, minimizing the need for entirely new facilities. 3 DE-EE0009413 Industry engagement throughout the project—including collaboration with pulp and paper companies, equipment manufacturers, and carbon removal developers—has accelerated the transition from research to deployment. Notably, a commercial developer is actively pursuing carbon capture projects at pulp mills in the southeastern United States and has cited this research as a contributing foundation. The emergence of voluntary carbon markets and long-term offtake agreements further strengthens the business case for implementation. The broader public benefits of this work are significant. By enabling large-scale carbon removal using existing industrial systems, this approach offers a near-term pathway to reduce atmospheric CO₂ concentrations while supporting domestic manufacturing and rural economies. The reuse of industrial residues as fertilizers reduces reliance on mined materials, lowers costs for farmers, and decreases environmental impacts associated with conventional lime production. In addition, the project has supported workforce development by training graduate students and researchers in carbon capture technologies, helping to build capacity in a critical area of national interest. In conclusion, this project demonstrates that integrated carbon capture, utilization, and sequestration in pulp mills is both technically feasible and economically promising. By combining process innovation, experimental validation, and systems-level analysis, the work advances the understanding of how biomass-based industries can contribute to climate mitigation. The findings provide a strong foundation for commercial deployment and offer a scalable solution for transforming a major U.S. industry into a source of durable carbon removal.

09 BIOMASS FUELS↗

Design of an Integrated-System FARAD Thruster

Pulsed inductive plasma accelerators are spacecraft propulsion devices in which energy is stored in a capacitor and then discharged through an inductive coil. The device is electrodeless, inducing a current s heet in a plasma located near the face of the coil. The propellant is accelerated and expelled at a high exhaust velocity (order of 10 km/s) through the interaction of the plasma current and the induced magne tic field, The Faraday Accelerator with RF-Assisted Discharge (FARAD) thruster is a type of pulsed inductive plasma accelerator in which t he plasma is preionized by a mechanism separate from that used to for m the current sheet and accelerate the gas. Employing a separate preionization mechanism allows for the formation of an inductive current s heet at much lower discharge energies and voltages than those used in previous pulsed inductive accelerators like the Pulsed Inductive Thr uster (PIT). In this paper, we present the design of a benchtop FARAD thruster with all the subsystems (mass injection, preionization, and acceleration) integrated into a single unit. Design of the thruster follows the guidelines and similarity performance parameters presented elsewhere. The system is designed to use the ringing, RF-frequency s ignal produced by a discharging Vector Inversion Generator (VIG) to p reionize the gas. The acceleration stage operates on the order of 100 J/pulse and can be driven by several different pulsed powertrains. These include a simple capacitor coupled to the system, a Bernardes and Merryman configuration, and a pulsecompression circuit that takes a temporally broad, low current pulse and transforms it into a short, h igh current pulse. A set of applied magnetic field coils are integrated into the system to guide the preionized propellant as it spreads ov er the face of the inductive acceleration coil. The coils are operate d in a pulsed mode, and the thruster can be operated without using the coils to determine if there is a performance improvement gain realiz ed when an applied field is present.

Polzin, K.A.↗

Radiation and scattering from printed antennas on cylindrically conformal platforms

The goal was to develop suitable methods and software for the analysis of antennas on cylindrical coated and uncoated platforms. Specifically, the finite element boundary integral and finite element ABC methods were employed successfully and associated software were developed for the analysis and design of wraparound and discrete cavity-backed arrays situated on cylindrical platforms. This work led to the successful implementation of analysis software for such antennas. Developments which played a role in this respect are the efficient implementation of the 3D Green's function for a metallic cylinder, the incorporation of the fast Fourier transform in computing the matrix-vector products executed in the solver of the finite element-boundary integral system, and the development of a new absorbing boundary condition for terminating the finite element mesh on cylindrical surfaces.

Kempel, Leo C.↗

2040 Vision Study: an Enlargement of Model Based Engineering

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. As a result, NASA's Transformational Tools and Technology (TTT) Project sponsored a study (performed by a team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This talk will briefly review the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); associated critical gaps and actions to close those gaps; and major recommendations). The study, NASA CR 2018- 219771, envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that marries two non-mutually exclusive paradigms _ "design of the materials" (material scientist viewpoint) and "design with the materials" (structural analyst viewpoint) _ into a concurrent transformational paradigm that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT's hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United States global competitiveness.

