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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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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Strategies for design and synthesis of porous liquids toward carbon capture and separation

Porous liquids (PLs) represent a promising category of sorbents in carbon capture and separation capable of integrating the advantages of flowing liquid and porous solid systems. Well-defined pores were engineered into liquid sorbents via liquifying molecules with stiff interior voids, dissolving rigid porous hosts in flowing liquids, or dispersing porous frameworks in high steric hindrance solvents, producing type I, II, or III PLs, respectively. Unique features of PLs have triggered broad interest in exploring their applications in carbon capture and separation, in which diverse design strategies, synthesis approaches, and enhanced performance have been reported. Here, in this minireview, recent progress in the design, synthesis, and structural engineering of PLs and efforts towards the optimization of their carbon capture and separation behavior will be summarized, including the comparison between PLs with varied types. Porosity engineering into liquid sorbents provides opportunities to resolve challenging issues in conventional sorption and separation systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS2011

Microlith-based Structured Sorbent for Carbon Dioxide, Humidity, and Trace Contaminant Control in Manned Space Habitats

To support continued manned space exploration, the development of atmosphere revitalization systems that are lightweight, compact, durable, and power efficient is a key challenge. The systems should be adaptable for use in a variety of habitats and should offer operational functionality to either expel removed constituents or capture them for closedloop recovery. As mission durations increase and exploration goals reach beyond low earth orbit, the need for regenerable adsorption processes for continuous removal of CO2 and trace contaminants from cabin air becomes critical. Precision Combustion, Inc. (PCI) and NASA Marshall (MSFC) have been developing an Engineered Structured Sorbents (ESS) approach based on PCI s patented Microlith technology to meet the requirements of future, extended human spaceflight explorations. This technology offers the inherent performance and safety attributes of zeolite and other sorbents with greater structural integrity, regenerability, and process control, thereby providing potential durability and efficiency improvements over current state-of-the-art systems. The major advantages of the ESS explored in this study are realized through the use of metal substrates to provide structural integrity (i.e., less partition of sorbents) and enhanced thermal control during the sorption process. The Microlith technology also offers a unique internal resistive heating capability that shows potential for short regeneration time and reduced power requirement compared to conventional systems. This paper presents the design, development, and performance results of the integrated adsorber modules for removing CO2, water vapor, and trace chemical contaminants. A related effort that utilizes the adsorber modules for sorption of toxic industrial chemicals is also discussed. Finally, the development of a 4-person two-leg ESS system for continuous CO2 removal is also presented.

Junaedi, Christian↗
DOE OSTI2021

Understanding the Mesoscale Degradation in Nickel-Rich Cathode Materials through Machine-Learning-Revealed Strain–Redox Decoupling

The degradation of nickel-rich cathode materials for lithium-ion batteries upon prolonged electrochemical cycling features a complicated interplay among electronic structure, lattice configuration, and micro-morphology. The underlying mechanism for such an entanglement of different material properties at nano- to mesoscales is fundamental to the battery performance but not well-understood yet. Here we investigate the correlation between the local redox reaction and lattice mismatch through a nano-resolution synchrotron spectro-microscopy study of LiNi 0.8 Co 0.1 Mn 0.1 O 2 (NCM 811) cathode particles. With assistance from a machine-learning-based data classification method, we identify local regions that demonstrate a strain–redox decoupling effect, which can be attributed to different side reactions. Overall, our results highlight the mesoscale reaction heterogeneity in the battery cathode and suggest that particle structure engineering could be a viable approach to mitigate the chemomechanical degradation of cathode materials.

