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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 775 records · Page 43
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

A Dual Approach in Direct Ink Writing of Thermally Cured Shape Memory Rubber Toughened Epoxy

Bisphenol A-based epoxies are much used in a wide range of composite and coating applications due to their excellent thermomechanical properties. However, their 3D printability remains a challenge with most reported materials suffering from high brittleness and low toughness. In this work, we have described especially modified epoxy resins that enable 3D printing with both fast and slow curing rates. These materials exhibit greatly enhanced toughness, tunable thermomechanical properties, and excellent shape memory behavior. Two different printing systems, including a two-part static mixing printhead and a single extrusion printhead, were developed for fast- and slow-curing epoxies, respectively. The rheology of inks in both systems has been modified into printable thixotropic fluids with the aid of silica nanoparticles and other additives. Epoxide-functionalized telechelic polybutadiene was added into the resins, which are then introduced inside the epoxy network after cross-linking. The addition of polybutadiene rubber significantly improves the toughness (over 135%), fracture strain (over 200%), and shape memory behavior. By adding different amounts of the rubber telechelic, thermomechanical properties, including modulus, elongation, and Tg of epoxy, can be well controlled in a wide range to satisfy different applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2021

Quantifying the hierarchy of structural and mechanical length scales in granular systems

Continuum modeling of granular media is made possible by the existence of a length scale at and above which grain-resolved properties can be meaningfully homogenized. Progress has been made in identifying such length scales relevant to local structural properties such as porosity. However, a systematic analysis of scales above which different mechanical properties can be homogenized has yet to emerge. Here, X-ray tomography and 3D X-ray diffraction data are examined to identify such length scales. The data was obtained in-situ in compressed granular materials with rigid and flexible confinement. The experimental data are supplemented with validated discrete element simulations which examine different system sizes and different boundary conditions. Overall, our study reveals a hierarchy in the length scales of granular solids, with lengths governing structural variables being the shortest, lengths of stress variables being intermediate, and lengths of energy dissipation being the longest. All structural and mechanical length scales obey a power law based on the theory of Geostatistics, implying that the length scales can be found by analyzing samples significantly smaller than the length scales themselves. The length scales are also found to be sensitive to boundary conditions, implying that they are extrinsic features of granular media.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Evaluating the mutagenicity of N-nitrosodimethylamine in 2D and 3D HepaRG cell cultures using error-corrected next generation sequencing

Human liver-derived metabolically competent HepaRG cells have been successfully employed in both two-dimensional (2D) and 3D spheroid formats for performing the comet assay and micronucleus (MN) assay. In the present study, we have investigated expanding the genotoxicity endpoints evaluated in HepaRG cells by detecting mutagenesis using two error-corrected next generation sequencing (ecNGS) technologies, Duplex Sequencing (DS) and High-Fidelity (HiFi) Sequencing. Both HepaRG 2D cells and 3D spheroids were exposed for 72 h to N-nitrosodimethylamine (NDMA), followed by an additional incubation for the fixation of induced mutations. NDMA-induced DNA damage, chromosomal damage, and mutagenesis were determined using the comet assay, MN assay, and ecNGS, respectively. The 72-h treatment with NDMA resulted in concentration-dependent increases in cytotoxicity, DNA damage, MN formation, and mutation frequency in both 2D and 3D cultures, with greater responses observed in the 3D spheroids compared to 2D cells. The mutational spectrum analysis showed that NDMA induced predominantly A:T → G:C transitions, along with a lower frequency of G:C → A:T transitions, and exhibited a different trinucleotide signature relative to the negative control. These results demonstrate that the HepaRG 2D cells and 3D spheroid models can be used for mutagenesis assessment using both DS and HiFi Sequencing, with the caveat that severe cytotoxic concentrations should be avoided when conducting DS. With further validation, the HepaRG 2D/3D system may become a powerful human-based metabolically competent platform for genotoxicity testing.

