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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 433 records · Page 24

Altering apparent optical properties with an array of semitransparent mesoscale structures

The ability to control and optimize interactions between light and matter has much utility in engineering design. A well-researched way to achieve optical property modulation is via the use of optical metamaterials, which feature sub-wavelength scale surface structures. In this work, an alternative approach for modulating optical properties is presented using a composite surface modified with a periodic array of semitransparent hemispherical shell mesoscale structures which are larger than the incident light wavelength. A ray-tracing simulation approach is used to predict the optical behavior for an arrayed surface. At oblique angles of incidence, significant increases and decreases in apparent absorptance are achieved via the use of optically thick and thin shells, respectively. Additionally, a potential application to solar cells is described with optimal spectral behavior achieved via the use of semitransparent external structures.

Kucuktas, Onur A.↗

Water resource recovery modelling 2021 (WRRmod2021 conference)

Our society is transitioning fast into the digital age, spurred by development of cheap and new sensing technology, breakthroughs in computing, and development of efficient algorithms for optimization. This transition is also visible in the field of wastewater treatment and is driving new model developments, especially by exploiting the large data sets available with many utilities. Not surprisingly, WRRmod2021 had featured a strong session on ‘data-driven models and digitalization’ focused on this hot topic. At the same time, engineering practice calls for more robust models for performance evaluation and optimization of both conventional facilities and innovative processes. As a result, the WRRmod2021 program also exhibited sessions on modelling of new process units (e.g., aerobic granular sludge), modelling of the nitrogen cycle, and integrated/plant-wide modelling.

54 ENVIRONMENTAL SCIENCES↗

Options for Future Fuel/Basket Modifications for DPC Disposition

Deliverable Description: Identify and evaluate options for fuel and basket modifications, for dual-purpose canisters (DPCs) to be loaded in the future, that would substantially reduce the probability of post closure criticality after waste package breach and flooding with ground water. Planned work in FY20 will examine the feasibility of criticality control features, particularly neutron absorbing inserts or replacement channels for boiling water reactor (BWR) fuel assemblies. The expected outcome is additional engineering information that can be used to guide the R&D program, and to support future stakeholder interactions. This document will be incorporated into planned deliverable DPC Disposal Concepts of Operation (M3 SF-20SNO10305052, 18S ep20).

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Genome-scale model development and genomic sequencing of the oleaginous clade Lipomyces

The Lipomyces clade contains oleaginous yeast species with advantageous metabolic features for biochemical and biofuel production. Limited knowledge about the metabolic networks of the species and limited tools for genetic engineering have led to a relatively small amount of research on the microbes. Here, a genome-scale metabolic model (GSM) of Lipomyces starkeyi NRRL Y-11557 was built using orthologous protein mappings to model yeast species. Phenotypic growth assays were used to validate the GSM (66% accuracy) and indicated that NRRL Y-11557 utilized diverse carbohydrates but had more limited catabolism of organic acids. The final GSM contained 2,193 reactions, 1,909 metabolites, and 996 genes and was thus named iLst996. The model contained 96 of the annotated carbohydrate-active enzymes. iLst996 predicted a flux distribution in line with oleaginous yeast measurements and was utilized to predict theoretical lipid yields. Twenty-five other yeasts in the Lipomyces clade were then genome sequenced and annotated. Sixteen of the Lipomyces species had orthologs for more than 97% of the iLst996 genes, demonstrating the usefulness of iLst996 as a broad GSM for Lipomyces metabolism. Pathways that diverged from iLst996 mainly revolved around alternate carbon metabolism, with ortholog groups excluding NRRL Y-11557 annotated to be involved in transport, glycerolipid, and starch metabolism, among others. Overall, this study provides a useful modeling tool and data for analyzing and understanding Lipomyces species metabolism and will assist further engineering efforts in Lipomyces .

59 BASIC BIOLOGICAL SCIENCES↗

Baseline Airfoil Cooling Designs For 5-10MW Gas Turbines

This paper describes conventional cooling technologies that have been identified after a thorough review of public literature as a baseline for more detailed analysis and future testing. This effort is unique because the cooling features (i.e., leading edge, mid-chord, and trailing edge) are integrated together within an airfoil of realistic scale. The engineering models that have been developed to characterize the cooling performance for these baseline configurations will be described. It is believed that the cooling designs described in this paper are representative of gas turbines in the 5-10 MWe size range, but not identical to any commercial product. The present effort to establish a state-of-the-art cooling scheme is a first, and necessary, step in an on-going project to identify and test more advanced cooling concepts for CHP systems that are enabled by additive manufacturing.

