Lithography-Based Additive Manufacturing of Ceramics and Metals for Structural Integrity, Joining, and Multi-Material Integration
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Cillessen, Dale [Sandia National Laboratories (SNL↗
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Medium-temperature phase change material integration in domestic heat pump water heaters for improved thermal energy storage
In this review, we examine state-of-the-art developments in integrating phase change materials (PCMs) for thermal energy storage (TES) in domestic heat pump water heaters (HPWHs). The component design optimization and control optimization of HPWHs and TES are reviewed for insight into improving the thermal capacity and efficiency of a PCM-integrated HPWH. The state-of-the-art review is categorized by the stage of development of the PCM for deployment in HPWHs. To select appropriate PCMs for HPWHs, a six-factor down-selection process is used to determine the best material(s) for integration in HPWHs with appropriate heat exchanger design. Ultimately, food-grade PCMs appear to be the best candidate for integration of TES in domestic HPWHs because they are nontoxic, highly cyclable, and have heat transfer properties accommodable to water heating when integrated in a manner to overcome the thermal conductivity limitations of the material. A key parameter of water heating performance is thermal heating power of the PCM component, which is not often reported. Many studies report significant improvement in capacity and efficiency. Furthermore, many performance metrics are identified from the literature to quantify the system performance, but agreement across studies is not found. Unified energy factor and first hour rating performance tests are required for commercially available HPWHs, and these performance metrics could homogenize the literature. Ultimately, we find that select PCMs are ready for deployment with HPWHs for performance improvement, and component design and control optimizations are new avenues of research and development required for a commercially viable PCM-integrated HPWH system.
25 ENERGY STORAGE↗
Integration of Silica in G4CMP for Phonon Simulations: Framework and Tools for Material Integration
Superconducting detectors with sub-eV energy resolution have demonstrated success setting limits on Beyond the Standard Model (BSM) physics due to their unique sensitivity to low-energy events. G4CMP, a Geant4-based extension for condensed matter physics, provides a comprehensive toolkit for modeling phonon and charge dynamics in cryogenic materials. This paper introduces a technical formalism to support the superconducting qubit and low-threshold detector community in implementing phonon simulations in custom materials into the G4CMP. As a case study, we present the results of a detailed analysis of silica phonon transport properties relevant for simulating substrate backgrounds in Beryllium Electron capture in Superconducting Tunnel junctions (BeEST)-style experiments using G4CMP. Additionally, Python-based tools were developed to aid users in implementing their own materials and are available on the G4CMP repository.
75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
The laboratory of Babel: highlighting community needs for integrated materials data management
In this perspective, we highlight the need to integrate data management infrastructure across scales to best take advantage of advancements in automated and autonomous experimental methods in materials science.
Pelkie, Brenden G.↗
Phase change material integrated core–shell catalyst for in situ thermal control in methanol synthesis from syngas
A model-guided core–shell catalyst design is presented for methanol synthesis, featuring a phase change material (PCM) core encapsulated by a Cu–Zn–Al 2 O 3 (CZA) catalytic shell. The PCM enables in situ thermal management by absorbing reaction heat at its melting point, mitigates the kinetic decline at high temperatures and therefore avoids low conversion, prevents hot spots, and stabilizes the reaction temperature. A two-dimensional axisymmetric, non-isothermal packed-bed reactor model (COMSOL 6.3) was developed for a 10 g system. Simulations evaluate three PCM candidates, that is, LiNO 3 , 9 wt% LiCl + 91 wt% LiNO 3 , and commercial H250, with melting points near 244–250°C. Results indicate that CO conversion can increase from 34.4% to 52.4%, and methanol production can improve by 69% compared to a conventional packed-bed reactor. Beyond methanol synthesis, the PCM-integrated core–shell concept provides a scalable approach for thermal control in exothermic reactions, improving reactor efficiency and safety.
core–shell catalyst↗
Mitigation of nitrogen vacancy photoluminescence quenching from material integration for quantum sensing
The nitrogen-vacancy (NV) color center in diamond has demonstrated great promise in a wide range of quantum sensing. Recently, there have been a series of proposals and experiments using NV centers to detect spin noise of quantum materials near the diamond surface. This is a rich complex area of study with novel nano-magnetism and electronic behavior, that the NV center would be ideal for sensing. However, due to the electronic properties of the NV itself and its host material, getting high quality NV centers within nanometers of such systems is challenging. Band bending caused by space charges formed at the metal-semiconductor interface force the NV center into its insensitive charge states. Here, we investigate optimizing this interface by depositing thin metal films and thin insulating layers on a series of NV ensembles at different depths to characterize the impact of metal films on different ensemble depths. We find an improvement of coherence and dephasing times we attribute to ionization of other paramagnetic defects. The insulating layer of alumina between the metal and diamond provide improved photoluminescence and higher sensitivity in all modes of sensing as compared to direct contact with the metal, providing as much as a factor of 2 increase in sensitivity, decrease of integration time by a factor of 4, for NV T 1 relaxometry measurements.
