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All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Isotherm Modeling and Techno-Economic Analysis of Contactor Technologies for New Tetraamine-Appended MOF for NGCC Applications

Recently, a family of tetraamine-functionalized metal-organic frameworks (MOF) has been reported as promising sorbent materials for capturing CO2 from flue gas conditions relevant to natural gas combined cycle (NGCC) applications. The main advantages of these materials are their two-step cooperative CO2 adsorption, which gives rise to unusual two step-shaped CO2 adsorption profiles and their high thermal stability. This work presents the modelling of the two-transition isotherm of the tetraamine-appended MOF, N,N'-bis(3-aminopropyl)-1,4-diaminobutane (3-4-3)-appended Mg2(dobpdc), and the techno-economic analysis (TEA) of carbon capture processes utilizing this sorbent. Due to the unusual isotherm shapes of the experimental CO2 adsorption data for tetraamine-appended Mg2(dobpdc) and the strong nonlinearity of CO2 loading with respect to temperature and pressure, we tested two different models which use logistic functions for representing the different isotherm behaviors in the different pressure ranges. The first model uses the quadratic isotherm model in the low-pressure region, the Langmuir isotherm model in the middle pressure range, and the dual site Langmuir isotherm model in the high-pressure range. To model the transition between regions we used the arctangent functions independent of temperature and the thermal effect was accounted by using the Clausius-Clapeyron relation]. The second model is an extension of the weighted dual-site Langmuir isotherm model presented by Hughes et al.. In this extended model, the dual-site Langmuir isotherm is employed in the three transition regions, using temperature-dependent logistic functions to activate or deactivate the isotherm model in the low, middle, and high-pressure ranges. Both models fit the experimental data quite well with root mean squared errors (RMSE’s) of 0.41 and 0.17 for model 1 and model 2, respectively. Since model 2 resulted in a lower RMSE, it was leveraged for the development of the gas/solid contactor models used by the TEA. Specifically, two different contactor models, an axial-flow fixed bed and moving bed contactor, were developed as part of this work. These models are dynamic, pressure-driven, and consist of mass, energy, and momentum conservation equations. A kinetic model was also developed by performing parameter estimation using experimental fixed bed breakthrough data. These models are then used to simulate CO2 capture processes from the flue gas generated from a ~600 gross MW NGCC power plant. A cost model was developed which considers the capital cost of the reactors and the significant operating costs such as steam and electricity. Using NETL’s Framework for the Optimization and Quantification of Uncertainty of Uncertainty and Surrogates tool (FOQUS), which has the capability of linking models built using numerous modelling platforms with derivative-free optimization solvers, a techno-economic optimization of the carbon capture processes was performed which minimizes the cost of capture.

Caballero, Daison↗
DOE OSTI2025

Unified Model of Current-Limiting Grid-Forming Inverters for Large-Signal Analysis

Grid-forming (GFM) inverters can hardly withstand any overloading. As such, GFM inverters need a current limiter in their control system to avoid hardware damage during overloading or grid disturbances. When the current limiter is engaged for inverter protection, however, it dynamically changes the inverter output impedance, which can significantly affect the system behavior against large disturbances. For example, when the current limiter curtails the output power, the primary controller of the GFM inverter-which generates the voltage and angle reference-is prone to losing synchronization with the grid. This can cause large-signal instability in the network. This paper presents a unified GFM current-limiter model to gain a deeper understanding of the impact of the GFM inverter current limiting on large-signal instability and other system behaviors. The unified model captures several well-known current limiters for GFM inverters, and it reveals their large-signal equivalence characterized by the limiter angle. We use the unified model to present in-depth insights into the driving forces that cause large-signal instability in GFM inverter-driven grids. Further, this paper illustrates that the unified model can be used as a tool for assessing the system-level impacts of various GFM current-limiter designs during grid disturbances. Using numerical, analytical, electromagnetic transient models, and a hardware setup, the validity of the unified model is evaluated.

24 POWER TRANSMISSION AND DISTRIBUTION↗
DOE OSTI2021

Development of five-moment two-fluid modeling for Z-pinch physics

The Z-pinch m = 0 instability as well as its stabilization by radially sheared axial flow is studied using the nonlinear ideal five-moment twofluid (5M2F) model with an extension of that model to include Braginskii heat and momentum transport. Using the ideal 5M2F model, linear growth rate results are compared with prior work using MHD and Hall MHD. At small normalized wavenumber, 1 < k a < 4 , where a is the effective pinch radius, 5M2F results agree with Hall MHD within 20% in scenarios without radially sheared axial flow. With the sheared flow and focusing on ka = 10/3, agreement with Hall MHD is excellent. In the limit of small ion inertial length, results also match with MHD. A comparison with PIC modeling of shear-free m = 0 stability focuses on a plasma scenario based on recent experimental results. In a scan of mode wavenumber, ideal 5M2F results are qualitatively similar to PIC: the growth rate rises to a peak at a moderate wavenumber and declines at a large wavenumber in contrast to MHD results, which show the saturation of the growth rate with the increasing wavenumber rather than a decline. The peak normalized 5M2F growth rate is &#x3B3; &#x3C4; A = 1.5 , where sA is the Alfven transit time across the pinch. The peak occurs at normalized wavenumber ka = 10. For comparison, PIC results have a peak growth of &#x3B3; &#x3C4; A = 0.77 at ka = 5. Including Braginskiibased closure of the 5M2F model does not qualitatively change the ideal results in this particular case. Nonlinear saturation is studied using the 5M2F model with the dissipative Braginskii-based closure in cases with pinch-edge sheared-flow speed equal to half the Alfven speed. Nonlinear mixing due to the sheared flow yields a quasi-steady state after modest losses of pinch ion inventory and pinch thermal energy, approximately 30% and 10%, respectively. 5M2F modeling captures the essential physics of m = 0 instability and offers a computationally tractable route to high-fidelity modeling of 3D Z-pinch behavior, including m = 1 instability.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2022