25 ENERGY STORAGE↗
DOE OSTI2020

Metalorganic chemical vapor deposition of ZnGeN 2 films on GaN: effects of cation stoichiometry on surface morphology and crystallinity

Novel optoelectronic device designs based on the heterostructures of III-N and II-IV-N 2 are promising to advance device performance significantly. For example, by utilizing InGaN-ZnGeN 2 quantum well (QW) structures instead of pure InGaN, the band structure engineering in the QW active region can lead to improved electron-hole wavefunction overlap, and thus enhance the radiative efficiency for photon generation. These novel heterostructures have great potential to address the current challenge of low quantum efficiency in InGaN QW based light emitting diodes emitting in green and beyond. The materials development of ZnGeN 2 is still at an early stage as compared to the much matured GaN material system. In an ideal octet rule preserving ordered structure of ZnGeN 2 , every N atom is coordinated by exactly two Zn and two Ge atoms. However, local violation of octet rule can be caused by non-ideal coordination of N by the cations. The disordered structure is thermodynamically less favorable but can still be achieved, for example, in kinetics-limited growth regime. The ordered ZnGeN 2 has a bandgap very close to that of GaN (~3.4 eV) and a lattice mismatch of <0.1% with GaN. Interestingly, the valence band of ZnGeN 2 has been predicted to be ~1 eV above that of GaN, which has inspired novel designs for high efficiency light emitters. In this work, we investigated the metalorganic chemical vapor deposition (MOCVD) of ZnGeN 2 films on GaN/c-sapphire templates. Diethylzinc (DEZn), germane (GeH4) and ammonia were used as the precursors for Zn, Ge and N, respectively. A systematic study was conducted to investigate the cation stoichiometry as a function of growth temperature (TG), total reactor pressure (P) and DEZn/GeH 4 molar flow rate ratio (RII/IV). Under the investigated growth window, the Zn/(Zn+Ge) composition in the films, determined from energy dispersive X-ray spectroscopy, decreased monotonically with increase in TG but increased with increase in P and RII/IV. Atom probe tomography data did not indicate the presence of any secondary phases such as Zn 3 N 2 or Ge 3 N 4 . The surface morphology and crystallinity of the grown films had strong correlation with the Zn/(Zn+Ge) composition. The scanning electron microscopy images showed that the near-stoichiometric films have planar surfaces whereas Zn-rich films had crystallites on their surface and the Zn-poor films had faceted surface. Scanning transmission electron microscopy (STEM) imaging revealed that the Zn-rich and Zn-poor films have columnar and filament-like morphology, respectively, whereas the near-stoichiometric films have continuous film-like cross-sectional morphology. TEM nano-diffraction patterns as well as X-ray diffraction 2θ-ω scan profiles indicate that the near stoichiometric films are single crystalline. Nano-diffraction pattern of the stoichiometric films resembled that of a disordered ZnGeN 2 structure. Room temperature Raman spectra of near-stoichiometric films showed only the phonon density of states like features of a cation disordered ZnGeN 2 . Cathodoluminescence and photoluminescence spectra measured at different temperatures had similar features with peak emission wavelength at ~ 2 eV. In conclusion, the stoichiometry of ZnGeN 2 films can be widely tuned by tuning the MOCVD growth parameters. The surface morphology and the crystallinity of the films were found to have strong correlation with the Zn/(Zn+Ge) composition. The stoichiometric ZnGeN 2 films grown on GaN were demonstrated with uniform surface morphology and high crystalline quality. The results from this work will provide pathway to implement ZnGeN 2 in device structures.

Karim, Md Rezaul↗
DOE OSTI2019

A strategy for the selection of monovalent antibodies that span protein dimer interfaces

