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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 19 records
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Discrete element simulation of Pebble Bed Reactors on graphics processing units

Prediction of pebble positions in a Pebble Bed Reactor (PBR) is necessary for both reactor physics and thermal hydraulics simulations as the arrangement of pebbles has a significant impact on the resulting core power, coolant flow, and fuel temperature. Knowledge of pebble movement as the fuel is cycled through the core is also critical for predicting the fuel residence time and subsequently, the fuel burnup. Simulation with the Discrete Element Method (DEM) can provide knowledge of both the fuel packing and the fuel movement during cycling. Previous works that have performed 3D full-core DEM simulation of PBRs have used simplified models that neglect reflector wall features. This work employs a graphics processing unit (GPU)-enabled DEM code, Project Chrono, to analyze the differences in pebble packing and pebble velocities between a simplified smooth PBR reflector and a more realistic reflector that includes circular wall features. Additionally, a sensitivity study is performed on the depth of the wall features to ensure that crystallization is prevented. Project Chrono is also validated for PBR cycling applications using experimental data. It is found that wall features with a depth of at least 0.5 pebble diameters significantly reduce crystallization in the near-wall region, leading to discrepancies in both packing fraction and pebble velocity in this region compared to the simplified reflector models. These discrepancies are found to lead to roughly a 5–10% difference in the prediction of the near-wall porosity and a 10% difference in the prediction of the velocity of pebbles near the wall. As a result of these discrepancies, it is suggested that future DEM simulations of PBRs include wall features to reduce modeling errors.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Optimal white-noise stochastic forcing for linear models of turbulent channel flow

In the present study an optimisation problem is formulated to determine the forcing of an eddy-viscosity-based linearised Navier–Stokes model in channel flow at $Re_\tau \approx 5200$ ( $Re_\tau$ is the friction Reynolds number), where the forcing is white-in-time and spatially decorrelated. The objective functional is prescribed such that the forcing drives a response to best match a set of velocity spectra from direct numerical simulation (DNS), as well as remaining sufficiently smooth. Strong quantitative agreement is obtained between the velocity spectra from the linear model with optimal forcing and from DNS, but only qualitative agreement between the Reynolds shear stress co-spectra from the model and DNS. The forcing spectra exhibit a level of self-similarity, associated with the primary peak in the velocity spectra, but they also reveal a non-negligible amount of energy spent in phenomenologically mimicking the non-self-similar part of the velocity spectra associated with energy cascade. By exploiting linearity, the effect of the individual forcing components is assessed and the contributions from the Orr mechanism and the lift-up effect are also identified. Finally, the effect of the strength of the eddy viscosity on the optimisation performance is investigated. The inclusion of the eddy viscosity diffusion operator is shown to be essential in modelling of the near-wall features, while still allowing the forcing of the self-similar primary peak. In particular, reducing the strength of the eddy viscosity results in a considerable increase in the near-wall forcing of wall-parallel components.

Mechanics↗
DOE OSTI2025

Self-generated electrokinetic flows from active-charged boundary patterns

We develop a hydrodynamic description of self-generated electrolyte flow in capillaries whose bounding walls feature nonuniform distributions of charge nonuniform active ionic fluxes. The hydrodynamic velocity arising in such a system has components that are forbidden by symmetry in the absence of charge and fluxes. However, when these two boundary mechanisms are simultaneously present, they can lead to a symmetry broken state where steady flows with both unidirectional and circulatory components emerge. We show that these flow states arise when modulated boundary patterns of charge and fluxes are offset by a flux-charge phase difference, which is associated with the separation between sites of their peak densities on the wall. Mismatch in diffusivity of cationic and anionic species can modify the flow states and becomes an enhancing factor when fluxes of both ion species are being produced together at the same site. We demonstrate that this mechanism can be realized with a microfluidic generator that is powered by enzyme-coated patches that catalyze reactants in the solution to produce fluxes of ions. The local ionic elevation or depletion, which disrupts a nonuniform double layer, promotes self-induced gradients yielding persistent body forces to generate bulk fluid motion. Our work quantifies a boundary-driven mechanism behind self-sustained electrolyte flow in confined environments that exists without any external bulk-imposed fields or gradients. It provides a theoretical framework for understanding the combined effect of active and charged boundaries that are relevant in biological or soft matter systems, and can be utilized in electrofluidic and iontronic applications.

