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DOE OSTI2019

Multivariate Pointwise Information-Driven Data Sampling and Visualization

With increasing computing capabilities of modern supercomputers, the size of the data generated from the scientific simulations is growing rapidly. As a result, application scientists need effective data summarization techniques that can reduce large-scale multivariate spatiotemporal data sets while preserving the important data properties so that the reduced data can answer domain-specific queries involving multiple variables with sufficient accuracy. While analyzing complex scientific events, domain experts often analyze and visualize two or more variables together to obtain a better understanding of the characteristics of the data features. Therefore, data summarization techniques are required to analyze multi-variable relationships in detail and then perform data reduction such that the important features involving multiple variables are preserved in the reduced data. To achieve this, in this work, we propose a data sub-sampling algorithm for performing statistical data summarization that leverages pointwise information theoretic measures to quantify the statistical association of data points considering multiple variables and generates a sub-sampled data that preserves the statistical association among multi-variables. Using such reduced sampled data, we show that multivariate feature query and analysis can be done effectively. The efficacy of the proposed multivariate association driven sampling algorithm is presented by applying it on several scientific data sets.

97 MATHEMATICS AND COMPUTING↗

NASA NTRS2001

Application of Remote Sensing to Assess the Impact of Short Term Climate Variability on Coastal Sedimentation

The University of Wisconsin and Louisiana State University have teamed to study the forcing of winter season cold frontal wind systems on sediment distribution patterns and geomorphology in the Louisiana coastal zone. Wind systems associated with cold fronts have been shown to modify coastal circulation and resuspend sediments along the microtidal Louisiana coast. The assessment includes quantifying the influence of cumulative winter season atmospheric forcing (through surface wind observations) from year to year in response to short term climate variability, such as El Nino events. A correlation between winter cyclone frequency and the strength of El Nino events has been suggested. The atmospheric forcing data are being correlated to geomorphic measurements along western Louisiana's prograding muddy coast. Remote sensing data is being used to map and track sediment distribution patterns for various wind conditions. Transferring a suspended sediment concentration (SSC) algorithm to EOS MODIS observations will enable estimates of SSC in case 2 waters over the global domain. Progress in Year 1 of this study has included data collection and analysis of wind observations for atmospheric forcing characterization, a field activity (TX-2001) to collect in situ water samples with co-incident remote sensing measurements from the NASA ER-2 based MODIS Airborne Simulator (MAS) and the EOS Terra based MODerate resolution Imaging Spectroradiometer (MODIS) instruments, aerial photography and of sediment burial pipe field measurements along the prograding muddy Chenier Plain coast of western Louisiana for documenting coastal change in that dynamic region, and routine collection of MODIS 250 in resolution data for monitoring coastal sediment patterns. The data sets are being used in a process to transfer an SSC estimation algorithm to the MODIS platform. Work is underway on assessing coastal transport for the winter 2000-01 season. Water level data for use in a Geomorphic Impact Index, which relates wind energy, water level conditions, and geomorphic change along the microtidal western Louisiana coastline is being assembled.

Moeller, Christopher C.↗

DOE OSTI2026

Microchannel-based Membrane-less Extraction of Li from Unconventional Lithium Sources & the Separation of REE

