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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 451 records · Page 25
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Increased material flow throughput in large scale additive manufacturing through movable segmented build platform

An assembly for additive manufacturing includes a build housing including a base, a print head, and a print head support connected to the base for supporting the print head above the base. A driver system is provided for moving the print head and the base relative to one another. A build platform comprising a build support and at least one platen. The build support can be detachably engageable to the housing. The platens can be detachably engageable to the build support. The build support can include registration structure for registering the position of the build support relative to the build housing. A method of additive manufacturing is also disclosed.

Kunc, Vlastimil↗
DOE OSTI2025

Synthesis and Characterization of Metastable Cobalt Honeycomb KCoAsO 4

The Kitaev model has served as a long-sought-after target in the realization of a quantum spin liquid that could host Majorana Fermions. Such non-Abelian anyons could revolutionize quantum computing if properly implemented to overcome decoherence. A 3d 7 electronic configuration, like Co 2+ , has been explored by theory and experimental work to design Kitaev materials. Here, in this study, we report the synthesis of a new cobaltate honeycomb material KCoAsO 4 . The compound is synthesized through a low-temperature solution route and crystallized in space group R¯3 with lattice parameters a = 5.0394(1) and c = 28.6790(1) as determined by neutron powder diffraction. The crystal structure follows motifs similar to those of the honeycomb compound BaCo2(AsO 4 ) 2 but presents differing magnetic behavior. Magnetization/heat capacity measurements on the powder show antiferromagnetic transition T N = 14 K. Two lower-temperature transitions are present in susceptibility at low field that resemble spin reorientations. Magnetization data as a function of field have curvature indicative of metamagnetic behavior below the magnetic ordering temperature, with the magnetic ordering suppressed upon application of a higher magnetic field. Computational studies suggest the presence of a weak nearest-neighbor Kitaev term, K 1 , consistent with related honeycomb cobaltates. Together, the data suggest that this material should present a new platform for developing Kitaev quantum spin liquids.

cobaltate↗
DOE OSTI2024

First-Principles Simulation of Beam-Induced Processes Underlying Atomic Manipulation in Electron Microscopes

The development of experimental methods and apparatuses capable of promoting atomically precise material manipulations holds great promise for realizing the ultimate limit of feature miniaturization in materials and devices. The ability to modify materials atom by atom is anticipated to usher in new technologies in areas as diverse as separation science, medicine, and quantum information science. Historically, scanning probe-based techniques have been the most prominent approaches in this space. However, these methods are best suited for the manipulation of surface-exposed regions of materials, as the strong perturbations required for bond scission are delivered most effectively to atoms in the near-proximity to the scanning probe. In contrast, convergent electron beams with energies tuned slightly below the threshold for inducing irreversible knock-on damage have recently been employed (within scanning transmission electron microscopy) to promote atomic-scale bond rearrangements in various beam-stable solids. Currently, however, the efficiency and selectivity of beam-induced atomic manipulation processes with focused electron beams are such that long irradiation times are required to induce a desired atomic rearrangement. With a better understanding of the underlying physics dictating the outcome of a given irradiation event, methods can be devised to improve the efficiency of these techniques so that their promise can be fully realized through widespread adoption.To this end, this Account details our recent efforts to develop and apply tractable first-principles simulation approaches for studying the response of materials to electric beam-like external electric potentials applied in real space. We briefly review the concepts and capabilities in the area of atomically precise materials manipulation and review the early demonstrations of accomplishments in this area, focusing on studies using scanned convergent electron beam probes in particular. We expound upon the depth of the challenge and identify critical shortcomings of theoretical methods that have previously been employed in the simulation of beam-induced processes. We then describe the computational methods that we have generalized from the concepts and tools most commonly applied to the study of molecular photochemistry and how our adaptations of these methods can be employed to capture the relevant dynamical phenomena for beam-induced processes ranging from the initial electron scattering to the ensuing multistate reactions. Here, we contextualize these methods within the current state of the art in this area, which has historically focused primarily on the simulation of inelastic image formation in the electron microscope for the purpose of interpreting the results of quantitative electron microscopy experiments. We demonstrate that the spatial distribution of state-specific excitation rates due to the presence of an external (probe) electric charge is inhomogeneous, such that irradiation at particular locations in materials can favor specific electronic transitions (and disallow others). In addition to the potential for excited-state reaction pathways to be accessed through the initial inelastic scattering of the tightly focused electron beam from the targeted atoms, we also identify favorable conditions for the electronically nonadiabatic evolution of the highly vibrationally excited system to open complex multistate reaction pathways. Implications of the early results for understanding the mechanisms and potential routes to improved efficiency and selectivity in beam-induced reactions are discussed. We conclude with a summary of the current state of theory and modeling capabilities in this area and provide our perspective on future directions for theoretical and experimental developments that we view as crucial to advancing the use of convergent electron beams in mode-specific, atomically precise platforms for direct-write materials modifications.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Manipulation of Magnetic Skyrmion in a 2D van der Waals Heterostructure via Both Electric and Magnetic Fields