Predation probabilities and functional responses: How piscivorous waterbirds respond to pulses in fish abundance

Abstract How predators respond to changes in prey abundance (i.e., functional responses) is foundational to consumer–resource interactions, predator–prey dynamics, and the stability of predator–prey systems. Predation by piscivorous waterbirds on out‐migrating juvenile steelhead trout ( Oncorhynchus mykiss ) is considered a factor affecting the recovery of multiple Endangered Species Act‐listed steelhead populations in the Columbia River basin. Waterbird functional responses, however, may vary by predator species and location, with important implications to predator management strategies. We used a 13‐year dataset on waterbird abundance across seven breeding colonies (three Caspian tern [ Hydroprogne caspia ], two double‐crested cormorant [ Nannopterum auritum ], and two California and ring‐billed gull [ Larus californicus and Larus delawarensis ] colonies) and steelhead tag‐recovery data (>645,000 tagged and >32,000 recovered steelhead) to quantify weekly predation probabilities and functional responses across waterbird species, colonies, and years. Weekly predation probabilities were highly variable, ranging from 0.01 to 0.30 at tern colonies, 0.01 to 0.20 at cormorant colonies, and 0.03 to 0.13 at gull colonies. Per capita predation probabilities were an order of magnitude higher at inland tern and cormorant colonies relative to estuary colonies of the same species. Terns displayed Type II functional responses across colonies and years, where predation probabilities peaked at low steelhead abundances and declined as steelhead abundance increased (i.e., predator swamping). Cormorants nesting at the large estuary colony (several thousand birds) displayed a Type III functional response, but cormorants nesting at the smaller inland colony (several hundred birds) displayed a Type II response. Consumption probabilities of steelhead by gulls remained consistent across a large range of steelhead availability, suggesting a Type I or a Type III functional response, but a lack of colony abundance data prevented quantifying functional responses. The level of tern predation combined with Type II functional responses indicate possible population‐level impacts that could destabilize small or declining prey populations. Conversely, the apparent Type III functional responses of gulls and estuary nesting cormorants are indicative of prey switching behaviors targeted at periods of high steelhead abundance. Our results illustrate the complexity of predator–prey interactions and the importance of quantifying predator‐ and location‐specific functional responses when predicting the efficacy of management strategies to enhance prey populations.

Hostetter, Nathan J.↗
DOE OSTI2022

Diels–Alder Augmented Epoxies with Plasmonic Nanoparticle Fillers for Efficient Photothermal Depolymerization

Thermally reversible epoxies through the Diels–Alder (DA) reaction have been used for applications such as recycling, self-healing, and 3D printing. Depolymerization by bulk heating, however, would be a slow and inefficient process due to its low thermal conductivity. In this paper, photothermal conversion using refractory plasmonic titanium nitride (TiN) nanoparticles was employed for efficient and rapid depolymerization of reversible epoxies. TiN nanoparticles have superior thermal stability, broader light absorption, and higher light-to-heat conversion efficiency. They are also less expensive than more common plasmonic gold nanoparticles. Photothermal behavior of TiN nanoparticle-filled reversible epoxies was investigated as a function of concentration of TiN nanoparticles and as a function of the intensity of a light source. TiN nanoparticles could induce sufficient heat for depolymerization with a trace content, 0.01% by weight, under a broad-spectrum white light of intensity 1760 mW/cm 2 instead of a strong light source such as a laser. The reversible epoxies were prepared by a reaction between furan precursors and a bismaleimide compound. Crosslinking density was controlled by altering the architecture of furan precursors and the feed ratio between the furan precursor and the bismaleimide compound. These changes in chemical structure and degree of crosslinking permit the control of the thermomechanical properties of the reversible epoxy from soft elastomers to hard elastomers. Here, the reversible epoxies display a flow region at around 110 °C. Depolymerization through the retro-DA was confirmed by Fourier transform infrared spectroscopy as a function of duration at a high temperature. Light-induced removability and recyclability were demonstrated by adhesion tests using the reversible epoxy/nanoparticle composites.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Slow Wake Recovery and Low Turbulence Behind Wind Farms Parameterized in Mesoscale Simulations