Ligand-induced dimerization is the predominant mechanism through which secreted proteins activate cell surface receptors to transmit essential biological signals. Cytokines are a large class of soluble proteins that dimerize transmembrane receptors into precise signaling topologies, but there is a need for alternative, engineerable ligand scaffolds that specifically recognize and stabilize these protein interactions. Recombinant antibodies can potentially serve as robust and versatile platforms for cytokine complex stabilization, and their specificity allows for tunable modulation of dimerization equilibrium. Here, we devised an evolutionary strategy to isolate monovalent antibody fragments that bridge together two different receptor subunits in a cytokine–receptor complex, precisely as the receptors are disposed in their natural signaling orientations. To do this, we screened a naive antibody library against a stabilized ligand– receptor ternary complex that acted as a “molecular cast” of the natural receptor dimer conformation. Our selections elicited “stapler” single-chain variable fragments (scFvs) of antibodies that specifically engage the interleukin-4 receptor heterodimer. The 3.1 Å resolution crystal structure of one such stapler revealed that, as intended, this scFv recognizes a composite epitope between the two receptors as they are positioned in the complex. Extending our approach, we evolved a stapler scFv that specifically binds to and stabilizes the interface between the interleukin-2 cytokine and one of its receptor subunits, leading to a 15-fold enhancement in interaction affinity. This demonstration that scFvs can be selected to recognize epitopes that span protein interfaces presents new opportunities to engineer structurally defined antibodies for a broad range of research and therapeutic applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period October 2022-March 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary heat transport system to ensure temperatures in the reactor systems, structures and components with significant safety margins during normal operation and design basis accident scenarios. This third semi-annual report summarized the progress made at Argonne on the two tasks during the first half of FY23. As a part of the RCCS design task, a design process for the water panel and the system configuration was performed to improve the thermal performance of the RCCS. The updated water panel design had achieved enhanced thermal performance with 0.96 MWth capability with major design updates made in structural interfaces with the RPV and initial configuration of the water tanks. The loop configuration of the RCCS has been proposed to have two independently working loops for system redundancy. A water panel material study was performed focusing on the use of carbon steel in water systems. Additional modeling strategies of primary system thermal fluids analyses were developed to meet modeling needs that are not well suited for the 1D-3D assembly level approach. The first of these is a reduced order assembly model, in which fuel centered unit cells are used to represent a fuel assembly. The 2D approach used in this model is much more computationally efficient, making this model useful for full core transient scenarios where fuel to coolant heat transfer is still the dominant flow path. The next model is the 3D core conduction model to be used to analyze decay heat removal in loss of primary system flow scenarios. Because these scenarios require a large domain to be modeled, a homogenized core model is being pursued to reduce the required computational costs. To accurately model decay heat scenarios it is necessary to couple a RCCS model to the 3D core conduction model. A simplified case is presented to demonstrate how the coupling methodology will be applied to the full core 3D conduction model.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2002

NASA Glenn/AADC Collaboration Optimized Erosion Coatings for Inlet Guide Vanes

There is a need for lightweight, durable materials and structures to reduce the weight of propulsion systems. Polymer matrix composites (PMC's) are promising materials for aerospace applications because of their high strength-to-weight ratio relative to metals. Unfortunately, they are limited to applications where they are not exposed to hightemperature oxidizing atmospheres and/or particulates from ingested air. This is because oxidation and erosion occur on the surface, leading to weight loss, nodulation, and/or cracking on the surface, and a consequent decline of mechanical properties over time. Although prior research has shown that oxidation can be slowed when metallic or ceramic coatings are applied onto PMC's, there remains a need for erosion-resistant coatings that protect PMC's from high-velocity particulates in the engine flow path. These erosionresistant coatings could extend the life of polymer composites. Polymer composites are heavily damaged without an erosion-resistant coating because they are not as hard as metallic engine structures. The effectiveness and life of the coatings depends on their inherent properties as well as on the interaction between the coating and the PMC. Since polymers, in general, have high thermal expansion coefficients in comparison to metals and ceramics, failure of the coatings often occurs at this interface. The objective of this research is to develop strategies to improve this interface and tailor overlays for erosion resistance. The bondcoat, which was developed at the NASA Glenn Research Center, is composed of zinc blended with polyimides to improve the compatibility between the PMC and the overlay material. Initial coating trials at AADC produced vanes that had poor bonding between the overlay and bondcoats. Subsequently, Glenn successfully demonstrated that high-quality plasma-sprayed erosion coating systems could be applied to these guide vanes. Inlet guide vanes from AE 3007 engines fiber composites were coated using a coating system composed of a bondcoat and a hard topcoat. Optimization of the plasma spray process has led to plans for future erosion testing in gas turbine engine environments.