This final report provides an overview of the Project's entire duration, covering July 1, 2021 to December 31, 2023. It primarily focuses on the achievements, technological developments, and unique challenges the team faced while working on separating and extracting Lithium from produced waters. The project's primary aim was to create an integrated, high-throughput, membrane-less, and modular microfluidic platform that could extract Lithium from unconventional sources. We have successfully met all goals and milestones envisioned in the SOPO document. The most critical primary milestones, including the Go-No-Go milestone (refer to the Gantt chart in the Appendices), were successfully accomplished. We demonstrated phase separation (>90%) and extraction (>85%) performance in the MPSE using synthetic, and representative produced water composition feed at 50 ml/min total flow through MPSE 36. We have also performed a parametric study of the MPSE operations, beyond the scope of SOPO, exploring operating conditions of current and broader interest. The extended investigation of operational parameters is concurrent with our efforts to seek further development of the MPSE technology beyond the scope of the Project. Along these lines of development, we have made efforts to be responsive to DOE calls for technological developments of other types of resources (beyond PW) for the recovery of Critical Materials and higher TRL development (beyond TRL 4). During the work on this Project, we developed and implemented three innovative technical approaches that emerged from our efforts to successfully meet the Project milestones. The innovative & original technical approaches developed and implemented in this Project are now the contributions to process engineering that could be clearly credited to the Project. First, Convergent Design Approach is a comprehensive feedforward & feedback loop of four design phases: i) design for functionality, ii) design for manufacturing, iii) design for sustainability, and iv) design for market. Next was Process Intensification. A major aim of this Project was to create an innovative phase separation & extraction microscale-based technology for Li separation – thus the words microchannel-based in the Project title. A microscale-based technology is intrinsically in the center of the Process Intensification domain as defined by its unique principles. Therefore, Process Intensification was implicitly envisioned in the Project’s SOPO. Lastly, Time Scale Analysis is a novel tool for discovering the needs and directions of Process Intensification implementations in any process technology. This Project is fully credited for developing and implementing the three novel technical approaches mentioned above. These are general contributions to process engineering that emerged from this Project. Beyond the original SOPO scope, the OSU-U.Pitt research group utilized a Convergent Design methodology, integrating first-principles mathematical modeling with experimental validation on the Minimum Development Vehicle. By creating these Digital Twins, the team rapidly assessed manufacturing iterations to support TEA analysis. This framework further enabled the development of advanced Surface Modification Techniques, where hydrophobic and oleophobic coating strategies were optimized via Digital Twin tools and validated through rigorous 100-hour longevity testing. TEA Analysis: The closing efforts of this Project were focused on the TEA analysis. TEA analysis had two primary functions: i) enabling critical assessments of design variations withing 10 the Concurrent Design Approach, thus enabling evolution of the MPSE design to reach faster- better-cheaper alternatives; and ii) to create a bridge between the accomplishments of this Project and future projects of higher TRL, beyond TRL 6 level. It is important to note that the TEA model created in the Project stirred the technological solutions for the recovery of critical materials toward a vision of a very profitable modular plant that has unique zero-waste water discharge signature. More importantly, thanks to our experimental performance data and conservative assumptions, the TEA model predicts minimal technological and investment risks. Low cost of a modular unit of a nominal capacity of [1000 tons of Li 2 CO 3 /year] positions the MPSE based technology within the reach of community investors, thus offering a paradigm shift in the development of critical technologies. The project successfully navigated two primary challenges: solvent selection and manufacturing adaptation. Restricted by the SOPO to existing literature for lithium recovery, the team identified a critical need for a "material excellence program" to develop next-generation solvents, eventually concluding with a preliminary investigation into promising Ionic Liquids (ILs). Simultaneously, COVID-19 supply chain disruptions forced a pivot from traditional manufacturing to advanced additive methods at ATAMI-OSU. By transitioning from stainless steel to 3D-printed polymer substrates, the team achieved a transformative three-order-of- magnitude reduction in manufacturing costs and compressed prototyping timelines from several months to just two days. The MPSE technology offers significant energy, environmental, and economic advantages by overcoming the traditional bottlenecks of phase-separation hardware and contactor size. Unlike conventional mixer-settlers or membrane-based systems, MPSE operates without moving parts or fouling-prone membranes, achieving robust performance even with challenging, viscous, or particulate-heavy feeds. Key performance metrics include an energy intensity reduction of 5–50x (3–40 kJ/m 3 ) compared to incumbent technologies and a dramatic reduction of processing time to under 60 seconds, which drastically reduces the physical plant footprint. These technical efficiencies translate into superior economic outcomes; for a 100 t/year Li 2 CO 3 facility, implementing MPSE is projected to nearly halve contactor CAPEX (from $\$$6.08M to $\$$3.01M) and significantly increase the project's Net Present Value (NPV), derisking new investment and enabling distributed critical-mineral processing configurations. The commercialization of MPSE technology is being spearheaded by Vigsur Dynamics Inc., which has adopted a structured, parallel approach to technical and business development since its formation in January 2026. Following extensive customer discovery and engagement with the Oregon State University accelerator, Vigsur Dynamics is working to establish a business model that transitions from pilot demonstrations to modular hardware sales, ultimately aiming for a "build-own-operate" service strategy. Current technical milestones—including 100 hours of continuous operation, superior energy efficiency, and successful 6-unit modular scale-up— provide a foundation for this transition. Backed by ongoing IP licensing and a growing network of industrial and venture advisors, the company is actively de-risking the platform to replace conventional mixer-settler systems in the critical minerals market.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2025