Numerical weather prediction (NWP) and climate models equipped with wind-farm parameterizations (WFPs) can simulate cluster wake effects affecting downstream wind farms in both onshore and offshore environments. This study evaluates wake recovery behind a wind farm represented by the NWP-WFP approach in the Weather Research and Forecasting (WRF) model using either the Fitch et al. (2012) or Ma et al. (2022a, b) WFPs. Results are benchmarked against large-eddy simulations (LES) of an idealized offshore wind farm with aligned and staggered layouts under neutral atmospheric stability. Near-farm wake recovery is underestimated in NWP-WFP simulations due to its representation on a coarse mesoscale grid. This limitation leads to slow wake recovery through two interconnected mechanisms: (i) spatial gradients in the wind velocity field are weaker compared to LES and (ii) turbulence kinetic energy (TKE) remains low not because of excessive dissipation but due to insufficient shear production caused by these weakened gradients. For the scenario considered here, a wind-speed bias develops in the near-farm wake and persists into the far wake. Differences between the NWP-WFP simulations and LES emerge within a short distance downstream of the farm exit, where the mesoscale simulations recover too slowly. This reduced recovery contributes approximately 0.15-0.50 m s-1 to the near-farm wind-speed bias. The bias established in this region is not subsequently compensated for downstream but instead propagates into the far wake, where wind-speed differences of approximately 0.4-0.6 m s-1 remain up to 50 km downstream. Higher-resolution mesoscale simulations partially reduce this bias. Increasing turbine-added TKE or including subgrid wake effects provides additional improvement, but neither fully addresses the underlying cause. The slow wake recovery is not caused by limitations of the WFPs themselves, as it also occurs outside their region of influence, and adding subgrid wake effects does not significantly impact recovery. Rather, the slow wake recovery is a consequence of mesoscale flow representation. This behavior is not limited to regions downstream of the wind farm but is less visible within the farm, where wake recovery occurs simultaneously with turbine-induced momentum extraction. These results highlight the need for improved representations of wake recovery both within and downstream of wind farms. While enhanced subgrid modeling, shear-driven TKE production, and refined WFP formulations may improve intra-farm dynamics, accurately capturing near-farm wake recovery downstream remains challenging, as WFPs do not act in this region.

17 WIND ENERGY↗
NASA NTRS1995

Excitable dynamics in high-Lewis number premixed gas combustion at normal and microgravity

Freely-propagating, premixed gas flames in high-Lewis (Le) number, quiescent mixtures are studied experimentally in tubes of various diameter at normal (lg) and microgravity (mu g). A premixture of lean butane and oxygen diluted with helium, argon, neon, nitrogen or a mixture of multiple diluents is examined such that the thermal diffusivity of the mixture (and to a lesser extent, the mass diffusivity of the rate-limiting component) is systematically varied. In effect, different diluents allow variation of the Le without changing the chemistry. The flames are recorded with high speed cinematography and their stability is visually assessed. Different modes of propagation were observed depending on the diameter of the tubes (different conductive heat loss), the composition of the mixture and the g-level. At 1g, four modes of propagation were observed in small and intermediate diameter tubes (large conductive heat loss): (1) steadily propagating flames, (2) radial and longitudinal pulsating flames, (3) 'wavering' flames, and (4) rotating spiral flames. As the diameter of the tube increases, the radial modes become more pronounced while the longitudinal modes systematically disappear. Also, multiple, simultaneous, spatially-separated 'pacemaker' sites are observed in intermediate and large diameter tubes. Each site starts as a small region of high luminosity and develops into a flamelet which assumes the form of one of the fore mentioned modes. These flamelets eventually interact, annihilate each other in their regions of intersection and merge at their newly created free-ends. For very large tubes, radially-propagating wave-trains (believed to be 'trigger waves') are observed. These are analogous to the radial pulsations observed in the smaller diameter tubes. At mu g, three modes of propagation have been observed: (1) steadily propagating flames, (2) radial and longitudinal pulsating flames, and (3) multi-armed, rotating flames. Since the pulsating mode exists at mu g and 1g, buoyant flicker is not the mechanism which drives the pulsations. Moreover, all of the instabilities at 1g and mu g have characteristic frequencies on the O(100Hz). This value is lower than the fundamental, longitudinal acoustic frequencies of the tubes which suggests that the instabilities are not acoustically driven. The patterns formed by this reaction bear remarkable similarities with the patterns formed in most excitable media when the behavior of the system is driven by couplings between chemical reaction and diffusion (e.g., Belousov-Zhabotinsky reaction, Patterns in slime molds, spiral waves in the retina of a bird's eye). While it is recognized that the chemical mechanism associated with this premixed gas reaction is exponentially sensitive to temperature and undoubtedly different from those which govern previously observed excitable media (most are isothermal, or weakly exothermic, liquid phase reactions), similar spatial and temporal patterns should not come as a complete surprise considering heat and mass diffusion are self similar. It is concluded that this premixed gas system is a definitive example of a diffusive-thermal, gas-phase oscillator based on these experimental results and their favorable comparison with theory.

Pearlman, Howard↗
DOE OSTI2023

Bead–Spring Simulation of Ionomer Melts—Studying the Effects of Chain-Length and Associating Group Fraction on Equilibrium Structure and Extensional Flow Behavior

Ionomers are associative polymers with diverse applications ranging from selective membranes and high-performance adhesives to abrasion- and chemical-resistant coatings, insulation layers, vacuum packaging, and foamed sheets. Within equilibrium melt, the ionic or associating groups are known to form thermally reversible, associative clusters whose presence can significantly affect the system’s mechanical, viscoelastic, and transport properties. It is, thus, of great interest to understand how to control such clusters’ size distribution, shape, and stability through the designed choice of polymer architecture and the ionic groups’ fraction, arrangement, and interaction strength. In this work, we represent linear associating polymers using a Kremer–Grest type bead–spring model and perform large-scale MD simulations to explore the effect of polymer chain-length (l) and fraction (f s ) of randomly placed associating groups on the size distribution and stability of formed clusters. We consider different chain-lengths (below and above entanglement), varying fractions of associating groups (represented by ‘sticky’ beads) between 5 and 20%, and a fixed sticky–sticky nonbond interaction strength of four times that between regular non-associating beads. For all melts containing associating groups the equilibrium structure factor S(q) displays a signature ionomer peak at low wave vector q whose intensity increases with increasing f s and l. The average cluster size Nc increases with f s . However, the effect of chain-length on Nc appears to be pronounced only at higher values of f s . Under extensional flows, the computed stress (and viscosity) is higher at higher f s and l regardless of strain rate. Beyond a critical strain rate, we observe fragmentation of the associative clusters, which has interesting effects on the stress/viscous response.