3D spheroids↗
DOE OSTI2021

Demonstrate Capability of NEAMS Tools to Generate Reactor Kinetics Parameters for Pebble-Bed HTGRs Transient Modeling

The system analysis of anticipated operating occurrences and design basis accident for pebblebed reactor systems requires knowledge of the neutron kinetic parameters. These parameters take into account various types of feedback from the pebble-bed core and are typically integrated into system analysis tools such as the System Analysis Module (SAM) in the Nuclear Energy Advanced Modeling and Simulation (NEAMS) tool package. These parameters are typically generated by a higher fidelity full-core coupled neutronics/thermal fluids analysis, such as using Griffin and Pronghorn, in 2D or 3D. The delayed neutron fractions (beta) and the neutron lifetimes (lambda) are typically generated by applying the adjoint solution of the neutron flux. Temperature reactivity coefficients are the most important feedback for all anticipated operating occurrences and design basis accident, then depending on the transient other effects might be important as rector control system worth, s-curves, and Xenon generation. This work package will establish a methodology and process for calculating the reactor kinetics parameters for high-temperature gas-cooled reactor and provide them in a suitable form for system level analyses of typical anticipated operating occurrences and design basis accident.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Testing of spark plasma sintered porous tungsten under neon glow discharge cleaning conditions in LTX-β

This paper demonstrates that tungsten (W) based powder reconstituted Plasma Facing Components (PFCs) can be treated in situ in a fusion reactor to remove W oxide and carbon (C) contamination. Doing so should ease the challenge of using these materials in a Capillary Porous System (CPS) with lithium (Li) by enabling better wetting and less contamination of the Li by the underlying CPS. Most powder reconstituted materials including 3D printed and sintered PFCs suffer from a high surface contamination from oxides and surface C, which complicates their use with liquid Li, a primary PFC candidate. Spark plasma sintered porous W samples were fabricated to be used as a CPS with liquid Li. The samples were characterized in terms of morphology and surface chemistry. Analysis confirms a high C and oxygen (O) contamination. We present the results of exposing this type of CPS to Glow Discharge Cleaning (GDC) cycles in the Lithium Tokamak Experiment-β (LTX-β). The sample was exposed to neon (Ne) GDC in the midplane of the low-field side of LTX-β and analyzed in vacuo with Temperature Programmed Desorption (TPD) and Secondary Ion Mass Spectrometry (SIMS) to investigate the effects the Ne GDC had on the chemical composition of the sample. The combination of Ne GDC with rapid heating as done in TPD was successful in reducing the W oxides and removing the C contamination.

Capillary porous system↗
DOE OSTI2020

Mixed Material Scintillator Systems Quarterly Report FY20Q4

This project aims to invent, model, and prototype architected multimaterial scintillator systems (AMSSs), a new class of radiation detectors that use heterogenous internal structures of different scintillating materials to detect additional properties of radiation. These internal structures can be produced using additive manufacture (AM, i.e. 3D printing) of scintillator, a currently emerging application of additive manufacture technology. AMSSs combine the low cost and complexity of conventional scintillation detectors with capabilities currently only available in more expensive and complex detectors. By identifying promising AMSS designs, this project will enable a new class of detectors to meet DNN’s mission needs for SNM detection. In past reporting, we have described this detector concept as “mixed material scintillator systems” (MMSS), but as part of preparing papers for publication we have concluded the term “architected multimaterial scintillator systems” (AMSS) better reflects the importance of structure in these detectors. We plan to use the AMSS acronym going forward. This quarter, we participated in an Independent Assessment of the work so far. The panelists on the review concluded that the AMSS concept has great potential and our work so far was effective at bringing that potential to light. They highly encouraged further work on this topic. The panelists also had several useful suggestions, which we took to heart. This review is described in more detail below. This quarter saw a resumption of work on the final task of this project, prototyping. In the first half of the quarter, this work focused on solving specific technical barriers to achieve 1x1x1 cm prints. In the second half, we focused on producing high-quality samples and making characterization measurements of those samples, with an eye on our deliverable report on the prototyping task. This report can be expected along with the end-of-year report on October 30. This project successfully spent the entirety of its remaining funds this quarter, except for $13k refunded to this project in the last days of the fiscal year due to LLNL cost adjustments. This project has captured the interest of many LLNL experts, and so we have been able to effectively use our budget to harness the available effort.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2024