Sutter, James K.↗
NASA NTRS2016

Space Launch System Vibration Analysis Support

The ultimate goal for my efforts during this internship was to help prepare for the Space Launch System (SLS) integrated modal test (IMT) with Rodney Rocha. In 2018, the Structural Engineering Loads and Dynamics Team will have 10 days to perform the IMT on the SLS Integrated Launch Vehicle. After that 10 day period, we will have about two months to analyze the test data and determine whether the integrated vehicle modes/frequencies are adequate for launching the vehicle. Because of the time constraints, NASA must have newly developed post-test analysis methods proven well and with technical confidence before testing. NASA civil servants along with help from rotational interns are working with novel techniques developed and applied external to Johnson Space Center (JSC) to uncover issues in applying this technique to much larger scales than ever before. We intend to use modal decoupling methods to separate the entangled vibrations coming from the SLS and its support structure during the IMT. This new approach is still under development. The primary goal of my internship was to learn the basics of structural dynamics and physical vibrations. I was able to accomplish this by working on two experimental test set ups, the Simple Beam and TAURUS-T, and by doing some light analytical and post-processing work. Within the Simple Beam project, my role involves changing the data acquisition system, reconfiguration of the test set up, transducer calibration, data collection, data file recovery, and post-processing analysis. Within the TAURUS-T project, my duties included cataloging and removing the 30+ triaxial accelerometers, coordinating the removal of the structure from the current rolling cart to a sturdy billet for further testing, preparing the accelerometers for remounting, accurately calibrating, mounting, and mapping of all accelerometer channels, and some testing. Hammer and shaker tests will be performed to easily visualize mode shapes at low frequencies. Short analytical projects using MATLAB were also assigned to aid in research efforts. These included integration of acceleration data for comparison to measured displacement data. Laplace and Fourier transforms were also investigated to determine viability as a method of modal decoupling. In addition to these projects, I was also able contribute work that would benefit future interns and the division as a whole. I gave a short presentation and answered questions to aid in the recruitment of subsequent interns and co-ops for the division. I also assisted in revisions and additions to Intern/Co-Op Handbook to provide incoming employees with background information on the organization they are about to work for. I further developed tutorial on Pulse software, which was used for data acquisition for both experiments and will be helpful to interns and engineers that may be unfamiliar to the software. I gained a diverse range of experience throughout my internship. I was introduced to advanced dynamics and analytical techniques. This was through new experience with both hands on experimentation and analytical post processing methods. I was exposed to the benefits of interdepartmental collaboration and developed stronger skills in time management by coordinating two different tests at once. This internship provided an excellent opportunity to see how engineering theories applied to real life scenarios, and an introduction to how NASA/JSC solves technical problems.

Johnson, Katie↗
DOE OSTI2026

FAIR Data and Interpretable AI Framework for Architectured Metamaterials (Final Report)

This research program established a transformative framework for the discovery and design of mechanical metamaterials, which are architected structures engineered to control physical phenomena like sound and vibration in ways natural materials cannot. To overcome the traditional reliance on trial-and-error, the project developed an interpretable Artificial Intelligence (AI) framework that moves beyond "black box" models to reveal the specific geometric patterns—such as "unit-cell templates"—that govern a material’s performance. A major breakthrough was the development of a hierarchical design method, which allows a single material to block vibrations across multiple frequency ranges simultaneously by layering patterns at different scales without them interfering with one another. This was further expanded to include irregular, graph-based designs that use spanning tree algorithms to ensure structural connectivity while allowing for customized, direction-dependent properties like stiffness and acoustic impedance. Beyond design, the project addressed the practicalities of real-world production by developing uncertainty quantification techniques that account for manufacturing defects and material variability, reducing the need for expensive physical testing by orders of magnitude. To speed up the discovery process, the team implemented Gaussian Process Regression and other surrogate models that provide accurate performance predictions at a fraction of the traditional computational cost. The AI-generated designs were successfully validated through fabrication of physical samples and wave propagation experiments, confirming their ability to accurately guide or reflect waves as predicted. By contributing these tools and high-quality FAIR benchmark datasets to the wider scientific community, this work provides a scalable foundation for advancing technologies in aerospace vibration control, medical imaging, and noise reduction.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Topology optimization beyond linear elasticity

Complex, non-linear path-dependent and transient response of engineering structures can today be numerically modeled with good accuracy. For linear systems, this modeling has successfully been combined with computational design optimization for many years. The combination of non-linear modeling and numerical design optimization is far less established. In the present paper we discuss some recent steps taken to close the gap between the use of linear and non-linear modeling with numerical optimization. Examples with nonlinear elasticity, finite strain plasticity and dynamic modeling combined with topology optimization are discussed.