36 MATERIALS SCIENCE↗
DOE OSTI2022

An Efficient Copper-Based Redox Shuttle Bearing a Hexadentate Polypyridyl Ligand for DSCs under Low-Light Conditions

A Cu complex featuring a hexadentate ligand was synthesized and evaluated as a redox shuttle in dye-sensitized solar cell (DSC) devices, which exhibited excellent performance under low-light conditions. Cu-based redox shuttles (RSs) have been shown to perform remarkably well under low-light conditions; however, most of the known Cu-based RSs employ bidentate pyridyl ligands and often require bulky flanking groups adjacent to the nitrogen donors of these ligands to prevent distortion and binding of exogenous Lewis bases such as 4- tert -butylpyridine (TBP) that are added to enhance cell performance. Without the bulky substituents, the bidentate ligands are susceptible to ligand exchange with TBP. In this context, we have developed a Cu-based RS with a preorganized multidentate ligand designed to facilitate efficient electron transfer kinetics and high stability via the chelate effect. The Cu system, [Cu(bpyPY4)] 2+/+ , reported here is supported by the hexadentate polypyridyl ligand bpyPY4 (6,6'-bis(1,1-di(pyridine-2-yl)ethyl)-2,2'-bipyridine) and examined as a RS in DSCs. From X-ray crystallography and variable-temperature 1 H NMR studies, bpyPY4 provides a dynamic coordination environment around the metal center. Cyclic voltammetry and UV–visible and NMR spectroscopy indicate that noncoordinated pyridyl donors block binding of TBP to copper. DSC devices using [Cu(bpyPY4)] 2+/+ as the redox electrolyte gave a power conversion efficiency (PCE) value of 4.9% under 1 sun illumination (100 mW/cm 2 ). Strikingly, the device performance increased to 11.11% when irradiated with 2400 lux (0.5 mW/cm 2 ) via a fluorescent lamp light source and improved further to 15.2% PCE at 13500 lux (2.10 mW/cm 2 ). In conclusion, the Cu redox shuttle is an intriguing candidate for implementation with narrow band gap sensitizers with low oxidation potentials, which are important for high photocurrent DSC devices.

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

Chemically Stable Polyarylether-Based Metallophthalocyanine Frameworks with High Carrier Mobilities for Capacitive Energy Storage

Covalent organic frameworks (COFs) with efficient charge transport and exceptional chemical stability are emerging as an import class of semiconducting materials for opto-/electronic devices and energy-related applications. However, the limited synthetic chemistry to access such materials and the lack of mechanistic understanding of carrier mobility greatly hinder their practical applications. Herein, we report the synthesis of three chemically stable polyarylether-based metallophthalocyanine COFs (PAE-PcM, M = Cu, Ni, and Co) and facile in situ growth of their thin films on various substrates (i.e., SiO 2 /Si, ITO, quartz) under solvothermal conditions. We show that PAE-PcM COFs thin films with van der Waals layered structures exhibit p -type semiconducting properties with the intrinsic mobility up to ~19.4 cm 2 V -1 s -1 and 4 orders of magnitude of increase in conductivity for PAE-PcCu film (0.2 S m -1 ) after iodine doping. Density functional theory calculations reveal that the carrier transport in the framework is anisotropic, with the out-of-plane hole transport along columnar stacked phthalocyanine more favorable. Furthermore, PAE-PcCo shows the redox behavior maximumly contributes ~88.5% of its capacitance performance, giving rise to a high surface area normalized capacitance of ~19 μF cm -2 . Overall, this work not only offers fundamental understandings of electronic properties of polyarylether-based 2D COFs but also paves the way for their energy-related applications.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1991

On the role of exchange of power and information signals in control and stability of the human-robot interaction

A human's ability to perform physical tasks is limited, not only by his intelligence, but by his physical strength. If, in an appropriate environment, a machine's mechanical power is closely integrated with a human arm's mechanical power under the control of the human intellect, the resulting system will be superior to a loosely integrated combination of a human and a fully automated robot. Therefore, we must develop a fundamental solution to the problem of 'extending' human mechanical power. The work presented here defines 'extenders' as a class of robot manipulators worn by humans to increase human mechanical strength, while the wearer's intellect remains the central control system for manipulating the extender. The human, in physical contact with the extender, exchanges power and information signals with the extender. The aim is to determine the fundamental building blocks of an intelligent controller, a controller which allows interaction between humans and a broad class of computer-controlled machines via simultaneous exchange of both power and information signals. The prevalent trend in automation has been to physically separate the human from the machine so the human must always send information signals via an intermediary device (e.g., joystick, pushbutton, light switch). Extenders, however are perfect examples of self-powered machines that are built and controlled for the optimal exchange of power and information signals with humans. The human wearing the extender is in physical contact with the machine, so power transfer is unavoidable and information signals from the human help to control the machine. Commands are transferred to the extender via the contact forces and the EMG signals between the wearer and the extender. The extender augments human motor ability without accepting any explicit commands: it accepts the EMG signals and the contact force between the person's arm and the extender, and the extender 'translates' them into a desired position. In this unique configuration, mechanical power transfer between the human and the extender occurs because the human is pushing against the extender. The extender transfers to the human's hand, in feedback fashion, a scaled-down version of the actual external load which the extender is manipulating. This natural feedback force on the human's hand allows him to 'feel' a modified version of the external forces on the extender. The information signals from the human (e.g., EMG signals) to the computer reflect human cognitive ability, and the power transfer between the human and the machine (e.g., physical interaction) reflects human physical ability. Thus the information transfer to the machine augments cognitive ability, and the power transfer augments motor ability. These two actions are coupled through the human cognitive/motor dynamic behavior. The goal is to derive the control rules for a class of computer-controlled machines that augment human physical and cognitive abilities in certain manipulative tasks.