Progress in the HTTF Benchmark and RELAP5-3D Gas-Cooled Reactor Validation

This slide set presents results of analysis done in the first year after the kickoff of the HTTF benchmark. This work includes the development of a new RELAP5-3D model of the facility and collection and presentation of results from one of the exercises in the benchmark. Highlights include good agreement between the new and legacy models for full-power steady state and similar predictions of maximum block temperature during a pressurized conduction cooldown. Additionally, code-to-code comparisons of a full-power steady state and depressurized conduction cooldown (DCC) from full-power steady state as part of Problem 2 Exercises 1A and 1B show good agreement on temperatures predicted in the core but considerable spread in central reflector temperatures. During the DCC, temperature behavior is similar across all models, but cooldown rates are dictated by the performance of the reactor cavity cooling system

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Noise-aware optimization in nominally identical manufacturing and measuring systems for high-throughput parallel workflows

Device-to-device variability in experimental noise critically impacts reproducibility, especially in automated, high-throughput systems like additive manufacturing farms. While manageable in small labs, such variability can escalate into serious risks at larger scales, such as architectural 3D printing, where noise may cause structural or economic failures. This contribution presents a noise-aware decision-making algorithm that quantifies and models device-specific noise profiles to manage variability adaptively. It uses distributional analysis and pairwise divergence metrics with clustering to choose between single-device and robust multi-device Bayesian optimization strategies. Unlike conventional methods that assume homogeneous devices or enforce generic robustness, the proposed framework explicitly determines whether shared optimization across devices is appropriate based on the degree of inter-device noise heterogeneity. This enables improved performance, reproducibility, and efficiency. An experimental case study involving three nominally identical 3D printers (same brand, model, and close serial numbers) demonstrates reduced redundancy, lower resource usage, and improved reliability, along with improved convergence stability and solution quality through the selection of the appropriate optimization strategy based on the degree of inter-device noise heterogeneity. Overall, this framework establishes a general approach for precision- and resource-aware optimization in scalable, automated experimental platforms, demonstrated here on a representative multi-device 3D printing case study.

Schenk, Christina↗
DOE OSTI2020

Efficient bi-directional coupling of 3D computational fluid-particle dynamics and 1D Multiple Path Particle Dosimetry lung models for multiscale modeling of aerosol dosimetry

The development of predictive aerosol dosimetry models has been a major focus of environmental toxicology and pharmaceutical health research for decades. One-dimensional (1D) models successfully predict overall deposition averages but fail to accurately predict local deposition. Computational fluid-particle dynamics (CFPD) models provide site-specific predictions but at a computational cost that prohibits whole lung predictions. Thus, there is a need for developing multiscale strategies to provide a realistic subject-specific picture of the fate of inhaled aerosol in the lungs. CT-based 3D/CFPD models of the large airways were bidirectionally coupled with individualized 1D Navier-Stokes airflow and particle transport based upon the widely used Multiple Path Particle Dosimetry Model (MPPD). Distribution of airflows among lobes was adjusted by measured lobar volume changes observed in CT images between FRC and FRC + 1.5 L. Additionally, as a test of the effectiveness of the coupling procedures, deposition modeling of previous 1 µm aerosol exposure studies was performed. The complete coupled model was run for 3 breaths, with the computation-intense portion being the 3D CFD Lagrangian particle tracking calculation. The average deposition per breath was 11% in the combined multiscale model with site-specific doses available in the CFPD portion of the model and airway- or region-specific deposition available for the MPPD portion. In conclusion, the key methods developed in this study enable predictions of ventilation heterogeneities and aerosol deposition across the lungs that are not captured by 3D or 1D models alone. Overall, these methods can be used as the foundation for multi-scale modeling of the full respiratory system.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2024