42 ENGINEERING↗
DOE OSTI2025

Flux Synthesis of Lattice‐Engineered Rutile Solid Solutions for Acidic Oxygen Evolution

Developing efficient and stable electrocatalysts for the acidic oxygen evolution reaction (OER) is vital for advancing proton exchange membrane water electrolysis (PEMWE) technologies. Here, in this study, we report a flux synthesis of nitrogen-doped Ti–Ru rutile-type solid-solution oxides (M-TiRu 4 ) using molten NaNO 3 as the flux medium. The flux medium promotes the low-temperature conversion of TiN to rutile TiO 2 , while in situ-formed RuO 2 nanoparticles facilitate lattice templating and couple with interfacial ion migration, enabling the formation of homogeneous solid solutions with abundant lattice heterogeneity. Simultaneously, nitrogen atoms are stably incorporated into the lattice of solid solutions, inducing bandgap narrowing, which enhances electronic conductivity. The developed M-TiRu 4 catalyst exhibits exceptional acidic OER performance, delivering a low overpotential of 194 mV at 10 mA cm −2 , superior durability over 600 h, and a Ru mass activity 7.8 times that of commercial RuO 2 . At the device level, M-TiRu 4 enables PEMWE operation at 1.64 V @ 2 A cm −2 and maintains stable performance at 500 mA cm −2 for 200 h with a minimal degradation rate of 20 µV h −1 . This work demonstrates a robust approach for designing high-performance, durable acidic OER catalysts via synergistic lattice and electronic structure engineering, paving the way for next-generation water-splitting technologies.

Wang, Fan [Univ. of Tennessee, Knoxville, TN (Unit↗
DOE OSTI2019

LDRD Ending Project Review: Polymer-Spray Coating Interfaces (Project 215984) [Slides]

The ability to surface engineer structures or components using coatings made by the thermal spray processes is very common practice and offers great design flexibility with traditional structure metallic substrates (e.g., Al, Steel, Ti). However, the joining of high melting temperature materials to a polymeric substrate presents a problem due to the melt deposition coating formation mechanism locally subjecting the polymer substrate to temperatures exceeding the limits of the polymer. Thus, it was desired to modify the surface of a polymer so that a thin metallic film could be robustly bonded to the polymer and act as a heat sink for impinging molten droplets from a thermal spray process and allow a thick film coating to be built upon the polymer.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Facet Impact of CuMn 2 O 4 Spinel Nanocatalysts on Enhancement of the Oxygen Reduction Reaction in Alkaline Media

Surface-structure engineering represents an attractive strategy to optimize the energy conversion performance of nanocatalysts using their deliberately controlled exposed facets. To further exploit the potential of non-PGM-based spinel catalysts for alkaline oxygen reduction reaction (ORR), a cathodic fuel cell reaction, we hereby report a strategy of ORR improvement by controlling the crystallographic facets of ultra-small CuMn 2 O 4 spinel nanocatalysts through a developed colloidal synthesis approach. The synthesis of CuMn 2 O 4 nanocrystals with morphological control relies on the design and selection of the Cu-/Mn-precursors with striking discrepancies in reaction kinetics. Following carbon loading and an annealing post-treatment of the as-synthesized nanocatalysts, the exclusively {101} facet-exposed CuMn 2 O 4 spinel nano-octahedra exhibit improved electrocatalytic activity toward ORR in 1 M KOH, when compared to their spherical counterparts, exhibiting a mass activity (MA) of 37.6 A/g at 0.85 V. After 10,000 cycles of ORR durability test, the nano-octahedra still retain an MA of 24.5 A/g, which is twice that of the CuMn 2 O 4 spinel nanospheres. Structural characterizations after durability testing indicate that the MA decay is likely associated with a decrease in the Mn 3+ fraction and the emergence of Cu + on CuMn 2 O 4 nano-octahedral surfaces. Finally, as a paradigm, this synthesis approach could be extended to other Mn-based spinel nanocatalysts with precise shape control, enabling us to understand and establish the relationship between the surface lattice/valence state and electrocatalytic properties.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Semi-Annual Report for Horizontal Compact High Temperature Gas Reactor (HC-HTGR) Development during Performance Period April 2023 – September 2023

