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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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At least 181 records · Page 10
All sourcesNASA NTRSDOE OSTI
DOE OSTI2023

Static and Fatigue Characterization of Large Composite T-Bolt Connections in Marine Hygrothermal Environments

Fiber-reinforced polymer composites have been highlighted as ideal candidates for structural applications in marine renewable energy devices, such as tidal turbines and wave energy converters. It is well understood that harsh marine environments can cause strength degradation of composite laminates, which has been extensively researched at the coupon scale; however, no research has investigated how this translates into larger-scale composite structures. This paper presents a subcomponent-scale study which investigates the effects of hygrothermal aging and subsequent static and fatigue characterization of thick composite T-bolt connections as part of a large, multilaboratory materials research effort. Of the glass-reinforced epoxy and vinylester-epoxy matrix composites tested, both showed measurable static strength degradation (4–36%) after being hygrothermally aged, even though the composite specimens were only partially saturated with water. Under tension–tension fatigue loading, the epoxy specimens performed very well in their dry states but exhibited significant degradation after hygrothermal aging. In comparison, the vinylester-epoxy specimens had much shorter fatigue lives in their dry states but exhibited no degradation after hygrothermal aging. Overall, this research demonstrates that hygrothermal aging can have significant effects on the ultimate strengths and fatigue lives of even partially saturated thick composite T-bolt connections, indicating that degradation of the outer plies on thick composite laminates can have pronounced effects on the whole structure. It discusses the challenges of building an understanding of the effects of harsh marine environments in large-scale composite structures.

16 TIDAL AND WAVE POWER↗
DOE OSTI2022

Comparison of Microbial Profiling and Tracer Testing for the Characterization of Injector-Producer Interwell Connectivities

Insufficient understanding of the microbial communities and associated microbial processes in geological reservoirs hinders the utilization of this rich data source for improved resource management. In this study, along with four interwell tracer tests at a 1478-m deep fractured crystalline-rock aquifer, we analyzed the microbial communities in the injected and produced water by high-throughput sequencing. The microbial community similarities across boreholes during an interwell flow scenario frequently encountered in reservoir development was explored. Despite the significant tracer recoveries (~30%) in all tracer tests and the cumulatively >100,000 L of exogenous water (carrying exogenous microbes) injected into the 10-m-scale reservoir, the overall structure of produced-fluid microbiome did not increasingly resemble that of the injectate. However, producers with better connectivity with the injector (based on tracer test results) did have more amplicon sequence variants (ASVs) that overlapped with those in the injectate. We identified possible drivers behind our observations and verified the practicality of repeated microbial sampling in the context of reservoir characterization and long-term monitoring. We highlight that injector-producer microbial profiling could provide insights on the relative connectivities across different producers with a given injector, and that the associated logistical needs may be comparable or even less than that of classic tracer tests.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2022

Real-Sim Interface: Enabling Multi-resolution Simulation and X-in-the-Loop Development for Connected and Automated Vehicles

We report connected and automated vehicles (CAVs) can bring safety, mobility, and energy benefits to transportation systems. Ideally, CAV applications would be fully evaluated and validated prior to real-world implementation. However, many technical challenges in both software and hardware hinder the process. To comprehensively evaluate all aspects of CAV applications, an integrated evaluation environment is needed with various simulation tools from different domains. In the current literature, there lacks a well-developed interface to enable multi-resolution simulation of vehicle, traffic, virtual environment, and hardware-in-the-loop (HIL) simulation. In this work, a modular and flexible interface is developed to enable multi-resolution vehicle and traffic co-simulation for CAV applications. This interface is built upon Oak Ridge National Laboratory’s (ORNL’s) Real-Sim approach, can support various simulation tools and real-time X-in-the-loop (XIL) simulations, and is based on network communication protocols. The network communication delays are analyzed for simultaneous connection of up to 20 simulators. Then, two example applications are studied to demonstrate the potential usage of the Real-Sim interface: (1) a centralized merging scenario where the dynamics of two ego vehicles are emulated with detailed vehicle and powertrain dynamics models and (2) a signal-controller-in-the-loop (SCIL) evaluation where one intersection of the simulated traffic scenario is controlled by a physical signal controller. This Real-Sim interface is a tool that allows researchers to bring real, tangible hardware and software into simulated environments to comprehensively evaluate and support a wide variety of CAV applications.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2023