Biopolymer-supramolecular polymer hybrids for photocatalytic hydrogen production

Solar generation of H 2 is a promising strategy for dense energy storage. Supramolecular polymers composed of chromophore amphiphile monomers containing perylene monoimide (PMI) have been reported as crystalline light-harvesting assemblies for aqueous H 2 -evolving catalysts. Gelation of these supramolecular polymers with multivalent ions creates hydrogels with high diffusivity but insufficient mechanical stability and catalyst retention for reusability. We report here on using sodium alginate (SA) biopolymer to both induce supramolecular polymerization of PMI and co-immobilize them with catalysts in a robust hydrogel with high diffusivity that can also be 3D-printed. Faster mass transfer was achieved by controlling the material macrostructure by reducing gel diameter and microstructure by reducing biopolymer loading. Optimized gels produce H 2 at rates rivaling solution-based PMI and generate H 2 for up to 6 days. The PMI assemblies in the SA matrix create a percolation network capable of bulk-electron transfer under illumination. These PMI–SA materials were then 3D-printed on conductive substrates to create 3D hydrogel photoelectrodes with optimized porosity. The design of these versatile hybrid materials was bioinspired by the soft matter environment of natural photosynthetic systems and opens the opportunity to carry out light-to-fuel conversion within soft matter with arbitrary shapes and particular local environments.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Optically induced changes in the band structure of the Weyl charge-density-wave compound (TaSe 4 ) 2 I

Collective modes are responsible for the emergence of novel quantum phases in topological materials. In the quasi-one dimensional (1D) Weyl semimetal (TaSe 4 ) 2 I , a charge density wave (CDW) opens band gaps at the Weyl points, thus turning the system into an axionic insulator. Melting the CDW would restore the Weyl phase, but 1D fluctuations extend the gapped regime far above the 3D transition temperature (T CDW = 263 K), thus preventing the investigation of this topological phase transition with conventional spectroscopic methods. Here we use a non-equilibrium approach: we perturb the CDW phase by photoexcitation, and we monitor the dynamical evolution of the band structure by time- and angle-resolved photoelectron spectroscopy. We find that, upon optical excitation, electrons populate the linearly dispersing states at the Fermi level (E F ), and fill the CDW gap. The dynamics of both the charge carrier population and the band gap renormalization (BGR) show a fast component with a characteristic time scale of a few hundreds femtoseconds. However, the BGR also exhibits a second slow component on the µs time scale. The combination of an ultrafast response and of persistent changes in the spectral weight at E$_\mathrm{F}$, and the resulting sensitivity of the linearly dispersing states to optical excitations, may explain the high performances of (TaSe 4 ) 2 I as a material for broadband infrared photodetectors.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Smart Packaging for Critical Energy Shipment (SPaCES)

Recent technical advances have brought forth revolutionary Smart Packaging (SP) technology. SP incorporates multiple electronics, chemical, and mechanical sensing technologies into packaging materials, and utilizes them to monitor and display package content status. SP can also employ embedded micro actuators to react to undesirable package conditions such as moisture/temperature anomalies or harmful chemical reactions and neutralize it. When further integrated with wireless sensing and secure networking, SP provides wholistic system-wide remote situation awareness capability for real-time crisis management. Finally, we also see that SP can be further integrated with 3D printing technology to offer form-factor customization and application specific solutions suitable for DOE (Department of Energy) NNSA’s (National Nuclear Security Administration) R/N (radiological/nuclear) material shipment and management needs; this has the potential to improve safety, security, and overall operation process quality. This report surveys SP technology as the state of the art (SOTA) and analyzes how it can integrate with cybersecurity and 3D printing to address NNSA’s critical R/N material shipment and storage requirements. This report further presents our FY23/24 investigation plan describing project background, goal, motivation, proposed work, and statement of work and cost.