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. Additionally, Argonne is providing analysis of the primary coolant system to ensure temperatures within the core remain below safety margins during steady-state and potential accident scenarios. This fourth semi-annual report summarized the progress made at Argonne on the two tasks during the second half of FY23. As a part of the RCCS design task, recent efforts have been made to complete a conceptual design of the RCCS for the HC-HTGR, including the design update of the water panel and system configuration favorable in point of view of fabrication and system operation. Design calculations were conducted under various heat load conditions to validate the system design. Transient simulations using RELAP5-3D were conducted to investigate system dynamics under transients of interest and to evaluate the system performance in the design condition. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat sink. In the primary system thermal hydraulics task, the preliminary analysis was performed for a long term pressurized conduction cooldown (PCC) transient. This analysis used a combination of a fully resolved and coarse homogenized mesh to predict the temperature distribution for the steady-state initial condition and the PCC transient. The steady-state initial condition was determined using a fully resolved full core model with 3D solid to 1D fluid coupling. The fully resolved mesh was also used to model the first 20 seconds of the PCC. The temperature difference between fuel pins and the graphite matrix becomes minimal and the dominant heat transfer shifts to a larger scale radially towards the RCCS. After 20 seconds, a homogenized coarse mesh is used, greatly reducing the computational costs of the model. These results demonstrate that the core is designed to passively remove enough decay heat in a protected loss of primary coolant flow to prevent an unsafe rise of core temperatures.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
NASA NTRS2022

Impact Simulation of Composite Panels for Aerospace Applications

The aerospace research community has been working towards the development of a comprehensive framework for the design of composite structures at the component, subassembly, assembly, and system levels. Such a framework requires accurate, efficient and easy-to-use mathematical and computational models that are in sync with physical reality. The research work in this paper is designed to help an aerospace structural engineer move towards this goal by simulating dynamic impact to composite panels. First, the existing orthotropic visco-elastic visco-plastic material model in LS-DYNA commercial finite element program, MAT_COMPOSITE_TABULATED_PLASTICITY_DAMAGE (MAT_213) is enhanced with the development and use of rate-dependent damage data. Using state-of-the-art experimental procedures, impact validation test data are created. Second, the versatility of the constitutive model is examined by its ability to simulate a low velocity (27 ft/s, 8 m/s) impact test, and two high velocity impact tests (385–417 ft/s, 117–127 m/s) that straddle the ballistic limit of the projectile and the composite panels. Third, these impact events are modeled using three different finite element types – under-integrated and fully-integrated solid elements, and fully-integrated thin shell elements. Insight into accuracy versus numerical efficiency is gained by comparing the performance of solid versus thin shell elements. The numerical results show that accurate predictions of these impact events can be obtained with reasonable effort and care.

Simulations↗
DOE OSTI2025

Topology-imprinting in nonlinear metasurfaces

Flat optical components, or metasurfaces, have transformed optical imaging, data storage, information processing, and biomedical applications by providing unprecedented control over light-matter interactions. These nano-engineered structures enable compact, multidimensional manipulation of light’s amplitude, phase, polarization, and wavefront, producing scalar and vector beams with unique properties such as orbital angular momentum and knotted topologies. This flexibility has potential applications in optical communication and imaging, particularly in complex environments such as atmospheric turbulence and undersea scattering. However, designing metasurfaces for shorter wavelengths, such as visible and ultraviolet light, remains challenging due to fabrication limitations and material absorption. Here, we introduce an innovative concept called topology imprinting using judiciously designed all-dielectric nonlinear optical metasurfaces to replicate desired waveforms at fundamental and harmonic frequencies, opening promising avenues for advanced photonic applications.