Densely Connected G-invariant Deep Neural Networks with Signed Permutation Representations

We introduce and investigate, for finite groups G, G-invariant deep neural network (GDNN) architectures with ReLU activation that are densely connected- i.e., include all possible skip connections. In contrast to other G-invariant architectures in the literature, the preactivations of theG-DNNs presented here are able to transform by signed permutation representations (signed perm-reps) of G. Moreover, the individual layers of the G-DNNs are not required to be G-equivariant; instead, the preactivations are constrained to be G-equivariant functions of the network input in a way that couples weights across all layers. The result is a richer family of G-invariant architectures never seen previously. We derive an efficient implementation of G-DNNs after a reparameterization of weights, as well as necessary and sufficient conditions for an architecture to be "admissible"- i.e., nondegenerate and inequivalent to smaller architectures. We include code that allows a user to build a G-DNN interactively layer-by-layer, with the final architecture guaranteed to be admissible. We show that there are far more admissible G-DNN architectures than those accessible with the "concatenated ReLU" activation function from the literature. Finally, we apply G-DNNs to two example problems--(1) multiplication in --1, 1} (with theoretical guarantees) and (2) 3D object classification--finding that the inclusion of signed perm-reps significantly boosts predictive performance compared to baselines with only ordinary (i.e., unsigned) perm-reps.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2024

Stable and high voltage and power output of CEA-MFCs internally connected in series (iCiS-MFC)

The voltage output of a single MFC is normally less than 0.8 V, often less than 0.3 V at maximum power output, which greatly limits the application of MFCs. When MFCs are scaled up, however, increasing reactor size has typically resulted in decreased power density. In this study, we developed a novel MFC configuration that contains multiple cloth electrode assemblies in which the MFCs were internally connected in series (iCiS-MFC). The iCiS-MFC, equivalent to 3 CEA-MFCs, produced a high voltage output over 1.8 V and a maximum power density of 3.5 W m -2 using carbon cloth cathodes containing activated carbon as the catalyst. This power density is 6% higher than that reported for a similar smaller CEA-MFC, indicating that power can be maintained during scale-up with a greater than 33-fold increase in total cathode surface area and greater than 20-fold increase in reactor volume. High stability was also demonstrated based on the performance of the iCiS-MFC over a period of one year of operation. The high power and stability is likely due, in part, to a more efficient means of current collection through the internal series connection, which also avoids the use of expensive current collectors. These results clearly demonstrate the great potential of this MFC design for further scaling-up.

25 ENERGY STORAGE↗
DOE OSTI2023

Winter connectivity and leapfrog migration in a migratory passerine

Abstract Technological advances in migratory tracking tools have revealed a remarkable diversity in migratory patterns. One such pattern is leapfrog migration, where individuals that breed further north migrate to locations further south. Here, we analyzed migration patterns in the Painted Bunting ( Passerina ciris ) using a genetic‐based approach. We started by mapping patterns of genetic variation across geographic space (called a genoscape) using 386 individuals from 25 populations across the breeding range. We then genotyped an additional 230 samples from 31 migration stopover locations and 178 samples from 16 wintering locations to map patterns of migratory connectivity. Our analyses of genetic variation across the breeding range show the existence of four genetically distinct groups within the species: Eastern, Southwestern, Louisiana, and Central groups. Subsequent assignment of migrating and wintering birds to genetic groups illustrated that birds from the Central group migrated during the fall via western Mexico or southern Texas, spent the winter from northeastern Mexico to Panama, and migrated north via the Gulf Coast of Mexico. While Louisiana birds overlapped with Central birds on their spring migratory routes along the Gulf Coast, we found that Louisiana birds had a more restricted wintering distribution in the Yucatan Peninsula and Central America. Further estimation of the straight‐line distance from the predicted breeding location to the wintering location revealed that individuals sampled at lower winter latitudes traveled to greater distances (i.e., the predicted breeding area was further north; p > .001), confirming that these species exhibit a leapfrog migration pattern. Overall, these results demonstrate the utility of a genoscape‐based approach for identifying range‐wide patterns of migratory connectivity such as leapfrog migration with a high degree of clarity.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2024

Advancing an integrated understanding of land–ocean connections in shaping the marine ecosystems of coastal temperate rainforest ecoregions