active matter↗
DOE OSTI2025

Packing fraction control during additive manufacturing of powder green bodies

The demand for high performance ceramic and metal components with complex geometry necessitates developments in powder handling and green body shaping. Here, in this study, vibrational powder deposition is adapted to three-dimensional printing with the ability to modulate packing fraction during printing. Boron carbide powder with sub-micron primary particle size is printed over a packing fraction range of 25.0 % to 46.5 % (below the poured density to above the tapped density). Solid metal powders are printed at 67.5 %, which enables novel freestanding, vertical-walled features without binder. These capabilities introduce opportunities for more complex geometries in high-performance materials, e.g. large-scale uniaxial hot-pressing of ceramic ballistic armor components with graded thickness and three-dimensional curved or stepped features (by compensating for displacement differences during compaction). This technology also enables multi-material patterning of additive manufacturing powder beds with reduced feedstock quantity requirements and wastage.

36 MATERIALS SCIENCE↗
DOE OSTI2023

The fast camera (Fastcam) imaging diagnostic systems on the DIII-D tokamak

Two camera systems are installed on the DIII-D tokamak at the toroidal positions of 90° (90° system) and 225° (225° system), respectively. The cameras have two types of relay optics, namely, a coherent optical fiber bundle and a periscope system. The periscope system provides absolute intensity calibration stability while sacrificing resolution (10 lp/mm), while the fiber system provides high resolution (16 lp/mm) while sacrificing calibration stability. The periscope is available only for the 90° system. The optics of the 225° system were designed for view stability, repeatability, and easy maintenance. The cameras are located inside optimized neutron, x ray and magnetic shielding in order to reduce electronics damage, reboots, and magnetic and neutron interference, increasing the overall system reliability. An automated filter wheel, providing remote filter change, allows for remote wavelength selection. A software suite automates camera acquisition and data storage, allowing for remote operation and reduced operator involvement. System metadata is used to streamline the data analysis workflow, particularly for intensity calibration. Here, the spatial calibration uses multiple observable wall features, resulting in a reconstruction accuracy ≤2 cm.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

On the Mechanical Behavior of LP-DED C103 Thin-Wall Structures

Laser Powder Directed Energy Deposition (LP-DED) can produce thin-wall features on the order of 1 mm. These features are essential for large structures operating in extreme environments such as regeneratively cooled nozzles and heat exchangers, which often make use of refractory metals. In this work, the mechanical behavior of LP-DED C103 was investigated via quasi-static tensile testing and low cycle fatigue (LCF) testing. The effects of vacuum stress relief (SR) and hot isostatic pressing (HIP) heat treatments were investigated for specimens in the vertical and horizontal build orientations during tensile testing. The AB and SR properties were lower than literature values for wrought and laser powder bed fusion (L-PBF) bulk components but higher than electron beam powder bed fusion (EB-PBF). The application of a HIP cycle improved strength by 7% and ductility by 27% past the initial as-built condition. Fracture images reveal that interlayer stress concentration sites are responsible for fracture in specimens in the vertical orientation. Meanwhile, fracture in the horizontal specimens mainly propagates at a slanted angle typical of plane stress conditions. The LCF results show cycles to failure ranging from 100 cycles to 8000 cycles for max strain levels of 2% and 0.5%, respectively. Fractography on the fatigue specimens reveals an increasing propagation zone as max strain levels are increased. The impact of these findings and future work are discussed in detail.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Domain wall motion across microstructural features in polycrystalline ferroelectric films