47 OTHER INSTRUMENTATION↗
DOE OSTI2022

Status of the OECD/NEA Watts Bar unit 1 benchmark and calculations of local reactor core power data of the Zero Power physics tests

The paper aims to provide an update on the status of the Organization for Economic Cooperation and Development (OECD) / the Nuclear Energy Agency (NEA) Tennessee Valley Authority (TVA) Watts Bar 1 (WB1) Multi-Physics Multi-Cycle depletion benchmark and the results associated with Exercise 1. The benchmark relies on the set of benchmark progression problems developed by the Department of Energy (DOE) Consortium for the Advanced Simulation of Light Water Reactors (CASL) for the Virtual Environment for Reactor (VERA), which are based on real plant design and operational data. The OECD/NEA TVA WB1 benchmark is designed for validation of both traditional and novel high-fidelity multi-physics codes to analyze Pressurized Water Reactors (PWR) depletion cycles. The activities are conducted under the Expert Group on Reactor Systems Multi-Physics (EGMUP) at NEA/OECD. In this work, we analyze Exercise 1 of the benchmark: stand-alone Three-Dimensional (3D) neutronics at Start-up Zero Power Physics Test (ZPPT) at Hot Zero Power Conditions (HZP) and the resulting power maps. The code used to model the exercise is the continuous energy Monte Carlo code Serpent 2.1.31 along with the nuclear data library ENDF/B-VII.1. Serpent results are compared with the high-fidelity deterministic code MPACT, which is part of VERA. The paper presents three selected results from power calculations required output. The results compared are the normalized axially integrated radial core power maps, the normalized axial averaged core power shapes, and the normalized core hottest and coldest assemblies radial power maps. The Root Mean Square Deviation (RMSD) between Serpent and MPACT is 0.51 % for the axially integrated radial core power map, 1.41 % for the axial averaged core power shape, 2.42 % for the hottest assembly axial power shape, 0.88 % for the coldest assembly axial integrated hottest assembly radial pin power map, and 0.17 % for the axially integrated coldest assembly radial pin power map. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
DOE OSTI2025

Real-time process monitoring and automated control for direct ink write 3D printing of frontally polymerizing thermosets

Additive manufacturing (AM) enables the fabrication of complex geometries, yet its application to thermosets remains limited by post-processing requirements. Frontal ring-opening metathesis polymerization (FROMP) offers a promising alternative, enabling energy-efficient, in situ curing of freestanding thermoset structures. This study presents a real-time process monitoring and automated control system for direct ink writing (DIW) of FROMP thermosets. By integrating thermochromic leuco dyes and computer vision, we enable real-time polymerization front tracking, allowing autonomous printing parameter adjustments for consistent geometries across resin formulations. The system’s accuracy was validated against manual tracking, demonstrating precise front velocity detection. Its adaptability was confirmed by printing freestanding mechanical springs with different resins, achieving consistent geometries and mechanical properties despite front velocity variations. These findings highlight the potential of automated DIW control for scalable, repeatable, and material-agnostic 3D printing of thermosets.

Mejia, Edgar Brian [Sandia National Laboratories (↗
DOE OSTI2021

Assessing the Activity of Ni Clusters Supported on TiC(001) toward CO 2 and H 2 Dissociation

Small Ni particles supported on TiC(001) were shown to display a very high activity for the catalytic hydrogenation of CO 2 but the underlying chemistry is, to a large extent, unknown. Here, by means of periodic density functional theory (DFT) calculations with the BEEF–vdW functional, we explore the adsorption and subsequent dissociation of CO 2 and H 2 on several Ni n clusters ( n = 4, 9, 13, and 16) supported on TiC(001) and compare the results to those obtained for the bare Ni(111) and TiC(001) surfaces using exactly the same computational approach. The calculations reveal that the Ni n /TiC system exhibits stronger adsorption energies and lower dissociation energy barriers for CO 2 and H 2 than the bare Ni(111) and TiC(001) surfaces. Furthermore, this is in line with the experimental finding evidencing that the Ni/TiC system has a catalytic activity higher than that of the separated Ni and TiC constituents. In addition, the calculated results show that two-dimensional (2D) supported clusters adsorb CO 2 and H 2 stronger than the three-dimensional (3D) supported clusters and also the 2D clusters exhibit lower energy barriers for CO 2 dissociation. Within the 2D supported clusters, larger particles feature slightly stronger adsorption energies and lower CO 2 dissociation energy barriers. Finally, H 2 dissociation proceeds with a very low energy barrier on all of the studied models, which makes these novel systems potential good candidates for hydrogenation reactions.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Modular Subsurface Sensors and Integrated Software for Advanced Subsurface Characterization and Monitoring using Unoccupied Vehicles