Land and ocean ecosystems are strongly connected and mutually interactive. As climate changes and other anthropogenic stressors intensify, the complex pathways that link these systems will strengthen or weaken in ways that are currently beyond reliable prediction. In this review we offer a framework of land–ocean couplings and their role in shaping marine ecosystems in coastal temperate rainforest (CTR) ecoregions, where high freshwater and materials flux result in particularly strong land–ocean connections. Using the largest contiguous expanse of CTR on Earth—the Northeast Pacific CTR (NPCTR)—as a case study, we integrate current understanding of the spatial and temporal scales of interacting processes across the land–ocean continuum, and examine how these processes structure and are defining features of marine ecosystems from nearshore to offshore domains. We look ahead to the potential effects of climate and other anthropogenic changes on the coupled land–ocean meta-ecosystem. Finally, we review key data gaps and provide research recommendations for an integrated, transdisciplinary approach with the intent to guide future evaluations of and management recommendations for ongoing impacts to marine ecosystems of the NPCTR and other CTRs globally. In the light of extreme events including heatwaves, fire, and flooding, which are occurring almost annually, this integrative agenda is not only necessary but urgent.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2020

Effect of network connectivity on the mechanical and transport properties of block copolymer gels

Establishing the independent tunability of transport and mechanical properties in polymer gels would significantly contribute to their implementation as transdermal drug delivery media, among other things. The work conducted herein uses facile changes in the formulation of physically crosslinked styrenic ABA/AB block copolymer organogels to alter their mechanical properties independently from the mass transport of an internally-loaded nanocarrier. Therefore, such independent tunability is made possible by altering the relative amounts of ABA triblock and AB diblock copolymers while holding total copolymer concentration fixed. Specifically, three series of gels each with a fixed total copolymer concentration (10, 20, or 30 wt%) comprised of varying triblock copolymer concentration are studied. Small angle x-ray scattering confirms that, at the nanoscale, only gel network connectivity changes within each series, while mechanical and release experiments show that increasing network connectivity leads to significant growth of gel moduli, but little change in nanocarrier release rate.

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

Myna: Connecting powder bed fusion build data to simulation tools for digital twin applications

Additive manufacturing (AM), as a digital process, can generate a detailed digital thread linking a part’s design and manufacturing to its operational performance. As AM systems advance, an increasing amount of process data is stored in manufacturing databases. In principle, this data can be utilized by simulation-based digital twin approaches, such as real-time process control and asynchronous post-processing guidance. However, few tools currently exist for systematically integrating digital thread data with computational tools. Here, in this study, we propose a software package, called Myna, for connecting data from powder bed fusion processes to simulation tools. The utility of such a platform is demonstrated using build data from the Oak Ridge National Laboratory Manufacturing Demonstration Facility “Peregrine v2023-10” public dataset to automatically configure and run 54 semi-analytical 3DThesis melt pool simulations, 78 numerical Additive FOAM melt pool simulations, and 3 ExaCA microstructure simulations. The simulated, spatially registered microstructures are then compared directly with electron backscatter diffraction characterization of the corresponding as-built part locations. The resulting simulated microstructure showed variation as a function of process parameters, particularly stripe width; however, the experimental data had little variation between the microstructure texture and grain size resulting from different processing conditions. Analysis of the discrepancies suggest that it is possible a two-phase ferritic-austenitic solidification model is needed to accurately predict grain size and texture for certain stainless steel 316L feedstock compositions under powder bed fusion conditions, providing direction for future research. As illustrated here, due to the number and complexity of the simulations involved in AM process-structure–property predictions, automated methods to connect process data and simulations will remain necessary tools for testing hypotheses and implementing digital twin applications.

Knapp, Gerald L. [Oak Ridge National Laboratory (O↗
DOE OSTI2021

Shared automated vehicle fleet operations for first-mile last-mile transit connections with dynamic pooling

Shared automated vehicles (SAVs) have the potential to promote transit ridership by providing efficient first-mile last-mile (FMLM) connections through reduced operational costs to fleet providers and lower out-of-pocket costs to riders. To help plan for a future of integrated mobility, this paper investigates the impacts of SAVs serving FMLM connections, as a mode that provides flexibility in access/egress decisions and is well coordinated with train station schedules. To achieve this objective, a novel dynamic pooling algorithm was introduced to match SAVs with riders while coordinating the riders' arrival times at the light-rail station to a known train schedule. Microsimulations of SAVs and travelers throughout two central Austin neighborhoods show how larger service areas, higher levels of SAV demand, and longer arrival times between successive trains require larger SAV fleet sizes and higher SAV utilization rates to deliver close traveler wait times. Four-person SAVs appear to perform similar to 6-seat SAVs but will cost less to provide. Using a dynamic pooling algorithm tightly coordinated with train arrivals (every 15 min) delivers 87% of travelers to their stations in time to catch the next train, whereas uncoordinated assignments deliver just 58% of travelers in time.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2020