36 MATERIALS SCIENCE↗
Thermal Vacuum Test of Ice as a Phase Change Material Integrated with a Radiator
Water may be used as radiation shielding for Solar Particle Events (SPE) to protect crewmembers in the Lunar Electric Rover (LER). Because the water is already present for radiation protection, it could also provide a mass efficient solution to the vehicle's thermal control system. This water can be frozen by heat rejection from a radiator and used as a Phase Change Material (PCM) for thermal storage. Use of this water as a PCM can eliminate the need for a pumped fluid loop thermal control system as well as reduce the required size of the radiator. This paper describes the testing and analysis performed for the Rover Engineering Development Unit (REDU), a scaled-down version of a water PCM heat sink for the LER. The REDU was tested in a thermal-vacuum chamber at environmental temperatures similar to those of a horizontal radiator panel on the lunar surface. Testing included complete freeze and melt cycles along with scaled transient heat load profiles simulating a 24-hour day for the rover.
Lee, Steve↗
Thermal Vacuum Test of Ice as a Phase Change Material Integrated with a Radiator
Water may be used as radiation shielding for Solar Particle Events (SPE) to protect crewmembers in the Lunar Electric Rover (LER). Because the water is already present for radiation protection, it could also provide a mass efficient solution to the vehicle's thermal control system. This water can be frozen by heat rejection from a radiator and used as a Phase Change Material (PC1V1) for thermal storage. Use of this water as a PCM can eliminate the need for a pumped fluid loop thermal control system as well as reduce the required size of the radiator. This paper describes the testing and analysis performed for the Rover Engineering Development Unit (REDU), a scaled-down version of a water PCM heat sink for the LER. The REDU was tested in a thermal-vacuum chamber at environmental temperatures similar to those of a horizontal radiator panel on the lunar surface. Testing included complete freeze and melt cycles along with scaled transient heat load profiles simulating a 24-hour day for the rover.
Lee, Steve A.↗
Corrosion proxy material integrated sensor devices for distributed sensing of early corrosion onset and corrosion quantification
Embodiments relate to methods, systems and apparatus for detecting corrosion using a detector apparatus with a host component. The method includes a detector apparatus. The detector apparatus includes an energy source; a corrosion proxy thin film that corrodes at a rate where the normalized change of mass of the film over time is greater than the normalized change of mass of the bulk material of the host component in a harsh environment; and the detector, wherein the detector is capable of detecting a change in energy due to corrosion of the corrosion proxy thin film. The method includes exposing the host component and the corrosion proxy thin film to the harsh environment; and detecting a change in energy using the detector due to corrosion of the corrosion proxy thin film.
Ohodnicki, Jr., Paul R.↗
MagicMat: Materials Genome and Integrated Computational Materials Toolkit
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36 MATERIALS SCIENCE↗
X-Ray Computed Tomography Inspection of the Stardust Heat Shield
The "Stardust" heat shield, composed of a PICA (Phenolic Impregnated Carbon Ablator) Thermal Protection System (TPS), bonded to a composite aeroshell, contains important features which chronicle its time in space as well as re-entry. To guide the further study of the Stardust heat shield, NASA reviewed a number of techniques for inspection of the article. The goals of the inspection were: 1) to establish the material characteristics of the shield and shield components, 2) record the dimensions of shield components and assembly as compared with the pre-flight condition, 3) provide flight infonnation for validation and verification of the FIAT ablation code and PICA material property model and 4) through the evaluation of the shield material provide input to future missions which employ similar materials. Industrial X-Ray Computed Tomography (CT) is a 3D inspection technology which can provide infonnation on material integrity, material properties (density) and dimensional measurements of the heat shield components. Computed tomographic volumetric inspections can generate a dimensionally correct, quantitatively accurate volume of the shield assembly. Because of the capabilities offered by X-ray CT, NASA chose to use this method to evaluate the Stardust heat shield. Personnel at NASA Johnson Space Center (JSC) and Lawrence Livermore National Labs (LLNL) recently performed a full scan of the Stardust heat shield using a newly installed X-ray CT system at JSC. This paper briefly discusses the technology used and then presents the following results: 1. CT scans derived dimensions and their comparisons with as-built dimensions anchored with data obtained from samples cut from the heat shield; 2. Measured density variation, char layer thickness, recession and bond line (the adhesive layer between the PICA and the aeroshell) integrity; 3. FIAT predicted recession, density and char layer profiles as well as bondline temperatures Finally suggestions are made as to future uses of this technology as a tool for non-destructively inspecting and verifying both pre and post flight heat shields.