In situ multi-tier auto-ignition detection applied to dual-fuel combustion simulations

Here we use an anomaly detection methodology that is centered on analyzing fourth-order joint moments (co-kurtosis), particularly focusing on its application in auto-ignition of combustion problems with large numbers of species. Unsupervised anomaly detection is challenging to generalize across problem types and domains. A recent technique, centered on analyzing information in the fourth-order joint moment co-kurtosis, has shown promise, especially for high-dimensional scientific data. In this work we present developments to the co-kurtosis based anomaly detection method needed to make it effective and scalable for large-scale distributed scientific data, such as those generated by massively parallel simulations. An in situ co-kurtosis algorithm is employed as the anomaly detection method for identifying ignition kernels in simulations of turbulent combustion. Here, we extend an existing methodology which identifies regions of the domain where anomalies are present, and add another tier of anomaly detection where the individual samples contributing to the anomaly are identified. We apply this algorithm on-the-fly to a variety of turbulent reacting flow problems and compare it to the widely used (but significantly more expensive) chemical explosive mode analysis (CEMA). We demonstrate the ability of the method to detect and identify the onset of low and high temperature ignition which can be used for computational steering, as chemical and combustion anomalies occur intermittently at spatio-temporal locations unknown a priori. Finally, we apply our lightweight in situ algorithm to an exascale high-fidelity simulation with a total of 2.4 Trillion degrees of freedom, performed using an adaptive mesh refinement solver. Furthermore, through a scalability analysis, we show that the relative computational cost of this in-situ anomaly detection algorithm compared to an iteration of the reacting flow solver is negligible.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2016

Magnetic dipole interactions in crystals

The influence of magnetic dipole interactions (MDIs) on the magnetic properties of local-moment Heisenberg spin systems is investigated. A general formulation is presented for calculating the eigenvalues λ and eigenvectors μ ˆ of the MDI tensor of the magnetic dipoles in a line (one dimension, 1D), within a circle (2D) or a sphere (3D) of radius r surrounding a given moment μ → i for given magnetic propagation vectors k for collinear and coplanar noncollinear magnetic structures on both Bravais and non-Bravais spin lattices. Results are calculated for collinear ordering on 1D chains, 2D square and simple-hexagonal (triangular) Bravais lattices, 2D honeycomb and kagomé non-Bravais lattices, and 3D cubic Bravais lattices. The λ and μ ˆ values are compared with previously reported results. Calculations for collinear ordering on 3D simple tetragonal, body-centered tetragonal, and stacked triangular and honeycomb lattices are presented for c/a ratios from 0.5 to 3 in both graphical and tabular form to facilitate comparison of experimentally determined easy axes of ordering on these Bravais lattices with the predictions for MDIs. Comparisons with the easy axes measured for several illustrative collinear antiferromagnets (AFMs) are given. The calculations are extended to the cycloidal noncollinear 120 ° AFM ordering on the triangular lattice where λ is found to be the same as for collinear AFM ordering with the same k. The angular orientation of the ordered moments in the noncollinear coplanar AFM structure of GdB 4 with a distorted stacked 3D Shastry-Sutherland spin-lattice geometry is calculated and found to be in disagreement with experimental observations, indicating the presence of another source of anisotropy. Similar calculations for the undistorted 2D and stacked 3D Shastry-Sutherland lattices are reported. The thermodynamics of dipolar magnets are calculated using the Weiss molecular field theory for quantum spins, including the magnetic transition temperature T m and the ordered moment, magnetic heat capacity, and anisotropic magnetic susceptibility χ versus temperature T . The anisotropic Weiss temperature θ p in the Curie-Weiss law for T>T m is calculated. A quantitative study of the competition between FM and AFM ordering on cubic Bravais lattices versus the demagnetization factor in the absence of FM domain effects is presented. The contributions of Heisenberg exchange interactions and of the MDIs to T m and to θ p are found to be additive, which simplifies analysis of experimental data. Some properties in the magnetically-ordered state versus T are presented, including the ordered moment and magnetic heat capacity and, for AFMs, the dipolar anisotropy of the free energy and the perpendicular critical field. The anisotropic χ for dipolar AFMs is calculated both above and below the Néel temperature T N and the results are illustrated for a simple tetragonal lattice with c/a>1, c/a=1 (cubic), and c/a<1 , where a change in sign of the χ anisotropy is found at c/a=1 . Finally, following the early work of Keffer [Phys. Rev. 87, 608 (1952)], the dipolar anisotropy of χ above T N =69 K of the prototype collinear Heisenberg-exchange-coupled tetragonal compound MnF 2 is calculated and found to be in excellent agreement with experimental single-crystal literature data above 130 K, where the smoothly increasing deviation of the experimental data from the theory on cooling from 130 K to T N is deduced to arise from dynamic short-range collinear c -axis AFM ordering in this temperature range driven by the exchange interactions.