Solving the auroral-arc-generator question by using an electron beam to unambiguously connect critical magnetospheric measurements to auroral images

Here, an active mapping mission is described that unambiguously connects measurements in the Earth's magnetosphere to visible aurora in the atmosphere. The core of the mission is an electron-beam source operated on a spacecraft in the equatorial magnetosphere, with the electron beam traveling along the Earth's magnetic-field lines to the atmosphere, depositing its energy to create an optical beam-spot in the atmosphere at the footpoint of the spacecraft's magnetic-field line. This optical spot can be imaged by ground-based cameras, putting the location of the spacecraft's magnetic footpoint into the context of the optical aurora. Scientific instruments carried on the spacecraft make critical measurements of the properties of the magnetosphere at the locations where the magnetosphere powers the aurora, allowing the determination of the plasma-physics mechanisms by which the magnetosphere drives the aurora, in particular answering the outstanding question of how the magnetosphere drives low-latitude auroral arcs. Long-standing questions in magnetosphere-ionosphere coupling that have not been answered because we could not unambiguously connect locations in the magnetosphere with their image in the ionosphere will finally be addressed. In this paper the properties of a “standard” growth-phase auroral arc are collected, theories of the magnetospheric generation of auroral arcs are reviewed, and critical magnetospheric measurements to discern the mechanisms that drive auroral arcs are determined. Further, the plasma physics of the experiment is investigated, including spacecraft-charging mitigation, beam stability, beam scattering, and electron orbit theory. Tradeoffs (keV versus MeV) concerning the energy of the electron beam are enumerated.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2025

Revisiting the connection of baryon number, lepton number, and operator dimension

The effects of heavy new particles beyond the Standard Model can be conveniently captured through higher-dimensional effective operators. As noted long ago by Weinberg, the amount of baryon and lepton number an operator can carry is intricately connected to its mass dimension. We derive an improved inequality for this connection and compare it to explicit operator constructions up to mass dimension 25. For the effective field theory of Standard Model plus right-handed neutrinos, our relationship is even an equality up to high mass dimension.

Baryon number violation↗
DOE OSTI2025

Bounce-averaged theory in arbitrary multi-well plasmas: solution domains and the graph structure of their connections

Bounce-averaged theories provide a framework for simulating relatively slow processes, such as collisional transport and quasilinear diffusion, by averaging these processes over the fast periodic motions of a particle on a closed orbit. This procedure dramatically increases the characteristic time scale and reduces the dimensionality of the modelled system. The natural coordinates for such calculations are the constants of motion (COM) of the fast particle motion, which by definition do not change during an orbit. However, for sufficiently complicated fields – particularly in the presence of local maxima of the electric potential and magnetic field – the COM are not sufficient to specify the particle trajectory. In such cases, multiple domains in COM space must be used to solve the problem, with boundary conditions enforced between the domains to ensure continuity and particle conservation. Previously, these domains have been imposed by hand, or by recognising local maxima in the fields, limiting the flexibility of bounce-averaged simulations. Here, we present a general set of conditions for identifying consistent domains and the boundary condition connections between the domains, allowing the application of bounce-averaged theories in arbitrarily complicated and dynamically evolving electromagnetic field geometries. We also show how the connections between the domains can be represented by a directed graph, which can help to succinctly represent the trajectory bifurcation structure.

fusion plasma↗
DOE OSTI2020

Exploring the Effects of Node Topology, Connectivity, and Metal Identity on the Binding of Nerve Agents and Their Hydrolysis Products in Metal–Organic Frameworks