Kazerooni, H.↗
NASA NTRS2022

Nonlinear Evolution of Instabilities in a Laminar Separation Bubble at a Hypersonic Mach Number

The development of both convective stationary perturbation as well as global instabilities in the vicinity of a laminar separation bubble above an axisymmetric compression corner in a hypersonic flow is investigated using numerical simulations. The flow configuration of primary interest corresponds to the cone-cylinder-flare model used in experimental measurements in the Boeing/AFOSR Mach-6 Quiet Tunnel at Purdue University. For a flare angle of 10 degrees and a unit Reynolds number of 11.5 x 10 6 m -1 , their surface flow visualizations identified the presence of streamwise elongated thermal streaks near the reattachment position and the dominant azimuthal spacing between the streaks was determined to be approximately 10 degrees (i.e., an azimuthal mode number of 36). Previous linear stability analyses predicted that the amplification characteristics of small amplitude, unsteady, convective instabilities within this flow were consistent with the surface pressure fluctuations measured in the experiment. However, their accompanying analysis of global instabilities had found the separation bubble to be weakly unstable at the 10 degrees flare angle, with the most unstable global mode corresponding to a stationary disturbance with an azimuthal wavenumber of m ≈ 5, which was well below the measured wavenumber of m = 36. Besides confirming the presence of the global instability at these flow conditions, the present numerical simulations quantify the details of the stationary equilibrium state associated with the supercritical bifurcation resulting from the nonlinear saturation of the unstable global mode. Although velocity perturbations associated with the saturated global mode are dominated by the fundamental spanwise wavelength associated with the linear global instability, the surface heat flux downstream of reattachment is dominated by m = 36 in agreement with experimental measurements. However, the shorter wavelength peak ( m = 36) in the azimuthal spectrum is not manifested as streaks with an azimuthal spacing of 10 degrees. An additional simulation of the combined evolution of both unsteady convective and global instabilities indicates that the nonlinear interactions between a broadband spectrum of oblique Mack’s first mode instabilities generate stationary vortex modes with a higher dominant wavenumber ( m = 60) as that observed in the experiments. Additional analyses are performed to predict the global mode behavior at other flare angles and how it differs from the convective centrifugal instability due to concave streamline curvature over the compression corner.

Hypersonic flow↗
NASA NTRS2013

Solar System Escape Architecture for Revolutionary Science

Our most distance spacecraft, Voyager 1 and Voyager 2, recently reached the boundary of the solar system known as the Heliopause. Beyond this boundary lies interstellar space, and, at tremendous distance, the stars. The Voyager spacecraft have shown us that the Heliopause is a dynamic, rapidly changing environment, varying greatly as the fields and effects emanating from the sun are met by a host of forces pushing in from our nearby galactic neighborhood. This is the region we aim to explore. Specifically we aim to develop a mission architecture and spacecraft concept capable of reaching the Heliopause (approximately100 AU (Astronomical Units)) region in multiple directions of interest, with a variety of scientific instrument suites, within a reasonable timeframe (about 15 years.) This report details our Phase 1 work including science goal definition, trajectory planning, technology research, mission planning, instrument selection, spacecraft design, and more. We present an architecture employing a 250-meter by 250-meter solar sail with a 175 kilogram spacecraft. This spacecraft could carry a variety of instrument suites depending on the destination, time, and other factors. The spin-stabilized spacecraft would powered by a small radioisotope power system (about 20 watts), makes use of an optical communication system, and carries 3 extensible booms for instrument accommodation as visible in the sketch and rendering below. We conclude that it would be reasonable to implement the architecture described herein in the 2020-2030 timeframe based on likely near-term technological and material advances. We are confident that cruise times of around 15 years could be achieved to science-rich destinations. This report details the approach we used to come to these conclusions and identifies some of the steps along the way. We utilized a variety of methodologies involving our full capability at JPL (Jet Propulsion Laboratory) - from small point studies to large collaborative engineering processes. This paper also describes potential industry partnerships and costing information, and includes the methods used to account for our project’s significant deviation from any prior mission in the NASA costing tool database. Outreach and public engagement is an important part of NASA activities. We engaged in several different forms of this outreach and describe them in this report. We conclude with some open questions and a summary of activities we hope to engage in with Phase 2 funding. The entire team would like to thank the NIAC (NASA Innovative Advanced Concepts) program for the opportunity to investigate this fascinating and challenging concept. The Voyager program gives us tantalizing clues as to the nature and behavior of the Heliopause – the boundary between the sun’s influence and the interstellar medium. This information comes from forty-year old instruments designed to study the outer planets. A targeted Heliopause investigation would give insight into the formation of the solar system, the role of the sun in the local interstellar neighborhood, and contribute to human exploration planning by helping to predict periods of low galactic cosmic ray (GCR) penetration into the inner solar system.