36 MATERIALS SCIENCE↗

NASA NTRS1991

Unified aeroacoustics analysis for high speed turboprop aerodynamics and noise. Volume 3: Application of theory for blade loading, wakes, noise, and wing shielding

Results of the program for the generation of a computer prediction code for noise of advanced single rotation, turboprops (prop-fans) such as the SR3 model are presented. The code is based on a linearized theory developed at Hamilton Standard in which aerodynamics and acoustics are treated as a unified process. Both steady and unsteady blade loading are treated. Capabilities include prediction of steady airload distributions and associated aerodynamic performance, unsteady blade pressure response to gust interaction or blade vibration, noise fields associated with thickness and steady and unsteady loading, and wake velocity fields associated with steady loading. The code was developed on the Hamilton Standard IBM computer and has now been installed on the Cray XMP at NASA-Lewis. The work had its genesis in the frequency domain acoustic theory developed at Hamilton Standard in the late 1970s. It was found that the method used for near field noise predictions could be adapted as a lifting surface theory for aerodynamic work via the pressure potential technique that was used for both wings and ducted turbomachinery. In the first realization of the theory for propellers, the blade loading was represented in a quasi-vortex lattice form. This was upgraded to true lifting surface loading. Originally, it was believed that a purely linear approach for both aerodynamics and noise would be adequate. However, two sources of nonlinearity in the steady aerodynamics became apparent and were found to be a significant factor at takeoff conditions. The first is related to the fact that the steady axial induced velocity may be of the same order of magnitude as the flight speed and the second is the formation of leading edge vortices which increases lift and redistribute loading. Discovery and properties of prop-fan leading edge vortices were reported in two papers. The Unified AeroAcoustic Program (UAAP) capabilites are demonstrated and the theory verified by comparison with the predictions with data from tests at NASA-Lewis. Steady aerodyanmic performance, unsteady blade loading, wakes, noise, and wing and boundary layer shielding are examined.