This paper describes the effect of microstructural features such as grain boundaries and triple points on the pinning of domain wall motion in perovskite Pb(Zr 0.52 Ti 0.48 )O 3 (PZT) films on polycrystalline SrRuO 3 /SrTiO 3 substrates. Here, spatial variability in the collective domain wall dynamics was assessed using non-linearity mapping via Band Excitation Piezoresponse Force Microscopy (BE-PFM). Collocating the non-linearity maps with triple point locations (as visualized by EBSD) allowed for exploration of the effects that local microstructure (e.g., grain boundary) have on domain wall motion. It was found that the extrinsic behavior varied with both the misorientation angle and the proximity to the grain boundary. The width of influence of individual grain boundaries on the motion of domain walls was a function of the character of the grain boundary; random grain boundaries exhibit deeper minima in α d /d 33,initial and larger widths of influence (up to 905 nm) compared to coincident site lattice (CSL) boundaries (up to 572 nm). Additionally, triple points containing larger numbers of random boundaries exhibited non-Rayleigh behavior to greater distances, suggesting that the triple point provides either a deep potential minimum or a region where domain wall motion is unfavorable.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Lignin - A green material for antibacterial application — A review

Lignin's antibacterial properties have become increasingly relevant due to the rise of microbial infectious diseases and antibiotic resistance. Lignin is capable of interacting electrostatically with bacteria and contains polyphenols that cause damage to their cell walls. These features make lignin a desirable material to exhibit antibacterial behavior. Therefore, lignin in antibacterial applications offers a novel approach to address the growing need for sustainable and effective antibacterial materials. Recent research has explored the incorporation of lignin in various biomedical applications, such as wound dressings, implants, and drug delivery systems, highlighting their potential as a sustainable alternative to synthetic antibacterial agents. Furthermore, the development of lignin-based nanomaterials with enhanced antimicrobial activity is an active area of research that holds great promise for the future. Here, in this review, we have provided a summary of how lignin can be incorporated into different forms, such as composite and non-composite synthesis of antibacterial agents and their performances. The challenges and future considerations are also discussed in this review article.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2023

Tooling assembly and method for explosively forming features in a thin-walled cylinder

The present invention provides a method of explosively forming a helical tube from at least one thin-walled cylinder using a tooling assembly. The method includes inserting the at least one thin-walled cylinder into a die of the tooling assembly. The die surrounds the at least one thin-walled cylinder and includes an interior surface that defines a helical thread pattern. The method further includes surrounding the at least one thin-walled cylinder and the die with a casing of the tooling assembly. A cavity is defined by the casing and the thin-walled cylinder. The method further includes positioning an explosive charge within the cavity. The method additionally includes at least partially submerging the tooling assembly. The method further includes detonating the explosive charge. As a result, the at least one thin-walled cylinder is formed into a helical tube that corresponds with helical thread pattern of the interior surface of the die.

Eberl, Kurt R.↗
DOE OSTI2026

Modulation induced by very-large-scale motions on the inclination angle of wall-attached eddies: an atmospheric surface layer experiment

The forward leaning inclination angle, 𝛾, of coherent turbulent structures is a well-known feature of wall-bounded turbulent flows. Although invariant across friction Reynolds numbers within the range 𝑅𝑒 𝜏 =10 3 −10 6 , 𝛾 can vary significantly across turbulent scales within a high-Reynolds-number flow. Very-large-scale motions (VLSMs) are known to induce significant changes in the instantaneous shear profile, which is a conditioning event that could trigger variability in the inclination angle of smaller coherent turbulent structures. Although this aspect has been extensively studied via numerical and laboratory experiments, few studies have explored this feature for a very-high-Reynolds-number atmospheric flow. In this work, the inclination angle of turbulent structures within the atmospheric surface layer at a very high Reynolds number (𝑅𝑒 𝜏 =7.9 ×10 5 ) is investigated by deploying a scanning Doppler light detection and ranging and a super large particle image velocimetry (SLPIV) apparatus. The inclination angle of wall-attached eddies is inferred either from the two-point correlation of streamwise velocity (𝛾 =41.1∘) or with a scale-dependent approach through the spectral linear stochastic estimator (SLSE). The SLSE (and, thus, the scale-dependent inclination angle) is conditionally evaluated based on the high- and low-momentum events induced by VLSMs, both in the streamwise (𝑢′𝑉𝐿𝑆𝑀) and in the vertical (𝑤′ 𝑉𝐿𝑆𝑀) velocity components. As a result, lower inclination angles (𝛾 =30° −50°) are found for 𝑢$^{'}_{VLSM}$ >0 (𝑤$^{'}_{VLSM}$ <0), while higher values (50° −85°) are ascribed to 𝑢$^{'}_{VLSM}$ <0 (𝑤$^{'}_{VLSM}$ >0). This result emphasises the primary role that VLSMs play in shaping the wall-attached eddy geometry, which, in turn, is crucial to determine the Reynolds stress balance within the wall-attached eddy range.