Spacecraft↗
DOE OSTI2025

First observations of edge instabilities in strongly shaped negative triangularity plasmas on DIII-D

Throughout the 2023 DIII-D negative triangularity (NT) campaign, unexpected magnetic fluctuations indicative of an edge localized instability were observed in the majority of strongly shaped (–0.55 ≤ δ ≤ –0.45) discharges. Moreover, these same fluctuations were found to be absent in weaker NT plasma shapes. Based on a database study, three separate mode behaviors are observed based primarily on the edge safety factor and normalized plasma beta β N . The main regime is the bursty state, in which short (~5 ms) magnetic bursts occur every 5–10 ms. Each burst drives a small reduction in the edge electron temperature (T e ) as measured by electron cyclotron emissions (ECE), which then rapidly recovers between the bursts. The quiescent regime appears to have governing mechanics similar to the bursty regime, but with multiple unique mode signatures observed in the magnetics. These additional modes greatly reduce the bursty nature of the plasma. Finally, a saturated state is observed in a number of discharges, particularly at early time slices. The saturated regime is often short-lived (maximum 500 ms), but can have a large impact on the dynamics of the plasma edge region, causing significant drops in electron temperature as observed in the ECE diagnostic. 2D ECE imaging (ECE-I) is utilized, showing large kink-like perturbations localized near the last closed flux surface that extend into the SOL indicative of an external kink/peeling behavior. Additionally, evidence of phase mixing and observed tearing-parity perturbations localized near the edge rational surfaces is observed in the quiescent regime plasmas. As a result, the various modes do not appear to have a large impact on global confinement but may play a role in regulating the transport of the NT edge and the observed edge gradients.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
NASA NTRSDate not supplied

Shock-Wave/Boundary-Layer Interaction (SWBLI) Experiments in the Presence of Transition-to-Turbulence on a Flat Plate Model in the NASA LaRC 31-Inch Mach 10 Air Tunnel

Historically, there have been a limited number of studies involving Transitional Shock-Wave/Boundary-Layer Interactions (XSWBLI) in hypersonic flows, the majority of which have been performed at Mach Numbers of 7.5 and below. Additionally, there have been even fewer such experiments which incorporate non-intrusive and optical diagnostics. NASA Langley Research Center (NASA LaRC), in collaboration with The University of Texas at San Antonio (UTSA) and The University of Tennessee Space Institute (UTSI), is currently planning and preparing for a series of experimental aerodynamic tests using the NASA LaRC 31-inch Mach 10 Air Tunnel. The experiments will primarily focus on studying the dynamics of Shock-Wave/Boundary-Layer Interactions (SWBLI) in the presence of transition (XSWBLI) and turbulence (SWTBLI) on a large, flat plate model at a freestream Mach number of 10. Besides continued interest in understanding the flow at high Mach numbers, executing such tests at Mach 10 avoids some known concerns and will aid in solving new problems. XSWBLI are a highly unsteady phenomena and the generation of XSWBLI at lower Mach numbers can prove to be a significant challenge. This concern will be somewhat mitigated in the Mach 10 flow, as boundary layers become increasingly stabilized, but some difficulty in achieving transition is still expected. Modelling SWBLI in the presence of transitional and turbulent boundary layers has also proven to be difficult, so a high-Mach number experiment which applies non-intrusive and optical diagnostics will aid in solving a unique problem as well as advancing the understanding and characterization of an aerodynamic surface at Mach 10.The NASA LaRC 31-inch Wind Tunnel incorporates a test section having a cross-section of 31-inches × 31-inches and provides optical access to the test section via three (3) ultra-violet (UV) transmitting windows on the top, side, and bottom. The Mach 10 operating conditions will consist of pressures (P0) ranging from 2.4 to 10MPa (348 to 1,450 psi) at a temperature (T0) of 1,000 K (1,800 °R). The NASA LaRC 31-inch wind tunnel will deliver 1-minute blow-down runs, of which 30-45 seconds will be consumed to reach the aforementioned test conditions. The pump down time between runs will be approximately 45-60 minutes, which will provide for 6-10 test runs per day over the course of a weeklong entry. The proposed flat plate model will be constructed of stainless steel with geometry consisting of a10-inch × 30-inch upper surface and a 2-inch thickness. The model will be designed to support multiple leading-edge inserts in order to examine blunt, round, and sharp leading edges at Mach 10. Adjustments will be made to manage boundary layer thickness as well as the strength and size of the shock interaction region for each test. Measurements and diagnostics will be performed though high-speed Schlieren, on-body high-speed pressure transducers, IR thermography, and oil flow visualization. Hypersonic vehicle applications have and will continue to emerge at the forefront of aerospace. The NASA-UTSA-UTSI team realizes the value of characterizing SWBLI, XSWBLI, and SWTBLI behaviors well beyond single-digit hypersonic Mach numbers. As hypersonic vehicle speed capabilities continue to increase, measurement and diagnostic methods for Mach numbers of 10 and beyond will provide the foundation for a firm understanding of flow field behavior which will directly influence the advancement of technologies towards the design and manufacturing of high-speed aerodynamic surfaces, controls, thermal protection systems, acoustic treatments, and structural components. The use of non-intrusive and optical diagnostic methods in such experimentation is pivotal in developing the visualization and empirical data necessary to advance the aforementioned technology areas.