Arnold, Steven M.↗

Integrated optical frequency division for microwave and mmWave generation

Abstract The generation of ultra-low-noise microwave and mmWave in miniaturized, chip-based platforms can transform communication, radar and sensing systems 1–3 . Optical frequency division that leverages optical references and optical frequency combs has emerged as a powerful technique to generate microwaves with superior spectral purity than any other approaches 4–7 . Here we demonstrate a miniaturized optical frequency division system that can potentially transfer the approach to a complementary metal-oxide-semiconductor-compatible integrated photonic platform. Phase stability is provided by a large mode volume, planar-waveguide-based optical reference coil cavity 8,9 and is divided down from optical to mmWave frequency by using soliton microcombs generated in a waveguide-coupled microresonator 10–12 . Besides achieving record-low phase noise for integrated photonic mmWave oscillators, these devices can be heterogeneously integrated with semiconductor lasers, amplifiers and photodiodes, holding the potential of large-volume, low-cost manufacturing for fundamental and mass-market applications 13 .

Science & Technology - Other Topics↗

2040 Vision Study: NASA’s T3 Implementation Activities

Over the last few decades, advances in high-performance computing, new materials characterization methods, and, more recently, an emphasis on integrated computational materials engineering (ICME) and additive manufacturing have been a catalyst for multiscale modeling and simulation-based design of materials and structures in the aerospace industry. As a result, NASA’s Transformational Tools and Technology (TTT) Project sponsored a study (performed by a team led by Pratt & Whitney) to define the potential 25-year future state required for integrated multiscale modeling of materials and systems (e.g., load-bearing structures) to accelerate the pace and reduce the expense of innovation in future aerospace and aeronautical systems. This talk will briefly review the findings of this 2040 Vision study (e.g., the 2040 vision state; the required interdependent core technical work areas, Key Element (KE); associated critical gaps and actions to close those gaps; and major recommendations) and discuss NASA’s TTT implementation activities, with special emphasis on recent accomplishments. The study, NASA CR 2018- 219771, envisions the development of a cyber-physical-social ecosystem comprised of experimentally verified and validated computational models, tools, and techniques, along with the associated digital tapestry, that marries two non-mutually exclusive paradigms – “design of the materials” (material scientist viewpoint) and “design with the materials” (structural analyst viewpoint) – into a concurrent transformational paradigm that impacts the entire supply chain to enable cost-effective, rapid, and revolutionary design of fit-for-purpose materials, components, and systems. Although the vision focused on aeronautics and space applications, it is believed that other engineering communities (e.g., automotive, biomedical, etc.) can benefit as well from the proposed framework with only minor modifications. Finally, it is TTT’s hope and desire that this vision provides the strategic guidance to both public and private research and development decision makers to make the proposed 2040 vision state a reality and thereby provide a significant advancement in the United State's global competitiveness

Materials↗

Harnessing the Digital Transformation for Development of Electrified Aircraft Propulsion Control Systems

Hybrid electric aircraft propulsion is an emerging technology that presents a variety of potential benefits along with technical integration challenges. Developing these new propulsion architectures with their complex control systems, and ultimately proving their benefit, is a multistep process. This process includes concept development and analysis, dynamic simulation, hardware-in-the-loop testing, full-scale testing, and so on. This effort is being revolutionized and indeed enabled by new digital tools that support increasing the technology readiness level throughout the maturation process. As part of this Digital Transformation, NASA has developed a suite of publicly available digital tools that facilitate the path from concept to implementation. This paper describes the NASA-developed tools and puts them in the context of control system development for hybrid electric aircraft propulsion. The three MATLAB®-based software packages are the Toolbox for the Modeling and Analysis of Thermodynamic Systems (T-MATS), the Electrical Modeling and Thermal Analysis Toolbox (EMTAT), and the Thermal Systems Analysis Toolbox (TSAT). These tools are interactive, complementary, and compatible with each other. T-MATS is a modular thermodynamic modeling framework designed for creating custom component level models of jet engines. EMTAT is a modeling framework used to simulate a variety of power electronic devices, using both physics-based and power flow calculations. TSAT is a framework for modeling and analysis of dynamic heat transfer. These packages all consist of graphical, drag-and-drop, parameterizable building blocks representing various components of the system to be modeled, e.g., compressors, turbines, motors, energy storage devices, etc. They are designed to enable the user to model and simulate the end-to-end dynamic operation of a hybrid electric gas turbine engine powertrain at the timescale of the turbomachinery, capturing mechanical, electrical, and thermal interactions. This paper demonstrates through multiple examples how these tools have been used successfully in a variety of applications, including several of the early stages of hybrid electric gas turbine engine propulsion system development, from the initial system modeling to real-time interactive pilot-in-the-loop simulation to physical hardware-in-the-loop testing, each step bringing the technology closer to fruition.