Hanson, D. B.↗

NASA NTRS1994

Technology Benefit Estimator (T/BEST): User's Manual

The Technology Benefit Estimator (T/BEST) system is a formal method to assess advanced technologies and quantify the benefit contributions for prioritization. T/BEST may be used to provide guidelines to identify and prioritize high payoff research areas, help manage research and limited resources, show the link between advanced concepts and the bottom line, i.e., accrued benefit and value, and to communicate credibly the benefits of research. The T/BEST software computer program is specifically designed to estimating benefits, and benefit sensitivities, of introducing new technologies into existing propulsion systems. Key engine cycle, structural, fluid, mission and cost analysis modules are used to provide a framework for interfacing with advanced technologies. An open-ended, modular approach is used to allow for modification and addition of both key and advanced technology modules. T/BEST has a hierarchical framework that yields varying levels of benefit estimation accuracy that are dependent on the degree of input detail available. This hierarchical feature permits rapid estimation of technology benefits even when the technology is at the conceptual stage. As knowledge of the technology details increases the accuracy of the benefit analysis increases. Included in T/BEST's framework are correlations developed from a statistical data base that is relied upon if there is insufficient information given in a particular area, e.g., fuel capacity or aircraft landing weight. Statistical predictions are not required if these data are specified in the mission requirements. The engine cycle, structural fluid, cost, noise, and emissions analyses interact with the default or user material and component libraries to yield estimates of specific global benefits: range, speed, thrust, capacity, component life, noise, emissions, specific fuel consumption, component and engine weights, pre-certification test, mission performance engine cost, direct operating cost, life cycle cost, manufacturing cost, development cost, risk, and development time. Currently, T/BEST operates on stand-alone or networked workstations, and uses a UNIX shell or script to control the operation of interfaced FORTRAN based analyses. T/BEST's interface structure works equally well with non-FORTRAN or mixed software analysis. This interface structure is designed to maintain the integrity of the expert's analyses by interfacing with expert's existing input and output files. Parameter input and output data (e.g., number of blades, hub diameters, etc.) are passed via T/BEST's neutral file, while copious data (e.g., finite element models, profiles, etc.) are passed via file pointers that point to the expert's analyses output files. In order to make the communications between the T/BEST's neutral file and attached analyses codes simple, only two software commands, PUT and GET, are required. This simplicity permits easy access to all input and output variables contained within the neutral file. Both public domain and proprietary analyses codes may be attached with a minimal amount of effort, while maintaining full data and analysis integrity, and security. T/BESt's sotware framework, status, beginner-to-expert operation, interface architecture, analysis module addition, and key analysis modules are discussed. Representative examples of T/BEST benefit analyses are shown.

Generazio, Edward R.↗

DOE OSTI2023

Statistical analysis and degradation pathway modeling of photovoltaic minimodules with varied packaging strategies

Degradation pathway models constructed using network structural equation modeling (netSEM) are used to study degradation modes and pathways active in photovoltaic (PV) system variants in exposure conditions of high humidity and temperature. This data-driven modeling technique enables the exploration of simultaneous pairwise and multiple regression relationships between variables in which several degradation modes are active in specific variants and exposure conditions. Durable and degrading variants are identified from the netSEM degradation mechanisms and pathways, along with potential ways to mitigate these pathways. A combination of domain knowledge and netSEM modeling shows that corrosion is the primary cause of the power loss in these glass/backsheet PV minimodules. We show successful implementation of netSEM to elucidate the relationships between variables in PV systems and predict a specific service lifetime. The results from pairwise relationships and multiple regression show consistency. This work presents a greater opportunity to be expanded to other materials systems.

electrical measurements↗

DOE OSTI2022

Measurements of the thermal conductivity of reference liquids using a modified transient hot-wire needle probe

Many power generation processes feature some type of working fluid that plays a critical role in the transfer of heat throughout the system. To optimize thermal efficiencies, an accurate characterization of the temperature-dependent thermal conductivity of the fluid is needed. Herein, this study develops a time-domain Modified Transient Hot-wire Needle Probe to overcome phenomena that have impaired traditional measurement techniques when the fluid is both corrosive and at an elevated temperature. First, the physical design of the instrument is presented to demonstrate features that limit interference from corrosion, electrical conduction, and convective and radiative heat transfer. Next, a governing equation for 1D (radial) heat conduction is fully developed using the thermal quadrupoles technique. A finite-element study is performed for validation. A sensitivity analysis is done to assess the time-dependent influence of critical parameters in the governing equation for several samples. Finally, thermal conductivity measurements are presented for seven different liquid substances by fitting the thermal model to experimental data across a range of temperatures. Reference correlations are included for comparison. The sample thermal conductivity and ambient temperature of the experimental conditions range from 0.125–16.5$\frac{W}{m·K}$ and 10–400°C, respectively. The total uncertainty, comprised of both the experimental design and fitting process, of all measurements is quantified.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2020