Straub, Douglas↗

Baseline Airfoil Cooling Designs For 5-10MW Gas Turbines - Conference Paper

This paper describes conventional cooling technologies that have been identified after a thorough review of public literature as a baseline for more detailed analysis and future testing. This effort is unique because the cooling features (i.e., leading edge, mid-chord, and trailing edge) are integrated together within an airfoil of realistic scale. The engineering models that have been developed to characterize the cooling performance for these baseline configurations will be described. It is believed that the cooling designs described in this paper are representative of gas turbines in the 5-10 MWe size range, but not identical to any commercial product. The present effort to establish a state-of-the-art cooling scheme is a first, and necessary, step in an on-going project to identify and test more advanced cooling concepts for CHP systems that are enabled by additive manufacturing.

Straub, Douglas↗

Controlling $T_c$ through Band Structure and Correlation Engineering in Collapsed and Uncollapsed Phases of Iron Arsenides

Recent observations of selective emergence (suppression) of superconductivity in the uncollapsed (collapsed) tetragonal phase of LaFe 2 As 2 has rekindled interest in understanding what features of the band structure control the superconducting $T_c$. In this work, we show that the proximity of the narrow Fe-$d_{xy}$ state to the Fermi energy emerges as the primary factor. In the uncollapsed phase this state is at the Fermi energy, and is most strongly correlated and a source of enhanced scattering in both single and two particle channels. The resulting intense and broad low energy spin fluctuations suppress magnetic ordering and simultaneously provide glue for Cooper pair formation. In the collapsed tetragonal phase, the $d_{xy}$ state is driven far below the Fermi energy, which suppresses the low-energy scattering and blocks superconductivity. A similar source of broad spin excitation appears in uncollapsed and collapsed phases of CaFe 2 As 2 . This suggests controlling coherence provides a way to engineer $T_c$ in unconventional superconductors primarily mediated through spin fluctuations.

36 MATERIALS SCIENCE↗

Development of Repair Techniques for Cast Iron Engine Blocks by Additive Manufacturing

ORNL partnered with Cummins Inc to demonstrate the feasibility of using additive manufacturing techniques to deposit large volume of new material on cast iron in the context of remanufacturing. Remanufacturing at Cummins Inc is carried out to repair any field damage and, in some cases, provide additional value by adding new features. Large volume deposition on difficult to weld materials is a challenging problem due to involved metallurgy. Phase-1 of this work evaluated the feasibility of using laser directed energy deposition technique to deposit new material layer by layer on cast iron engine blocks. During phase-1 deposits were made using Inconel-718, Nickel, Nr-Cr-B braze filler. Leveraging the knowledge gained during Phase-1, Phase-2 focused on developing a low- cost crack resistant ferrous alloy to repair cast iron via volume deposition techniques without preheating. Three different alloy chemistries were identified, and trials were performed on cast iron substrates to identify the optimal chemistry that provided adequate resistance to cracking in both, the deposits as well as the cast iron substrate.

42 ENGINEERING↗

Origins of epitaxial macro-terraces and macro-steps on GaN substrates

Localized lattice distortions in GaN substrates can serve as nucleation sites for epitaxial macro-steps and macro-terraces. These detrimental macro-scale features give rise to optically hazy homoepitaxial GaN surfaces. After nucleating, these macro-features grow laterally along the surface and coalesce, leading to significant coverage of the wafer surface. Dot-core GaN substrates consisting of a periodic array of cores were used as a defect-engineered system, where dislocations are intentionally concentrated at the cores. The high density of threading dislocations at the cores induced localized lattice distortions. Here, these distortions are associated predominantly with lattice tilt on the order of hundreds of arcsec across ~0.5 mm laterally along the wafer surface. The resulting macro-features that nucleated at these localized distorted sites were made up of macro-terraces with lengths ranging ~30–~150 μm and macro-step heights ranging ~200–~400 nm. Another source of localized distortion was threading screw dislocations or GaN nanopipes that resulted in spiral growth and hillock formation. Based on x-ray topography and optical microscopy measurements, we speculate that the coalescence of hillocks evolves into macro-terraces and macro-steps. While previous studies focused on the substrate miscut as a means to control macro-feature formation, we show that localized lattice tilt from defects is another important contributor to macro-feature formation.