42 ENGINEERING↗
DOE OSTI2023

Additively featured plates for heat exchangers

Hybrid additive featured plates used to form an overall microchannel heat exchanger and corresponding method of manufacture are disclosed. Various additive manufacturing (AM) techniques may be used to form walls defining microchannel features on a plate substrate. The manufacturing method is a hybrid process in that leverages both additive and conventional manufacturing techniques to minimize both cost and fabrication time.

Carlson, Matthew David↗
DOE OSTI2025

Comparison of plasma start-up with high Z and low Z first wall in WEST

The choice of first wall material is of paramount importance for the plasma start-up conditions in ITER and future fusion power plants. In this context, the present work focuses on the correlations between first wall impurity sources and total radiated power during plasma start-up in the tungsten (W) Environment in Steady-state Tokamak (WEST). The objective is to highlight experimental indications for a preferable combination of start-up plasma scenario and first wall materials. Until 2019, WEST featured a full high Z first wall with all limiters exposing only W surfaces to the plasma. To study the impact of a low Z first wall in WEST, boron nitride tiles were installed in the central part of the inner and outer limiters in 2020. Although visible spectroscopy and bolometry measurements show respectively a strong weakening of the WI line intensity on the limiters and a reduction of radiated power after the changeover, a degradation occurs with the accumulation of plasma exposure. In addition, the different plasma facing elements of the main chamber do not influence equally the radiated power during start-up. In both high Z and low Z environments, a clear non-linear dependence is found between the start-up radiated power and the outer limiter W impurity source. Since W seems to be the main cause for core radiation, correlation between outer limiter W sources and other impurity sources are investigated. Finally, analysis of the legacy of B powder drops on a number of start-up plasmas suggests that it is less effective at reducing radiated power when the first wall is covered with W.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2024

Plant Cell Wall Polysaccharide O-Acetyltransferases

Plant cell walls are largely composed of polysaccharide polymers, including cellulose, hemicelluloses (xyloglucan, xylan, mannan, and mixed-linkage β-1,3/1,4-glucan), and pectins. Among these cell wall polysaccharides, xyloglucan, xylan, mannan, and pectins are often O-acetylated, and polysaccharide O-acetylation plays important roles in cell wall assembly and disease resistance. Genetic and biochemical analyses have implicated the involvement of three groups of proteins in plant cell wall polysaccharide O-acetylation: trichome birefringence-like (TBL)/domain of unknown function 231 (DUF231), reduced wall acetylation (RWA), and altered xyloglucan 9 (AXY9). Although the exact roles of RWAs and AXY9 are yet to be identified, members of the TBL/DUF231 family have been found to be O-acetyltransferases responsible for the O-acetylation of xyloglucan, xylan, mannan, and pectins. Here, we provide a comprehensive overview of the occurrence of O-acetylated cell wall polysaccharides, the biochemical properties, structural features, and evolution of cell wall polysaccharide O-acetyltransferases, and the potential biotechnological applications of manipulations of cell wall polysaccharide acetylation. Further in-depth studies of the biochemical mechanisms of cell wall polysaccharide O-acetylation will not only enrich our understanding of cell wall biology, but also have important implications in engineering plants with increased disease resistance and reduced recalcitrance for biofuel production.