Radiation shielding analysis of the concrete hutch of a long beamline of the Advanced Photon Source Upgrade project

The radiation shielding analysis of the external concrete enclosure of a feature long beamline of the Advanced Photon Source Upgrade project is described in this work. The beamline has 2 undulators that can operate in two different configurations and the source terms are estimated for the worst configuration using the SRW code in the OASYS package as well as the STAC8 code. The shielding analysis is carried out using the STAC8 code, and for the case of pink beam, with the FLUKA code also. Effective dose rates on contact with the outside surface of the concrete walls for pink, reflected full spectrum and monochromatic beams are calculated. For the monochromatic beams, 2 sets of discrete bandwidths (BW) from the Double Crystal Monochromator (DCM) and the full reflectance of the Double Multilayer Monochromator (DMM) are used. Further, due to the size of the direct beam and the energy domain of interest in the direct and scattered fields, the importance of the equivalent dose to the lens of the eye is discussed with respect to the shielding calculations of such facilities. The dose rates outside the concrete hutch in the lateral directions calculated using STAC8 is about 50% higher than the FLUKA results for the case of pink beam but may be considered as a reasonable agreement due to the differences in the calculational methodologies. Those dose rates in the lateral and forward directions are higher for the pink beam to allow full occupancy from the radiation protection point of view. For the full spectrum after 3 reflections, the effective dose rates are less than 0.5 Sv/h in the lateral direction but is higher in the forward region below about 22° with respect to the beam direction. For the DCM beams, except for the scenario with one mirror and 0.1%BW, all dose rates are less than 0.5 Sv/h outside the concrete hutch in the lateral directions. Here, the higher harmonics are what contributes to the dose outside the shield and the bandwidths assumed to derive the photon flux thus becomes important. The dose rates with the DMM are generally lower compared to the 0.1% BW DCM beam but are higher than the results obtained with XOP calculated bandwidths.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2024

Uncertainty-aware particle segmentation for electron microscopy at varied length scales

Electron microscopy is indispensable for examining the morphology and composition of solid materials at the sub-micron scale. To study the powder samples that are widely used in materials development, scanning electron microscopes (SEMs) are increasingly used at the laboratory scale to generate large datasets with hundreds of images. Parsing these images to identify distinct particles and determine their morphology requires careful analysis, and automating this process remains challenging. In this work, we enhance the Mask R-CNN architecture to develop a method for automated segmentation of particles in SEM images. We address several challenges inherent to measurements, such as image blur and particle agglomeration. Moreover, our method accounts for prediction uncertainty when such issues prevent accurate segmentation of a particle. Recognizing that disparate length scales are often present in large datasets, we use this framework to create two models that are separately trained to handle images obtained at low or high magnification. By testing these models on a variety of inorganic samples, our approach to particle segmentation surpasses an established automated segmentation method and yields comparable results to the predictions of three domain experts, revealing comparable accuracy while requiring a fraction of the time. These findings highlight the potential of deep learning in advancing autonomous workflows for materials characterization.

36 MATERIALS SCIENCE↗

NASA NTRSDate not supplied

Ensuring Safe Decision-Making on the Moon and Mars: Cognitive Performance Assessment for Exploration Class Mission EVA