Shockwave/Boundary-Layer Interactions↗
NASA NTRS2013

Dynamics and Control of a Disordered System in Space

In this paper, we present some ideas regarding the modeling, dynamics and control aspects of granular spacecraft. Granular spacecraft are complex multibody systems composed of a spatially disordered distribution of a large number of elements, for instance a cloud of N grains in orbit, with N greater than 10(exp 3). These grains can be large (Cubesat-size) or small (mm-size), and can be active, i.e., a fully equipped vehicle capable sensing their own position and attitude, and enabled with propulsion means, or entirely passive. The ultimate objective would be to study the behavior of the single grains and of large ensembles of grains in orbit and to identify ways to guide and control the shape of a cloud composed of these grains so that it can perform a useful function in space, for instance, as an element of an optical imaging system for astrophysical applications. This concept, in which the aperture does not need to be continuous and monolithic, would increase the aperture size several times compared to large NASA observatories such as ATLAST, allowing for a true Terrestrial Planet Imager that would be able to resolve exo-planet details and do meaningful spectroscopy on distant world. In the paper, we address the modeling and autonomous operation of a distributed assembly (the cloud) of large numbers of highly miniaturized space-borne elements (the grains). A multi-scale, multi-physics model is proposed of the dynamics of the cloud in orbit, as well as a control law for cloud shape maintenance, and preliminary simulation studies yield an estimate of the computational effort, indicating a scale factor of approximately N(exp 1.4) as a function of the number of grains. A granular spacecraft can be defined as a collection of a large number of space-borne elements (in the 1000s) designed and controlled such that a desirable collective behavior emerges, either from the interactions among neighboring grains, and/or between the grains and the environment. In this paper, each grain is considered to be a highly miniaturized spacecraft which has limited size and mass, hence it has limited actuation, limited propulsive capability, limited power, limited sensing, limited communication, limited computational resources, limited range of motion, limited lifetime, and may be expendable. The modeling and dynamics of clouds of vehicles is more challenging than with conventional vehicles because we are faced with a probabilistic vehicle composed of a large number of physically disconnected vehicles. First, different scales of motion occur simultaneously in a cloud: translations and rotations of the cloud as a whole (macro-dynamics), relative rotation and translation of one cloud member with respect to another (meso-dynamics), and individual cloud member dynamics (micro-dynamics). Second, the control design needs to be tolerant of the system complexity, of the system architecture (centralized vs. decentralized large scale system control) as well as robust to un-modeled dynamics and noise sources. Figure 1, top left, shows the kinematic parameters of a 1000 element cloud in orbit. The motion of the system is described with respect to a local vertical-local horizontal (LV-LH) orbiting reference frame (x,y,z)=F(sub ORF) of origin O(sub ORF) which rotates with mean motion omega and orbital semi-major axis R(sub 0). The orbital geometry at the initial time is defined in terms of its six orbital elements, and the orbital dynamics equation for point O(sub ORF) is propagated forward in time under the influence of the gravitational field of the primary and other external perturbations, described below. The origin of this frame coincides with the initial position of the center of mass of the system, and the coordinate axes are z along the local vertical, x toward the flight direction, and y in the orbit normal direction. The assumptions we used to model the dynamics are as follows: 1) The inertial frame is fixed at Earth's center. 2) The orbiting Frame ORF follows Keplerian orbit. 3) the cloud system dynamics is referred to ORF. 4) the attitude of each grain uses the principal body frame as body fixed frame. 5) the atmosphere is assumed to be rigidly rotating with the Earth. Regarding the grains forming the cloud: 1) each grain is modeled as a rigid body; 2) a simple attitude estimator provides attitude estimates, 3) a simple guidance logic commands the position and attitude of each grain, 4) a simple local feedback controller based on PD control of local states is used to stabilize the attitude of the vehicle. Regarding the cloud: 1) the cloud as a whole is modeled as an equivalent rigid body in orbit, and 2) an associated graph establishes agent connectivity and enables coupling between modes of motion at the micro and macro scales; 3) a simple guidance and estimation logic is modeled to estimate and command the attitude of this equivalent rigid body; 4) a cloud shape maintenance controller is based on the dynamics of a stable virtual truss in the orbiting frame. Regarding the environmental perturbations acting on the cloud: 1) a non-spherical gravity field including JO (Earth's spherical field) zonal component, J2 (Earth's oblateness) and J3 zonal components is implemented; 2) atmospheric drag is modeled with an exponential model; 3) solar pressure is modeled assuming the Sun is inertially fixed; and 4) the Earth's magnetic field is model using an equivalent dipole model. The equations of motion are written in a referential system with respect to the origin of the orbiting frame and the state is propagated forward in time using an incremental predictor-corrector scheme. A representative cloud with varying number of grains is simulated to identify the limitations in computation time as the number of grains grows. We derive a control law to track a desired surface in the ORF (equivalently to maintain a reference cloud shape) by defining an error from a desired surface shape, and designing a control law that is exponentially stable and reduces the tracking error to zero. Figure 1 (top right) shows a comparison of various requirements for simulation of single spacecraft vs. granular spacecraft, indicating the high degree of complexity that needs to be taken into consideration. The ORF components of control force required by one of the grains is, for this particular case, in the micro-Newton range. However, no attempt has been made yet to reconfigure (or re-orient) the cloud configuration internally, for which forces in the milli-Newton level are expected, depending on the time required to do the reconfiguration. Figure 1, bottom, shows the computation time as a function of the number of grains, indicating an order N(exp 1.43) scaling on a 8 Gb, 1067 MHz RAM MacOSX computer with a 3.06 GHz Intel Core 2 Duo processor. With this metric, the same simulation for a system of N=1000 grains would take 5.4 hours, and 146 hours (i.e., 6 days) for a system with N=10,000 grains. Therefore, efficient ways to simulate this complex system, where not only the time scales of natural system dynamics, but also the sampling times of the Guidance, Navigation, and Control are included, remain to be explored. Additional details on the cloud modeling, dynamics, and control will be described in the paper.

simulation↗
DOE OSTI2025

Development of an ERT‐Based Framework for Bentonite Buffers Monitoring From Laboratory Tests: 1. Characterizing Thermal–Hydrological–Mechanical Processes