36 MATERIALS SCIENCE↗

Evaluating causal‐based feature selection for fuel property prediction models

Abstract In‐silico screening of novel biofuel molecules based on chemical and fuel properties is a critical first step in the biofuel evaluation process due to the significant volumes of samples required for experimental testing, the destructive nature of engine tests, and the costs associated with bench‐scale synthesis of novel fuels. Predictive models are limited by training sets of few existing measurements, often containing similar classes of molecules that represent just a subset of the potential molecular fuel space. Software tools can be used to generate every possible molecular descriptor for use as input features, but most of these features are largely irrelevant and training models on datasets with higher dimensionality than size tends to yield poor predictive performance. Feature selection has been shown to improve machine learning models, but correlation‐based feature selection fails to provide scientific insight into the underlying mechanisms that determine structure–property relationships. The implementation of causal discovery in feature selection could potentially inform the biofuel design process while also improving model prediction accuracy and robustness to new data. In this study, we investigate the benefits causal‐based feature selection might have on both model performance and identification of key molecular substructures. We found that causal‐based feature selection performed on par with alternative filtration methods, and that a structural causal model provides valuable scientific insights into the relationships between molecular substructures and fuel properties.

Nguyen, Bernard↗

Mixed Reality Training and Workspace Integration

Mixed reality technology is being used across Idaho National Laboratory (INL) to enhance training and workforce development. Projects involving mixed reality such as lockout/tagout , the Industrial Control System Laboratory , and a Department of Defense microreactor demonstration have benefited from these innovative approaches. Several key concerns exist with integrating this new technology, including ease of use, ease of setup, and maintenance through the lifecycle. These aspects need to be properly addressed to ensure that this technology remains attractive and useful to operations teams as well as engineers and researchers at INL. Primarily, this requires buy-in from information technology management, designing software/hardware-agnostic tools, and reducing friction with technology integration. To be successful, regular operational use of this new and unfamiliar technology will require straightforward user interfaces, simple setup processes, and feature-rich experiences that reduce the time needed to benefit from the technology. INL is improving its toolset to allow for a streamlined deployment and use of mixed reality technologies that are directly available to researchers and engineers.

99 GENERAL AND MISCELLANEOUS↗

Crack mitigation in additively manufactured AlCrFe 2 Ni 2 high-entropy alloys through engineering phase transformation pathway

The far-from-equilibrium solidification during additive manufacturing often creates large residual stresses that induce solid-state cracking. Here we present a strategy to suppress solid-state cracking in an additively manufactured AlCrFe 2 Ni 2 high-entropy alloy via engineering phase transformation pathway. We investigate the solidification microstructures formed during laser powder-bed fusion and directed energy deposition, encompassing a broad range of cooling rates. At high cooling rates (10 4 –10 6 K/s), we observe a single-phase BCC/B2 microstructure that is susceptible to solid-state cracking. At low cooling rates (10 2 –10 4 K/s), FCC phase precipitates out from the BCC/B2 matrix, resulting in enhanced ductility (~10 %) and resistance to solid-state cracking. Site-specific residual stress/strain analysis reveals that the ductile FCC phase can largely accommodate residual stresses, a feature which helps relieve residual strains within the BCC/B2 phase to prevent cracking. Our work underscores the value of exploiting the toolbox of phase transformation pathway engineering for material design during additive manufacturing.

36 MATERIALS SCIENCE↗

Numerical and Experimental Study of an Aircraft Igniter Plasma Jet Discharge

The spark discharge of an aircraft plasma jet igniter is studied using high-fidelity numerical simulations and X-ray radiography measurements. The target problem here features the thermal expansion of hot gas introduced by the electric spark within a confined igniter cavity, which eventually evolves into a pulsed jet of a high-temperature kernel. A comprehensive set of models adapted from existing strategies for internal combustion engine spark plug discharge is extended to the target problem, including the modeling of energy deposition, plasma reactions, thermodynamic properties, and heat losses. A series of validation and parameter studies are performed and presented. The kernel size is found to be sensitive to heat losses arising from radiation and hot gas remained within the discharge cavity, rather than heat conduction to the wall in the discharge cavity. Depending on the enforced shape of the post-breakdown electric arc, the spark kernel can be off-centered, tilted, and considerably asymmetric. These features have been previously not considered when studying such igniter configurations and may have a first-order impact on the ignition process. Provided a proper setup of the heat loss models and electric arc shape, the numerical results are quantitatively comparable to the experimental results in terms of the kernel size, shape, and velocity throughout different stages after the spark discharge.