Plant Sciences↗
DOE OSTI2023

Chemo-Enzymatic Synthesis of Long-Chain Oligosaccharides for Studying Xylan-Modifying Enzymes

Plant research is hampered in several aspects by a lack of pure oligosaccharide samples that closely represent structural features of cell wall glycans. An alternative to purely chemical synthesis to access these oligosaccharides is chemo-enzymatic synthesis using glycosynthases. These enzymes enable the ligation of oligosaccharide donors, when activated for example as α-glycosyl fluorides, with suitable acceptor oligosaccharides. Herein, the synthesis of xylan oligosaccharides up to dodecasaccharides is reported, with glycosynthase-mediated coupling reactions as key steps. The xylo-oligosaccharide donors were protected at the non-reducing end with a 4-O-tetrahydropyranyl (THP) group to prevent polymerization. Installation of an unnatural 3-O-methylether substituent at the reducing end xylose of the oligosaccharides ensured good water solubility. Biochemical assays demonstrated enzymatic activity for the xylan acetyltransferase XOAT1 from Arabidopsis thaliana, xylan arabinofuranosyl-transferase XAT3 enzymes from rice and switchgrass, and the xylan glucuronosyltransferase GUX3 from Arabidopsis thaliana. In case of the glucuronosyltransferase GUX3, MALDI-MS/MS analysis of the reaction product suggested that a single glucuronosyl substituent was installed primarily at the central xylose residues of the dodecasaccharide acceptor, demonstrating the value of long-chain acceptors for assaying biosynthetic glycosyltransferases.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2025

Demonstrating Advanced Sensors for In-Situ Monitoring Towards Qualification of Nuclear Relevant Components

The U.S. Department of Energy’s Office of Nuclear Energy Advanced Materials and Manufacturing Technologies (AMMT) program is pursuing qualification of laser powder bed fusion (LPBF) components for nuclear applications. A major focus of this effort is the use of in situ process monitoring and machine learning–based tools to establish real-time quality assurance. The primary objective of this report is to identify and evaluate the most relevant in situ sensor systems for LPBF, and to document the deployment of these systems across platforms critical to the AMMT program. This work demonstrates how in situ monitoring can detect process anomalies, track geometry-dependent flaws, and identify limiting combinations of processing parameters—particularly those related to energy density and complex geometries (e.g., overhanging structures). To support this goal, a diverse suite of sensor modalities was evaluated across LPBF platforms, including visible and near-infrared (NIR) imaging, fringe projection profilometry, long-wavelength infrared (LWIR) thermography, and high-speed photodiode/pyrometry systems. These sensor streams were integrated with Peregrine, a machine-agnostic software platform that, among other capabilities, can generate real-time process anomaly classification. This report documents sensor deployments on multiple AMMT flagship platforms, including the Concept Laser M2 and Renishaw AM400/AM250 systems. Calibration builds with complex, flaw-prone geometries such as unsupported overhangs, stepped features, and thin walls, were used to evaluate how well Peregrine and its associated sensors could detect process anomalies and other instabilities under varied energy densities. It will be shown how Peregrine reliably identifies common process anomalies such as recoater streaking, superelevation, etc., and can be used in post-build analysis for anomaly spatial distributions throughout the build height to better understand the impact of geometry and processing parameter choice on the build. This work demonstrates measurable progress toward the vision that components can be born-qualified by establishing a real-time monitoring framework, identifying limiting process conditions, and laying the foundation for sensor fusion–enabled prediction pipelines that are scalable across platforms and applicable to nuclear-relevant components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2026