42 ENGINEERING↗
DOE OSTI2023

A Conceptual Design of the Reactor Cavity Cooling System for the Horizontal Compact High Temperature Gas Reactor (HC-HTGR)

Horizontal Compact High Temperature Gas Reactor (HC-HTGR) is being designed by a multi-disciplinary team of nuclear, mechanical, and structural engineers under the support of a DOE-NE Advanced Reactor Demonstration Program’s Advanced Reactor Concepts-20 (ARC-20) award. The objective of this ARC-20 project is to deliver a conceptual design for the proposed HC-HTGR in 3 years and support its commercialization as a safe, low-cost HTGR. Argonne National Laboratory (Argonne) is responsible for the design and analysis of the reactor cavity cooling system (RCCS) as a safety system for passive decay heat removal of the reactor concept. This report documents the design study to derive a conceptual design study of the RCCS for the HC-HTGR. It includes the identification of the functions and requirements of the HC-HTGR RCCS, design analyses including high-level design consideration and the calculations for optimizing design space of the system with supporting component-level analysis to inform the material selection and performance of the water panel, the description of the conceptual design of the HC-HTGR RCCS derived based on the analyses results, and performance evaluation of the conceptual RCCS for the HC-HTGR. A detailed concept of the RCCS has been identified and high-level system requirements has been developed for the HC-HTGR. Design space focusing on the natural circulation loop portion of the RCCS has been investigated to optimize the system performance. The initial baseline dimensions were firstly derived based on the scoping calculations. A component level design analysis was conducted for the water panel to inform the material selection and to assess its conduction performance. A preliminary system-level performance analysis was performed for the 1/8th of the compartment of the initial baseline design of the RCCS using RELAP5-3D. To improve the system thermal performance, the RCCS design has been updated by exploring various design options by design parametric analyses. Based on the results, the conceptual design of the RCCS for the HC-HTGR has been derived, which satisfies the target performance of ~1 MWt at the elevated vessel wall temperature conditions. Transient simulations were conducted for the conceptual RCCS design for the HC-HTGR under various operation modes and heat load conditions using RELAP5-3D. The system dynamics in different operating states was investigated and the system performance under transients of interest was evaluated. The results demonstrated the overall system feasibility that the RCCS design maintains structures temperatures lower than maximum allowable temperature with sufficient system inventory without any active heat removal in the design process with certain transients addressed. The HC-HTGR RCCS will have additional design updates of subsystems or optimization of the system components during the preliminary and final design phases. Since the entire plant has not been integrated yet, this delivered conceptual design is subject to changes for integration, that require additional conceptual design activities and Quality and Assurance implementation (Q&A). The performance assessment of the RCCS for the HC-HTGR will be then revisited and optimized to finalize the system design, and the RCCS integrated primary system analysis will be utilized to simulate selective accident scenarios of interest where efforts are currently undergoing in the project.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2018

Design of Hollow Nanostructures for Energy Storage, Conversion and Production

Abstract Hollow nanostructures have shown great promise for energy storage, conversion, and production technologies. Significant efforts have been devoted to the design and synthesis of hollow nanostructures with diverse compositional and geometric characteristics in the past decade. However, the correlation between their structure and energy‐related performance has not been reviewed thoroughly in the literature. Here, some representative examples of designing hollow nanostructure to effectively solve the problems of energy‐related technologies are highlighted, such as lithium‐ion batteries, lithium‐metal anodes, lithium–sulfur batteries, supercapacitors, dye‐sensitized solar cells, electrocatalysis, and photoelectrochemical cells. The great effect of structure engineering on the performance is discussed in depth, which will benefit the better design of hollow nanostructures to fulfill the requirements of specific applications and simultaneously enrich the diversity of the hollow nanostructure family. Finally, future directions of hollow nanostructure design to solve emerging challenges and further improve the performance of energy‐related technologies are also provided.

Wang, Jiangyan↗