Abstract Bentonite clay is widely used in engineered barrier systems for the permanent disposal of high‐level radioactive waste due to its low permeability, high swelling capacity, and thermal stability. However, the complex thermal‐hydrological‐mechanical (THM) processes induced by heating from decaying radioactive waste and hydration from surrounding rock can lead to heterogeneous changes that are difficult to measure and predict. This study develops an Electrical Resistivity Tomography (ERT)‐based framework for monitoring THM processes, progressing from sample‐scale to bench‐scale tests, to inform field‐scale applications. Sample‐scale tests analyzed small bentonite samples under controlled variations in water content, temperature, and porosity to establish fundamental resistivity relationships. Bench‐scale tests involved larger bentonite columns subjected to heating (up to 200°C) and hydration under controlled pressure, simulating repository conditions. ERT measurements, complemented by X‐ray CT imaging, temperature monitoring, and tracing sensors, revealed coupled THM processes, such as hydration‐induced compression, swelling, and thermal gradients, leading to complex resistivity patterns. The results demonstrate the potential of ERT for capturing THM‐induced resistivity changes, though challenges remain in upscaling and quantitative analysis. This study evaluates laboratory test capabilities and proposes future improvements for understanding THM‐induced resistivity responses. A conceptual framework for ERT implementation in field‐scale monitoring is presented, synthesizing findings from both scales and exploring how ERT data can inform long‐term modeling and reduce prediction uncertainties. Overall, this ERT‐based framework offers a robust method for monitoring bentonite buffers, aiding in early issue detection and supporting the safe long‐term disposal of radioactive waste in geological repositories, while highlighting the need for future development. Plain Language Summary Bentonite clay is crucial in engineered barrier systems (EBS) for containing high‐level radioactive waste due to its ability to absorb water, swell, seal and remain stable under high temperatures. When bentonite absorbs water and heats up from radioactive decay, it experiences complex changes in its physical and mechanical properties. Understanding these changes is important for ensuring the long‐term safety and effectiveness of EBS. This study used Electrical Resistivity Tomography (ERT), a non‐invasive method that measures electrical conductivity to monitor these changes during laboratory experiments. The ERT data revealed significant variations in resistivity corresponding to changes in water content, temperature, and density, providing detailed spatial and temporal insights into the behavior of bentonite. These findings enhance our ability to predict the long‐term performance of bentonite barriers, ensuring the safe containment of radioactive waste. By improving our understanding of bentonite's behavior, this research supports the development of more reliable and effective barrier systems for radioactive waste disposal, protecting the environment and public health. Key Points ERT monitoring was employed to capture resistivity changes in bentonite during controlled heating and hydration experiments, providing insights into THM processes ERT data reveal significant resistivity changes correlated with water content, temperature, and mechanical effects, enhancing the understanding of THM dynamics in bentonite This study explores the potential of the framework for application in field‐scale EBS monitoring, emphasizing the need for integrating additional geophysical methods for comprehensive subsurface imaging

Chen, Hang↗
NASA NTRS2014

Comparitive Study of High-Order Positivity-Preserving WENO Schemes

In gas dynamics and magnetohydrodynamics flows, physically, the density ρ and the pressure p should both be positive. In a standard conservative numerical scheme, however, the computed internal energy is The ideas of Zhang & Shu (2012) and Hu et al. (2012) precisely address the aforementioned issue. Zhang & Shu constructed a new conservative positivity-preserving procedure to preserve positive density and pressure for high-order Weighted Essentially Non-Oscillatory (WENO) schemes by the Lax-Friedrichs flux (WENO/LLF). In general, WENO/LLF is obtained by subtracting the kinetic energy from the total energy, resulting in a computed p that may be negative. Examples are problems in which the dominant energy is kinetic. Negative ρ may often emerge in computing blast waves. In such situations the computed eigenvalues of the Jacobian will become imaginary. Consequently, the initial value problem for the linearized system will be ill posed. This explains why failure of preserving positivity of density or pressure may cause blow-ups of the numerical algorithm. The adhoc methods in numerical strategy which modify the computed negative density and/or the computed negative pressure to be positive are neither a conservative cure nor a stable solution. Conservative positivity-preserving schemes are more appropriate for such flow problems. too dissipative for flows such as turbulence with strong shocks computed in direct numerical simulations (DNS) and large eddy simulations (LES). The new conservative positivity-preserving procedure proposed in Hu et al. (2012) can be used with any high-order shock-capturing scheme, including high-order WENO schemes using the Roe's flux (WENO/Roe). The goal of this study is to compare the results obtained by non-positivity-preserving methods with the recently developed positivity-preserving schemes for representative test cases. In particular the more di cult 3D Noh and Sedov problems are considered. These test cases are chosen because of the negative pressure/density most often exhibited by standard high-order shock-capturing schemes. The simulation of a hypersonic nonequilibrium viscous shock tube that is related to the NASA Electric Arc Shock Tube (EAST) is also included. EAST is a high-temperature and high Mach number viscous nonequilibrium ow consisting of 13 species. In addition, as most common shock-capturing schemes have been developed for problems without source terms, when applied to problems with nonlinear and/or sti source terms these methods can result in spurious solutions, even when solving a conservative system of equations with a conservative scheme. This kind of behavior can be observed even for a scalar case as well as for the case consisting of two species and one reaction.. This EAST example indicated that standard high-order shock-capturing methods exhibit instability of density/pressure in addition to grid-dependent discontinuity locations with insufficient grid points. The evaluation of these test cases is based on the stability of the numerical schemes together with the accuracy of the obtained solutions.

Schemes↗