As a promising candidate for the much-desired low power consumption spintronic devices, 2D magnetic van der Waals material also provides a versatile platform for the design and control of topological spin textures. In this work on WTe 2 /CrCl 3 bilayer van der Waals heterostructures, a complete Néel-type skyrmion–bimeron–ferromagnet phase transition is demonstrated, accompanied by the evolution of the topological number. This cyclic transition, mediated by a perpendicular magnetic field, is largely driven by the competition between the out-of-plane magnetocrystalline anisotropy and magnetic dipole–dipole interaction. In the presence of a driving current, the Néel-type skyrmion gains a higher velocity yet larger skyrmion Hall angle, in comparison to the bimeron. By incorporating a ferroelectric CuInP 2 S 6 monolayer as a substrate, writing and erasing of skyrmions may be regulated using a ferroelectric polarization. Here this work sheds light on a novel approach to the design and control of magnetic skyrmions on 2D van der Waals materials.

multiferroic↗
DOE OSTI2025

Extrusion‐Based Printing of Nanostructured Fatty Acid Gels Incorporated in Hydrogels

Soft materials with unique nanostructures such as lamellar, hexagonal, and cubic morphologies can replicate complex structures that have potential in various fields, including biomedical and industrial applications. However, a key challenge in advancing the broader applications of 3D printing for these nanostructured soft materials is insufficient mechanical properties that hinder their printability and compromise structural stability in the final product. In this study, the suitability of a fatty acid‐based lamellar gel is evaluated for direct extrusion‐based 3D printing. Here, the lamellar gel with varying water content is integrated with a photocurable hydrogel to preserve the shape and stability of the final prints. Complex 2D and 3D design patterns are used to assess extrusion behavior, structural stability, and print precision under varying pressures. Small‐angle X‐ray Scattering (SAXS) measurements reveal the formation of lamellar nanostructures and confirm their retention after photocuring in various gels. Rheological analysis confirms that these gels exhibit key properties suitable for extrusion‐based 3D printing, such as shear‐thinning behavior. Additionally, tensile testing is conducted to evaluate the mechanical properties across cured print samples. This study underscores the potential of nanostructured gels as a robust and versatile platform, facilitating the development of materials engineered for various applications.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Elucidating the reversible exsolution–dissolution behaviour of high-entropy oxides in crystalline and amorphous phases

High-entropy oxides (HEOs), as a subclass of high-entropy materials (HEMs), offer a versatile platform for catalysis by leveraging entropy-stabilized solid solutions with tunable compositions, lattice structures, and electronic properties. While exsolution–dissolution of metal species in crystalline HEOs has emerged as a promising strategy for reversible active sites regeneration, the dynamic behaviour of HEOs possessing amorphous nature remains under-explored, particularly the difference with crystalline counterparts. In this work, we systematically investigate the architecture-dependent exsolution–dissolution behavior of HEOs by comparing a crystalline-phase HEO (c-HEO) and an amorphous-phase HEO (a-HEO), both comprising Ni, Mg, Cu, Zn, and Co as principal metal elements. Using a combination of in situ variable-temperature X-ray diffraction (XRD), X-ray photoelectron spectroscopy (XPS), electron microscopy, and in situ CO diffuse reflectance infrared Fourier transform spectroscopy (CO-DRIFTS), the structural evolution of the two HEO phases under redox conditions was elucidated. Both materials exhibit reversible exsolution of metallic species or alloys in reducing environments, followed by re-incorporation into the host lattice upon oxidation. Remarkably, the a-HEO demonstrates more facile and dynamic self-healing behavior, with alloy exsolution and dissolution occurring under milder conditions because of its enhanced reducibility and structural disorder. This study provides critical insights into the design of next-generation regenerable catalysts based on amorphous HEOs, highlighting the role of phase structure in governing reversible metal-site formation dynamics and catalytic performance.