Extravehicular activity (EVA) is one of the most dangerous and cognitively demanding actions that astronauts can execute, and the cognitive demands associated with future partial gravity EVAs on the Moon and Mars are expected to be higher compared to microgravity EVAs currently conducted from the International Space Station. Decrements in cognitive performance present an important risk to crew safety during exploration mission class EVA. Yet there is currently insufficient data to characterize cognitive performance prior to, during, and following EVA. Furthermore, it is still unclear which cognitive domains are most important for conducting mission critical decisions with crew safety implications. To address this gap, we conducted a cognitive task analysis (CTA) of EVA to characterize the procedures, the cognitive demands required, and the critical safety decisions associated with decrements in cognitive performance. We conducted a cognitive task analysis with 15 astronauts and subject matter experts in EVA operations and research. Interviews focused on surface exploration EVA and elicited feedback from experts on the cognitive skills required for specific EVA tasks, including cognitive strategies, critical cues, and decision-making strategies. A cognitive demands table was assembled to consolidate and synthesize the information from all interviews. The information from this cognitive task analysis informs ongoing exploration EVA for Moon to Mars. This work identifies the specific cognitive challenges that astronauts are likely to encounter during surface exploration EVA, and provides the foundation for: (1) prioritized and targeted cognitive performance measurement and functional performance tests, (2) EVA simulation design at varying levels of cognitive workload, and (3) the development of training and other technologies that can improve safe decision-making and inform EVA planning on future spaceflight missions to the Moon and Mars.

Steven R Anderson↗

DOE OSTI2021

Numerical Modelling of a Two-Body Point Absorber Featuring Variable Geometry

This work presents a novel wave energy converter (WEC) device concept that incorporates variable geometry modules into a two-body point absorber type WEC. The variable geometry modules consist of air inflatable bags in the surface float and a water inflatable ring in the reaction body. The variable geometry floats are able to provide greater control over the device hydrodynamics; they can be inflated or deflated to emphasize either power absorption or load shedding. The device geometry is controlled in a quasi-static fashion, while the power take-off (PTO) unit is controlled on a wave-to-wave timescale. The surface float is tethered directly to the submerged reaction body through PTO tether lines. A linear time-domain analysis, conducted using open-source Wave Energy Converter (WEC-Sim) software, was used to estimate the absorbed power of the WEC in sea states defined by the Wave Energy Prize. WEC power performance was weighted against the expected capital cost of building the load bearing structure of the device, providing an estimated ACE value. The inclusion of the variable geometry modules was shown to be effective in altering the device geometry to improve power capture with a near proportional increase in expected costs, providing a nearly constant power-to-cost ratio.

cost of energy↗

DOE OSTI2022

DNS of Hydrodynamic Instabilities of Laminar H2/O2/N2 Flames at Elevated Pressure

The atypical combustion properties of hydrogen have long provided an interest for hydrogen-enriched combustion, emphasized in recent years by increasingly stringent emission regulations. Significant work has been focused on the small hydrocarbon(C1-C3)/hydrogen blends, but much less is known about the effect of hydrogen on heavier hydrocarbon combustion, of interest for the aviation and automotive industry. In this work, we perform direct numerical simulations (DNS) of spherically expanding laminar n-dodecane/H2 flames in a constant-volume vessel at elevated pressure and a range of hydrogen seeding levels. A low Mach number model is used to represent the gas and flame dynamics allowing for a temporally varying, spatially homogeneous pressure field, while also enabling numerical evolution of the system numerically at time step sizes governed by the advective CFL limit rather than acoustic processes. We use an adaptive mesh refinement (AMR) approach to tackle the large separation of scales associated with high pressure premixed flame surfaces propagating in a laboratory-scale closed domain. We incorporate detailed chemistry and transport models for the reacting flow and focus the analysis on the effects of the pressure rise on the flame propagation characteristics and morphology as the hydrogen content is increased. The presence of fast diffusive H2 and the pressure rise results in dramatic thinning of the flame and the potential onset of hydrodyanmic and theromdiffusive instabilities. We assess the potential role of these instabilities on the ability to accurately measure laminar burning speed experimentally based on the mean flame surface propagation speed.

high pressure↗

DOE OSTI2025

Single-Walled Zeolitic Nanotube–Poly(oxazoline) Nanocomposites as Heterogeneous Catalysts for Acid–Base Cascade Reactions