Tang, Yihao↗

Numerical study on spray collapse process of ECN spray G injector under flash boiling conditions

This work features a numerical study of the spray collapse process that occurs under flash-boiling, gasoline-direct-injection conditions. The Engine Combustion Network's Spray G injector was modeled, and iso-octane, n-hexane, and propane were used as fuels with the goal to investigate fuel property effects. The development of individual jets and jet-to-jet interaction were analyzed to reveal the physical mechanisms of spray collapse. The results agreed qualitatively well with the experimental data of propane available from the literature and the predictions revealed the model's ability to capture the near-nozzle shock structures witnessed in the experiments. Simulations showed that the flow development of flashing sprays was strongly tied with the fuel properties. Specifically, under-expanded jets were not observed with iso-octane due to the fuel's low vapor pressure. In the case of n-hexane, the jets were under-expanded, and a low-pressure core was observed inside the jets due to the flow expansion. With propane, the very strong expansion caused the flow to become transonic and generate a unique shock structure near the nozzle exit. The shock structure revealed the formation of primary shock cells within the jets and secondary shock cells induced by jet-to-jet interaction. Based on the results, the spray collapse under flash boiling conditions was mainly attributed to two effects, i.e., the decrease in pressure at the spray center induced by the low-pressure cores inside and between the jets, and the isolation effect due to the jet-to-jet interaction which contributed to maintain the pressure differential between the spray center and the ambient.

42 ENGINEERING↗

Structured light scanning artifact-based performance study

Structured light scanning is used to create a digital twin of a manufactured part, where features are extracted to determine if the part meets the designer’s intent and required tolerances. This paper describes repeatability and reproducibility analyses for a commercially-available structured light scanning system and measurement artifact. The repeatability study used five repeated scans at 15 measurement positions. Repeatability was assessed by randomly selecting one of the five scans at each of the 15 positions and creating a part mesh. This process was performed 50 times and the statistics for the dimension variations were calculated to isolate the scanning effects only. The same sequence was then performed for 10 of the 15 positions and five of the 15 positions to evaluate the repeatability sensitivity to the number of measurement positions. Reproducibility was assessed by selecting 15 positions to create a mesh and repeating the 15-position measurement sequence 10 times using different positions for each mesh construction. The statistics for the dimension variations were then calculated. This incorporated the effects of both scanning and the position and orientation of the part relative to the scanner. This sequence was repeated for 10-position and five-position scans to evaluate the corresponding sensitivity. Finally, the artifact dimensions from structured light scanning were compared to coordinate measuring machine measurements of the same features.

42 ENGINEERING↗

Probabilistic evolution of stochastic dynamical systems: A meso-scale perspective

Stochastic dynamical systems arise naturally across nearly all areas of science and engineering. Typically, a dynamical system model is based on some prior knowledge about the underlying dynamics of interest in which probabilistic features are used to quantify and propagate uncertainties associated with the initial conditions, external excitations, etc. From a probabilistic modeling standing point, two broad classes of methods exist, i.e. macro-scale methods and micro-scale methods. Classically, macro-scale methods such as statistical moments-based strategies are usually too coarse to capture the multi-mode shape or tails of a non-Gaussian distribution. Micro-scale methods such as random samples-based approaches, on the other hand, become computationally very challenging in dealing with high-dimensional stochastic systems. In view of these potential limitations, a meso-scale scheme is proposed here that utilizes a meso-scale statistical structure to describe the dynamical evolution from a probabilistic perspective. The significance of this statistical structure is twofold. First, it can be tailored to any arbitrary random space. Second, it not only maintains the probability evolution around sample trajectories but also requires fewer meso-scale components than the micro-scale samples. To demonstrate the efficacy of the proposed meso-scale scheme, a set of examples of increasing complexity are provided. Connections to the benchmark stochastic models as conservative and Markov models along with practical implementation guidelines are presented.

97 MATHEMATICS AND COMPUTING↗