Wang, Qingju [Univ. of Tennessee, Knoxville, TN (U↗
DOE OSTI2022

Electric fields and substrates dramatically accelerate spin relaxation in graphene

Electrons in graphene are theoretically expected to retain spin states much longer than most materials, making graphene a promising platform for spintronics and quantum information technologies. Here, in this work, we use first-principles density-matrix (FPDM) dynamics simulations to show that interaction with electric fields and substrates strongly enhances spin relaxation through scattering with phonons. Consequently, the relaxation time at room temperature reduces from microseconds in free-standing graphene to nanoseconds in graphene on the hexagonal boron nitride (hBN) substrate, which is the order of magnitude typically measured in experiments. Further, inversion symmetry breaking by hBN introduces a stronger asymmetry in electron and hole spin lifetimes than predicted by the conventional D'yakonov-Perel' (DP) model for spin relaxation. Deviations from the conventional DP model are stronger for in-plane spin relaxation, resulting in out-of-plane to in-plane lifetime ratios much greater than 1/2 with a maximum close to the Dirac point. These FPDM results, independent of symmetry-specific assumptions or material-dependent parameters, also validate recent modifications of the DP model to explain such deviations. Overall, our results indicate that spin-phonon relaxation in the presence of substrates may be more important in graphene than typically assumed, requiring consideration for graphene-based spin technologies at room temperature.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Field-free platform for Majorana-like zero mode in superconductors with a topological surface state

Superconducting materials exhibiting topological properties are emerging as an exciting platform to realize fundamentally new excitations from topological quantum states of matter. In this letter, we explore the possibility of a field-free platform for generating Majorana zero energy excitations by depositing magnetic Fe impurities on the surface of candidate topological superconductors, LiFeAs and PbTaSe 2 . We use scanning tunneling microscopy to probe localized states induced at the Fe adatoms on the atomic scale and at sub-Kelvin temperatures. We find that each Fe adatom generates a striking zero-energy bound state inside the superconducting gap, which do not split in magnetic fields up to 8 T, underlining a nontrivial topological origin. Finally, our findings point to magnetic Fe adatoms evaporated on bulk superconductors with topological surface states for exploring Majorana zero modes and quantum information science under field-free conditions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2026

Alignment switching in 3D-printed smectic liquid crystal elastomers

Extrusion-based additive manufacturing has emerged as a powerful platform for designing shape-morphing materials through controlled orientation. However, existing approaches primarily rely on a single mode of flow-induced alignment, limiting orientation programmability. Herein, we present a direct-ink-writing approach for smectic liquid crystal elastics that exploits two distinct alignment modes within a single ink. The smectic ink exhibits shear- and temperature-dependent orientation switching, enabling molecular alignment either perpendicular or parallel to the print direction. Combined rheological, X-ray, and molecular dynamics analyses reveal that this alignment inversion arises from the preservation or collapse of smectic layers under flow. This reversible switching encodes both contractile and elongational actuation within individual filaments, greatly expanding the design freedom of printed liquid crystal elastomers. We demonstrate 2D and 3D structures with diverse programmed shape transformations, highlighting the potential of this platform for adaptive soft actuators and architected functional materials.