McNamara, Karen M.↗
Lightweight Materials - Carbon Fiber and Polymer Composites, Integrated Computational Materials Engineering (ICME) Predictive Tools Development for Low-Cost Carbon Fiber for Lightweight Vehicles (University of Virginia) (Final Report)
This project aimed to develop low-cost alternative precursors and processing techniques through the implementation of an integrated computational materials engineering (ICME) framework to evaluate precursor conversion kinetics. Once established, this framework was then used to down-select precursors for laboratory- and pilot-scale production to validate resulting carbon fiber (CF) material properties and process cost-savings. The two most promising approaches to reduce the cost of CFs were to (1) use new low-cost precursors and (2) reduce the energy requirements of CF processing. These approaches were investigated over the course of three phases of work, spanning 3.5 years. This report describes the overall project objectives, approach, and the key accomplishments in each phase.
36 MATERIALS SCIENCE↗
7th World Congress on Integrated Computational Materials Engineering (ICME 2023) (Final Technical Report)
Integrated Computational Materials Engineering (ICME) has received international attention due to its potential to shorten product development time, while lowering cost and improving design and manufacturing outcomes. ICME is an approach to designing materials solutions for specific applications that use computer modeling programs to predict the behavior of materials and integrate this information into the overall materials, processing, and manufacturing design cycle. The 7th World Congress on Integrated Computational Materials Engineering (ICME 2023) was held in Orlando, Florida from May 21–25, 2023 with the goal to convene stakeholders from across all areas of modeling and simulation, experimental specialization, and design, as well as from across academia, government, and industry, to address ICME tools and techniques and their integration, as well as to examine their application in engineering. This atmosphere facilitated rich interactions between the experimentalists, modelers, and computational and design, from academia, government, and industry, to discuss ICME tools and techniques and their application in engineering.
36 MATERIALS SCIENCE↗
Integrated lignocellulosic biorefinery for efficient production of furans and photothermal materials
Integrated lignocellulosic biorefineries offer a great potential to valorize all the components in lignocellulose into products, including fuels, chemicals, and materials. However, because of lignocellulose recalcitrance, conversion of bioresources remains a techno-economic challenge for many lignocellulosic biorefineries. In this work, we have proposed a sustainable and profitable biorefinery strategy for lignocellulose fractionation and conversion. In this design, a biphasic solvent consisting of a molten salt hydrate LiCl·4H 2 O and γ-valerolactone (GVL) was initially used for separating hemicellulose from lignocellulose. More interestingly, 100 wt% of biorefinery products from lignin were directly converted to functional photothermal materials by coordinating with Fe 3+ for solar-thermal-electricity conversion. Attributed to this rational design, we report the techno-economic analysis predicts a revenue of 439.3 USD by processing 100 kg of lignocellulosic biomass using the above developed method.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
Deposition of integrated protective material into zirconium cladding for nuclear reactors by high-velocity thermal application
A zirconium alloy nuclear reactor cylindrical cladding has an inner Zr substrate surface, an outer volume of protective material, and an integrated middle volume of zirconium oxide, zirconium and protective material, where the protective material is applied by impaction at a velocity greater than 340 meters/second to provide the integrated middle volume resulting in structural integrity for the cladding.
Mazzoccoli, Jason P.↗
2040 Vision: A Roadmap for Integrated, Multiscale Materials and System Modeling and Simulation
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. While these advances have driven significant progress in the development of aerospace components and systems, that progress has been limited by persistent technology and infrastructure challenges that must be overcome to realize the full potential of integrated materials and systems design and simulation modeling throughout the supply chain. 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 describe 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). This roadmap is a community consensus document and is a result of over 450 professionals input obtain via: i) four society workshops (AIAA, NAFEMS, and two TMS), ii) community-wide survey, and iii) the establishment of 9 expert panels (one per key element) consisting on average 10 non-team members from academia, government and industry to review, update content, and prioritize gaps and actions. It is NASA's hope and desire that this roadmap 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.
Multiscale Modeling↗
Electric flight systems integration
Materials illustrating a presentation on the integration of components and subsystems of electric flight systems are presented. The technology issues are outlined, and near and far term implications of issues affecting the systems integration are outlined.
Hood, R. V.↗
Energy Materials Chemistry Integrating Theory, Experiment and Data Science (Final Report)
The Energy Materials Chemistry Integrating Theory, Experiment and Data Science (EM-CITED) project is a multidisciplinary research effort focused on accelerating discovery of scientific knowledge via incorporation of data science and artificial intelligence in materials chemistry research. The project aims to advance materials chemistry-aware data science to unify theory and experiment knowledge streams. The work resulted in foundational AI frameworks for materials chemistry – Deep Reasoning Networks (DRNets), Hierarchical Correlation Learning for Multi-property Prediction (H-CLMP), and Material-to-Spectrum (Mat2Spec) prediction – as well as a host of strategies for accelerated scientific discoveries through principled incorporation of data science in computational and experimental research.
36 MATERIALS SCIENCE↗