hybrid electric propulsion↗

Thermo-mechanical deterioration and molecular degradation of 3D-printed methacrylate-based polymer in various chemical environments

The advancement of additive manufacturing (AM) has accelerated the development of stereolithographic (SLA) photo-curable resins, particularly methacrylate-based polymers, due to the ability to their high-resolution, robust mechanical properties, and suitability. However, their long-term performance in chemical environments remains poorly understood. This study investigates the extent and mechanisms of degradation on an SLA-printed methacrylate-based polymer subjected to various chemicals, including polar and non-polar solvents, as well as strongly acidic aqueous solutions over a 12-week accelerated aging period. A comprehensive analytical approach incorporating swelling kinetics, surface morphology, tensile and dynamic mechanical analysis (DMA), Fourier-transform infrared (FTIR) spectroscopy, and mass spectrometry (MS) was employed to characterize chemical absorption, structural integrity, and leached products. Results reveal that degradation severity is governed by both the polarity and reactivity of the chemical environment. Notably, exposure to 6 mol L -1 HNO₃ induced the most severe deterioration, with over threefold higher swelling compared to other media, and significant reductions in tensile strength, tensile modulus, and glass transition temperature (T g ). In contrast, specimens aged in non-polar solvents (xylene and dodecane) exhibited negligible chemical interaction and retained mechanical performance. FTIR and MS analyses identified acid-catalyzed hydrolysis of ester groups as prominent degradation pathways in acidic media, while diffusion-controlled plasticization prevailed in polar solvents. Furthermore, this study provides valuable insights into the chemical stability of SLA-printed polymers and develops predictive degradation profiles that are crucial for designing durable polymer systems for advanced industrial use.

36 MATERIALS SCIENCE↗

Ion-Specific Precipitation of Extractants Enables Rare-Earth Separation and Wastewater Remediation from Solvent Extraction of Critical Elements

The increasing demand for rare-earth elements (REEs) necessitates sustainable recovery strategies, particularly from secondary sources, such as electronic waste. Solvent extraction is the primary industrial method for REE separation; however, the unintentional dissolution of extractants into wastewater poses serious environmental risks, leading to organic contamination and process inefficiencies. Existing wastewater treatment methods struggle to remove these persistent pollutants, underscoring the need for innovative recovery approaches. Herein, we present a ligand-mediated precipitation strategy that simultaneously recovers REEs and removes dissolved extractants from solvent extraction wastewater. We show that residual extractants in the aqueous phase can selectively bind REEs, inducing their precipitation while leaving transition metals in solution. By integrating FTIR spectroscopy, EDS, XPS, EXAFS, and SAXS, we elucidate the mechanism of ion-specific precipitation and the local coordination environment of metal ions in the precipitate. Importantly, we demonstrate that the precipitated extractants can be efficiently recovered and reused, providing a closed-loop solution that enhances sustainability. Applying this method to leachates from samarium–cobalt (Sm–Co) and neodymium–iron–boron (NdFeB) mixed magnets, we achieve highly selective REE precipitation under mild conditions, demonstrating a scalable and cost-effective pathway for REE recovery, wastewater purification, and extractant recycling. In conclusion, by integrating element-specific ligand-mediated precipitation with extractant reuse, this work offers a transformative approach to REE separation that reduces the environmental impact while improving resource efficiency.