The advent and subsequent proliferation of autonomous airborne, waterborne, and groundbased vehicles (i.e., “drones”) promises to broadly transform the geosciences and associated industries, including fossil energy exploration and development, mineral resource exploration and development, water-resource management, and environmental remediation. For geophysical characterization and monitoring, the prospect of programming highly repeatable and low-cost drone missions for subsurface imaging will allow for deployments in hazardous and previously inaccessible areas. Coupled with autonomous workflows for data processing, management, and visualization, drone-based geophysical characterization and monitoring will enable unprecedented, real-time insight into diverse subsurface properties and processes of scientific and engineering importance. Toward this end, the objectives of this Lab Directed Research and Development (LDRD) project were to develop new (1) instrumentation for dronebased electromagnetic induction (EMI) geophysical imaging, including separated transmitter and receivers and associated electronics, (2) software for real-time data telemetry, processing, management, and visualization. Although EMI has been previously deployed using unoccupied aerial systems (UASs), these applications failed to capitalize on the game-changing capabilities of drone platforms. Whereas drone-based data acquisition allows for collection of rich, three-dimensional (3D) multi-offset/multi-angle configurations between transmitters and receivers, past efforts have relied on conventional instrumentation that was designed for ground-based data collection with the transmitter and a single receiver housed in the same unit; nor did these previous applications demonstrate real-time delivery of results to support rapid management decisions in the field. In this 1-year project, we (1) designed and constructed new lightweight independent transmitter and receiver antenna platforms that communicate with a laptop computer; (2) developed software to control data acquisition, manage/transfer data, and visualize data as its collected; and (3) demonstrated the operation of the new hardware and software systems in a ground-based field test. Our work entails major technological advances for EMI and established a foundation on which to build a new drone-based, real-time geophysical EMI imaging capability to support diverse challenges facing the nation.

47 OTHER INSTRUMENTATION↗
DOE OSTI2024

From Feast to Famine: A Systematic Study of Accretion onto Oblique Pulsars with 3D GRMHD Simulations

Disk-fed accretion onto neutron stars can power a wide range of astrophysical sources ranging from X-ray binaries, to accretion-powered millisecond pulsars, ultraluminous X-ray sources, and gamma-ray bursts. A crucial parameter controlling the gas–magnetosphere interaction is the strength of the stellar dipole. In addition, coherent X-ray pulsations in many neutron star systems indicate that the star's dipole moment is oblique relative to its rotation axis. Therefore, it is critical to systematically explore the 2D parameter space of the star's magnetic field strength and obliquity, which is what this work does, for the first time, in the framework of 3D general-relativistic magnetohydrodynamics. If the accretion disk carries its own vertical magnetic field, this introduces an additional factor: the relative polarity of the disk and stellar magnetic fields. We find that depending on the strength of the stellar dipole and the star–disk relative polarity, the neutron star's jet power can either increase or decrease with increasing obliquity. For weak dipole strength (equivalently, high accretion rate), the parallel polarity results in a positive correlation between jet power and obliquity, whereas the antiparallel orientation displays the opposite trend. For stronger dipoles, the relative-polarity effect disappears, and jet power always decreases with increasing obliquity. The influence of the relative polarity gradually disappears as obliquity increases. Highly oblique pulsars tend to have an increased magnetospheric radius, a lower mass accretion rate, and enter the propeller regime at lower magnetic moments than aligned stars.

79 ASTRONOMY AND ASTROPHYSICS↗