Lee, Jin Hyeong [Pusan National University, Busan,↗
DOE OSTI2025

Nanoconfinement of High Hydrogen-to-Metal Ratio Lanthanum Hydrides in Functionalized Carbon Hosts

Metal hydrides with a high hydrogen content are important for materials-based hydrogen storage and high-temperature superconductivity. Nanoconfinement of metal hydrides in porous hosts is a promising strategy to tune the thermodynamic stability and control the hydrogen-to-metal ratio. However, lanthanum hydride (LaH x ) nanoconfinement in porous materials has been limited due to the challenges associated with isolating and stabilizing nanoparticles of La or La-hydrides. Here we successfully demonstrated the chemical reduction of La­(III) salts to La(0), and subsequent infiltration into pure CMK-3 and nitrogen-doped CMK-3 (NCMK-3) porous carbons. Transmission electron microscopy measurements revealed a uniform distribution of LaH x species within the carbon hosts, while X-ray absorption and photoelectron spectroscopy provided detailed information about the local chemical environment. Sieverts measurements indicate that LaH x @NCMK-3 could desorb up to 0.75 wt % hydrogen, which is higher than non-nitrogen-functionalized CMK-3 (0.43 wt % H). Density Functional Theory and ab initio molecular dynamics calculations indicate that host–guest interaction energies are favorable for porous carbon with nitrogen defects, which is supported by experimental evidence. Moreover, high-pressure synchrotron X-ray diffraction measurements were conducted using a diamond anvil cell up to 60 GPa and reveal that the nitrogen-functionalized nanoporous carbon host favors the formation of higher H:La ratios in the presence of ammonia borane compared to the pure CMK-3 host. This approach could serve as a suitable platform for developing nanoscale superconducting materials at lower pressures and temperatures compared to bulk.

Shivanna, Mohana↗
DOE OSTI2025

Biofilm growth in water-cooling towers as collection platforms for airborne radionuclides

Given its history of nuclear material processing, the Savannah River Site (SRS) was used to evaluate whether biofilms growing in water-cooling towers (WCTs) are effective passive collection platforms for environmental radionuclide surveillance. Uranium and plutonium analyses suggest that WCT-sourced biofilms are efficient, indigenous, constantly running samplers that can be used for environmental monitoring, as their isotopic compositions are distinct from atmospheric fallout and representative of SRS historical activities. Further, the ubiquity of WCTs worldwide and demonstrated ability to detect nuclear material processing and constrain specific activities based on biofilm actinide isotopic compositions make WCT biofilms a promising means to improve monitoring.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2020

Structural distortion and incommensurate noncollinear magnetism in EuAg 4 As 2

Layered pnictide materials have provided a fruitful platform to study various emergent phenomena, including superconductivity, magnetism, charge density waves, etc. In this work, we report the observation of structural distortion and noncollinear magnetism in layered pnictide EuAg 4 As 2 via transport, magnetization, single crystal x-ray, and neutron diffraction data.EuAg 4 As 2 single crystal shows a structural distortion at 120 K, where two sets of superlattice peaks with the propagation vectors of q 1 =±(0, 0.25, 0.5) and q 2 =±(0.25, 0, 1) emerge. Between 9–15 K, the hexagonal Eu 2+ sublattice enters an unpinned incommensurate magnetic state, with magnetic Bragg reflections pictured as circular sectors. Furthermore, below 9 K, it orders in an incommensurate noncollinear antiferromagnetic state with a well-defined propagation wavevector of (0, 0.1, 0.12) and a very rare magnetic structure, which is helical along the c axis and cycloidal along the b axis with a moment of 6.4 μB/Eu 2+ . Furthermore, rich magnetic phases under magnetic fields, large magnetoresistance, and strong coupling between charge carriers and magnetism in EuAg 4 As 2 are revealed.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Topological valley Hall polariton condensation

A photonic topological insulator features robust directional propagation and immunity to defect perturbations of the edge/surface state. Exciton-polaritons, that is, the hybrid quasiparticles of excitons and photons in semiconductor microcavities, have been proposed as a tunable nonlinear platform for emulating topological phenomena. However, mainly due to excitonic material limitations, experimental observations so far have not been able to enter the nonlinear condensation regime or only show localized condensation in one dimension. Here, in this study, we show a topological propagating edge state with polariton condensation at room temperature and without any external magnetic field. We overcome material limitations by using excitonic CsPbCl 3 halide perovskites with a valley Hall lattice design. The polariton lattice features a large bandgap of 18.8 meV and exhibits strong nonlinear polariton condensation with clear long-range spatial coherence across the critical pumping density. The geometric parameters and material composition of our nonlinear many-body photonic system platform can in principle be tailored to study topological phenomena of other interquasiparticle interactions. Polariton condensation of topological propagating edge states is demonstrated with halide perovskite microcavities.