E-waste↗

Evolution of silicate coordination in architected amorphous and crystalline magnesium silicates during carbon mineralization

Advancing durable solutions for carbon storage and removal at the gigaton scale to produce solid carbonates via carbon mineralization requires harnessing earth abundant magnesium silicate resources. Calibrated insights linking the structural and morphological features of earth abundant amorphous and crystalline magnesium silicate phases to their reactivity are essential for scalable deployment but remain underdeveloped. To resolve the influence of silica coordination and mass transfer on carbon mineralization behavior, magnesium silicates bearing amorphous and crystalline phases (AC Mg-silicate) are synthesized. The structural and morphological transitions starting from colloidal precursors to their final synthesized form on heating are delineated using operando ultra small/small/wide angle X-ray scattering (USAXS/SAXS/WAXS) measurements. The evolution of the silicate phases on carbon mineralization of AC Mg-silicate is contrasted with that of highly crystalline Mg-silicate (HC Mg-silicate) when reacted at 200 °C and a CO 2 partial pressure of 20 atm in water and 1 M NaHCO 3 solution in stirred and unstirred environments. These experimental conditions are analogous to those of the water–gas-shift reaction for sustainable recovery of H 2 with inherent carbon mineralization. Enhancement in the extent of carbon mineralization by 13.3–19.5% noted in the presence of NaHCO 3 compared to water in AC and HC Mg-silicate with and without stirring, is attributed to the buffering effect which aids simultaneous silicate dissolution and carbon mineralization. Enhanced extents of carbon mineralization in the presence of NaHCO 3 correspond to the formation of MgSiO 3 and SiO 2 phases from the starting Mg 2 SiO 4 precursors in AC and HC Mg-silicate. Unlocking these silicate transformations during carbon mineralization by harnessing architected Mg-silicate precursors reveals the feasibility of integrating these chemical pathways with sustainable H 2 conversion pathways with inherent carbon mineralization.

Gao, Xun [Cornell Univ., Ithaca, NY (United States↗

Design and performance of AI agents interfacing with an atomic layer deposition tool

In this work, we introduce the design of an atomic layer deposition (ALD) reactor augmented with an AI interface for autonomous materials synthesis. Our modular design encapsulates the particularities of the hardware behind a Python interface that communicates with the ALD control software via transmission control protocol. This interface is compatible with model context protocol interfaces used in agentic frameworks. We have integrated our tool with a simple AI agent that leverages a large language model to transform user-supplied queries into ALD processes that are then run in our reactor. Our approach uses a JavaScript object notation schema to encode ALD processes. Our experimental results show that the AI interface does not impose a significant overhead to our control software, at least within our fastest 10 ms scale. We also carried out a detailed evaluation of the agent performance using leading models in two classes of tasks: basic instruction and process discovery tasks, where the agent is presented with a target material and needs to identify the correct ALD process compatible with the reactor configuration. Despite the simplicity of our agent design, we observed that most of the advanced models excelled at the instruction tasks. However, only recent models, such as o1, o3, GPT-5, and Claude Opus 4, performed well in process discovery tasks. We also observed significant variability in the response for the hardest challenges. While the results obtained are promising, we identify areas where AI research could improve the performance of agents for ALD.

47 OTHER INSTRUMENTATION↗

Roadmap on data-centric materials science

Science is and always has been based on data, but the terms ‘data-centric’ and the ‘4th paradigm’ of materials research indicate a radical change in how information is retrieved, handled and research is performed. It signifies a transformative shift towards managing vast data collections, digital repositories, and innovative data analytics methods. The integration of artificial intelligence and its subset machine learning, has become pivotal in addressing all these challenges. This Roadmap on Data-Centric Materials Science explores fundamental concepts and methodologies, illustrating diverse applications in electronic-structure theory, soft matter theory, microstructure research, and experimental techniques like photoemission, atom probe tomography, and electron microscopy. While the roadmap delves into specific areas within the broad interdisciplinary field of materials science, the provided examples elucidate key concepts applicable to a wider range of topics. The discussed instances offer insights into addressing the multifaceted challenges encountered in contemporary materials research.

36 MATERIALS SCIENCE↗