Zeolites with a unique, 1-dimensional form factor were recently discovered − zeolite nanotubes (ZNTs). Here we describe the synthesis and characterization of NaH-ZNTpoly( oxazoline) composites targeting liquid-phase acid−base cascade catalysis. NaH-ZNT, a one-dimensional zeolite analogue with mesoporosity (3−4 nm) associated with nanotubes and inherent Brønsted acid sites associated with the microporous zeolite domains, is functionalized with poly(oxazoline)-based triblock copolymers with varying molecular weights (3−17 kDa). The composites are characterized using N2 sorption, STEM, FTIR, and elemental analysis, confirming successful grafting and preservation of the zeolite nanotube structure. The composites’ catalytic performance is evaluated through separate acid and base reactions, followed by a combined cascade of a deacetalization−Knoevenagel condensation for the synthesis of chalcone compounds. High initial reaction rates are demonstrated, but modest overall cascade product formation rates are observed, attributed to interactions between Brønsted acid sites and base amine groups that occur in the polymer-grafted systems. Physical mixtures of NaH-ZNT-SH and poly(oxazoline)s, lacking covalent linkages between ZNT and the polymer, support this supposition. This work demonstrates the potential of NaH-ZNT-poly(oxazoline) composites for liquid-phase cascade catalysis for synthesizing compounds of potential medicinal interest, highlighting the benefits of the grafting-to approach as well as the need for further optimization of the catalytic performance.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NASA NTRS1984

Description of sunspot cycles by orthogonal functions

Based on the principal component analysis technique and evidence for a 22-yr double-sunspot cycle periodicity. The time series of sunspot numbers is represented as a sum of mutually orthogonal eigenvectors in the time domain. It is shown that the first two eigenvectors account for about 90 percent of the cumulative 'signal power,' and that this is sufficient for reconstruction of the raw data curve. It is also noted that the second eigenvector behaves as the time derivative of the first, and that a phase-plane plot of these eigenvectors (i.e. a plot of a variable vs. its rate of change) suggests that the sun's sunspot cycle is driven by an oscillator; the implication is that, embedded within the sun, a chronometer is at work (e.g. Dicke, 1979).

Teuber, D. L.↗

NASA NTRS2020

Application of Quasi-Static Modal Analysis to an Orion Multi-Purpose Crew Vehicle Test

Bolted structural joints often exhibit load-dependent stiffness and energy dissipation that leads to nonlinear, amplitude dependent frequency and damping in the structure. As an alternative to direct integration of the nonlinear equations of motion, quasi-static modal analysis (QSMA) determines the dependence of frequency and damping on response amplitude using loading behavior from nonlinear static analyses. QSMA has previously been demonstrated to substantially reduce computational cost and maintain accuracy relative to full nonlinear dynamic simulation. This work explores the applicability of QSMA to a complex, large-scale aerospace structure. QSMA is employed to analyze a nonlinear model of test hardware developed to support the Orion Multi-Purpose Crew Vehicle program, which exhibited nonlinear behavior during dynamic testing at flight-like load levels. In addition to the extraction of amplitude-dependent frequency and damping curves, a Bouc-Wen hysteresis model was used in conjunction with the quasi-static results to develop nonlinear, uncoupled, time-domain modal equations of motion for the structure. Excellent agreement was observed between the reduced and full-order nonlinear models, encouraging future employment of QSMA to support accurate and efficient model reduction of structures with bolted joint nonlinearities.

QSMA↗

DOE OSTI2017

Lithium Battery Health and Capacity Estimation Techniques Using Embedded Electronics

This report details work at Sandia National Laboratories in development of a lithium-ion battery management system (BMS) designed to detect the state of charge (SOC) and state of health (SOH) of a battery. The goal was to create a BMS that provides advanced SOH information without adding complexity to the hardware already required for monitoring battery safety. The hardware is designed to have low processor requirements and relatively low cost components, while offering several high end battery management options like communication, automatic SOC detection, capacity tracking, and multiple SOH characteristics. The methods for detecting capacity include coulomb counting and resistance-compensated voltage calculations. Several methods for assessing the SOH were also considered, including deviations in capacity using coulomb counting, DC resistance analysis, and time domain resistance analysis.

25 ENERGY STORAGE↗