42 ENGINEERING↗
NASA NTRS2012

Electrodynamic Dust Shields on the International Space Station: Exposure to the Space Environment

Electrodynamic Dust Shields (EDS) have been in development at NASA as a dust mitigation method for lunar and Martian missions. An active dust mitigation strategy. such as that provided by the EDS, that can remove dust from surfaces, is of crucial importance to the planetary exploration program. We report on the development of a night experiment to fully ex pose four EDS panels to the space environment. This flight experiment is part of the Materials International Space Station experiment X(MISSE-X). an external platform on the International Space Station that will expose materials to the space environment.

Calle, C. I.↗
NASA NTRSDate not supplied

A Partitioned - Task Parallel Implementation of the NASA Multiscale Analysis Tool for High Performance Computing

The NASA Multiscale Analysis Tool (NASMAT) is a platform for multiscale modeling of composites which can perform analysis of materials with any arbitrary number of length scales. The platform supports modularity, scalability, and interoperability using recursive procedures and data structures. A Macro solver driven parallelization scheme often limits the capability of NASMAT to scale as it has access to limited memory and number of cores (often one core/thread) and often forces to implement macro solver specific changes to the platform. In this work, a partitioned task-parallel approach is adopted, where the parallelization strategy adopted for NASMAT is independent of the macro solver and the computational resources are managed independently. The programming architecture takes into account the hierarchy of multiple scales (task-dependence) and the heterogeneous nature (dynamic load balancing) of computation through implementation of a hierarchy-informed task parallel model. The partitioned nature of the framework further extends the “plug and play” capability of NASMAT. preCICE, an open-source library for coupling multiphysics solver in a partitioned manner, is adopted to integrate NASMAT with an external macro solver by implementing a NASMAT adapter for preCICE. Speedup and scalability of the framework is studied for micromechanical models of varying size.

task-parallel↗
DOE OSTI2021

Fe Thin Film-Coated Optics for Corrosion Monitoring: Optical and Electrochemical Studies

Corrosion proxy materials integrated with an optical sensing platform enable a real-time optical corrosion sensor for natural gas pipelines to prevent methane leaks and catastrophic events. Effects of CO 2 , pH, and film thickness on corrosion of Fe thin films (25, 50, 100 nm) were studied using optical and electrochemical methods in 3.5%wt. NaCl solutions at 30 °C. An increase in light transmission (T%) corresponded to corrosion of Fe thin films. CO 2 accelerated corrosion of Fe thin films due to the lower pH and the promoted corrosion reactions, resulting in a faster increase of T% than without CO 2 or at higher pH. While the corrosion rate increased with increasing film thickness, electrochemical corrosion of Fe thin films was in good agreement with that of bulk carbon steel, verifying that Fe thin films can serve as a representative corrosion proxy when integrated with the optical sensing platform.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Protonic nickelate device networks for spatiotemporal neuromorphic computing

Computation in biological neural circuits arises from the interplay of nonlinear temporal responses and spatially distributed dynamic network interactions. Replicating this richness in hardware has remained challenging, as most neuromorphic devices emulate only isolated neuron- or synapse-like functions. Here we introduce an integrated neuromorphic computing platform in which both nonlinear spatiotemporal processing and programmable memory are realized within a single perovskite nickelate material system. By engineering symmetric and asymmetric hydrogenated NdNiO 3 junction devices on the same wafer, we combine ultrafast, proton-mediated transient dynamics with stable multilevel resistance states. Networks of symmetric NdNiO 3 junctions exhibit emergent spatial interactions mediated by proton redistribution, while each node simultaneously provides short-term temporal memory, enabling nanosecond-scale operation with an energy cost of ~0.2 nJ per input. When interfaced with asymmetric output units serving as reconfigurable long-term weights, these networks allow both feature transformation and linear classification in the same material system. Leveraging these emergent interactions, the platform enables real-time pattern recognition and achieves high accuracy in spoken digit classification and early seizure detection, outperforming temporal-only or uncoupled architectures. These results position protonic nickelates as a compact, energy-efficient, CMOS-compatible platform that integrates processing and memory for scalable intelligent hardware.

Electrical and electronic engineering↗