Validation of OpenPronghorn for Periodic Hill Flow Separation

OpenPronghorn is an open-source, MOOSE-based thermal-hydraulics simulation tool used for advanced reactor analysis. As an open-source code, it offers a transparent framework for validating governing equations, assumptions, and numerical methods against established benchmarks. This study evaluates OpenPronghorn's RANS turbulence model against the ERCOFTAC Case 81 periodic hill benchmark, a standard test case for separated turbulent flow featuring curved-wall separation, recirculation, shear-layer development, and reattachment. Streamwise velocity profiles predicted by OpenPronghorn were compared to reference LES data at multiple x/h locations. Results show that OpenPronghorn captures the overall trend of the velocity profiles, but the largest discrepancies occur in the separated-flow region, where turbulence is highly anisotropic and strongly affected by adverse pressure gradients and wall curvature—conditions that are inherently difficult for standard RANS models to resolve. Future work will test alternative k-e model variants and correction terms to improve prediction accuracy in this region.

42 - ENGINEERING↗
DOE OSTI2023

Sum frequency generation (SFG) microscopy analysis of cellulose microfibrils in Physcomitrium patens gametophore leaf

Physcomitrium patens is a good model system to study the structure and function relationships of cellulose synthase (CESA) proteins since the life cycle of moss is short and genetic modification is relatively easy. Here, we report a microscopic sum frequency generation (SFG) vibrational spectroscopy analysis of P. patens leaves in a never-dried and fully hydrated state. Using imaging-SFG spectroscopy, cellulose microfibril (CMF) organization in the midrib, laminar, and marginal regions of the gametophore leaf were analyzed separately. The azimuth angle dependence of SFG signals showed that CMFs in the thick stereid cell walls in the midrib are highly aligned along the microfibril angle of ~ 30° with respect to the midrib axis. CMFs in the marginal cell walls also are preferentially tilted toward the longitudinal axis of leaf with the characteristic features of secondary cell walls. On the other hand, CMFs in the lamina cell walls have no preferential orientation and their SFG intensity is low, which is consistent with the primary cell wall property. Finally, the thick walls and highly aligned CMFs in the midrib and marginal cells of P. patens leaves are consistent with their support function.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

An Investigation of LES Wall Modeling for Rayleigh–Bénard Convection via Interpretable and Physics-Aware Feedforward Neural Networks with DNS

Abstract The traditional approach of using the Monin–Obukhov similarity theory (MOST) to model near-surface processes in large-eddy simulations (LESs) can lead to significant errors in natural convection. In this study, we propose an alternative approach based on feedforward neural networks (FNNs) trained on output from direct numerical simulation (DNS). To evaluate the performance, we conduct both a priori and a posteriori tests. In the a priori (offline) tests, we compare the statistics of the surface shear stress and heat flux, computed from filtered DNS input variables, to the stress and flux obtained from the filtered DNS. Additionally, we investigate the importance of various input features using the Shapley additive explanations value and the conditional average of the filter grid cells. In the a posteriori (online) tests, we implement the trained models in the System for Atmospheric Modeling (SAM) LES and compare the LES-generated surface shear stress and heat flux with those in the DNS. Our findings reveal that vertical velocity, a traditionally overlooked flow quantity, is one of the most important input features for determining the wall fluxes. Increasing the number of input features improves the a priori test results but does not always improve the model performance in the a posteriori tests because of the differences in input variables between the LES and DNS. Last, we show that physics-aware FNN models trained with logarithmic and scaled parameters can well extrapolate to more intense convection scenarios than in the training dataset, whereas those trained with primitive flow quantities cannot. Significance Statement The traditional near-surface turbulence model, based on a shear-dominated boundary layer flow, does not represent near-surface turbulence in natural convection. Using a feedforward neural network (FNN), we can construct a more accurate model that better represents the near-surface turbulence in various flows and reveals previously overlooked controlling factors and process interactions. Our study shows that the FNN-generated models outperform the traditional model and highlight the importance of the near-surface vertical velocity. Furthermore, the physics-aware FNN models exhibit the potential to extrapolate to convective flows of various intensities beyond the range of the training dataset, suggesting their broader applicability for more accurate modeling of near-surface turbulence.

54 ENVIRONMENTAL SCIENCES↗