Recent studies have shown that metal–organic frameworks (MOFs) built from hexanuclear M(IV) oxide cluster nodes are effective catalysts for nerve agent hydrolysis, where the properties of the active sites on the nodes can strongly influence the reaction energetics. The connectivity and metal identity of these M6 nodes can be easily tuned, offering extensive opportunities for computational screening to predict promising new materials. Thus, we used density functional theory (DFT) to examine the effects of node topology, connectivity, and metal identity on the binding energies of multiple nerve agents and their corresponding hydrolysis products. By computing an optimization metric based on the relative binding strengths of key hydrolysis reaction species (water, agent, and bidentate-bound products), we predicted optimal M6 nodes for hydrolyzing specific nerve agent and simulant molecules, where our results are in qualitative agreement with observed experimental trends. This analysis highlighted the notion that no single metal or node topology is optimal for all possible organophosphates, suggesting that MOFs should be selected based on the agent of interest. Using the large amount of data generated from our DFT calculations, we then derived quantitative structure–activity relationship (QSAR) models to help explain the complex trends observed in the binding energies. Through linear regression, we identified the most important descriptors for describing the binding of nerve agents and their hydrolysis products to M6 nodes. These results suggested that both molecular and node properties, including both structural and chemical features, collectively contribute to the binding energetics. By performing a thorough statistical analysis, we showed that our QSAR models are capable of making quantitatively accurate binding energy predictions for nerve agents and their hydrolysis products in a wide variety of M(IV)-MOFs. In conclusion, the insights gained herein can be used to guide future experiments for the synthesis of MOFs with enhanced catalytic activity for organophosphate hydrolysis.

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

Effect of Building Block Connectivity and Ion Solvation on Electrochemical Stability and Ionic Conductivity in Novel Fluoroether Electrolytes

Novel electrolytes are required for the commercialization of batteries with high energy densities such as lithium metal batteries. Recently, fluoroether solvents have become promising electrolyte candidates because they yield appreciable ionic conductivities, high oxidative stability, and enable high Coulombic efficiencies for lithium metal cycling. However, reported fluoroether electrolytes have similar molecular structures, and the influence of ion solvation in modifying electrolyte properties has not been elucidated. In this work, we synthesize a group of fluoroether compounds with reversed building block connectivity where ether moieties are sandwiched by fluorinated end groups. These compounds can support ionic conductivities as high as 1.3 mS/cm (30 °C, 1 M salt concentration). Remarkably, we report that the oxidative stability of these electrolytes increases with decreasing fluorine content, a phenomenon not observed in other fluoroethers. Using Raman and other spectroscopic techniques, we show that lithium ion solvation is controlled by fluoroether molecular structure, and the oxidative stability correlates with the “free solvent” fraction. Finally, we show that these electrolytes can be cycled repeatedly with lithium metal and other battery chemistries. Understanding the impact of building block connectivity and ionic solvation structure on electrochemical phenomena will facilitate the development of novel electrolytes for next-generation batteries.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Atomic Structural Features of Stacking Faults and Domain Connections in the Li- and Mn-Rich Cathode

Li- and Mn-rich layered oxides (LMRs), a class of earth-abundant materials for rechargeable Li-ion battery cathodes, crystallize into layered structures of two different symmetries: C2/m represented by Li 2 MnO 3 and R$\overline{3}$m represented by LiMn 0.5 Ni 0.5 O 2 . Fundamental questions about how the C2/m and R$\overline{3}$m domains spatially correlate within the same oxide grain and how the C2/m stacking faults arrange themselves when this happens still remain. Here, by using integrated differential phase contrast imaging in scanning transmission electron microscopy (STEM-iDPC), we probe the structural and compositional details of a prototypical, cobalt-free LMR material, 0.3Li 2 MnO 3 •0.7LiMn 0.5 Ni 0.5 O 2 (Li 1.13 Mn 0.57 Ni 0.3 O 2 ). The connection between the C2/m and R$\overline{3}$m domains is found to be abrupt, facilitated by the small lattice mismatch between the two structures. Stacking faults in the C2/m domains feature atomic plane shifting that accommodates stacking sequence changes, which explains why the stacking faults form in a random manner. Furthermore, a local disordering mechanism was identified to correlate with the C2/m stacking faults. Chemically, it is found that Ni coexists with Mn at the transition metal sites within the nominal Li 2 MnO 3 domain. As a result, this study demonstrates that STEM-iDPC is a very useful tool for capturing all the elements in a single image, revealing atomic details on domain connections and stacking faults in the LMRs.

Li-rich and Mn-rich oxides↗
DOE OSTI2022

Tuning Metal–Organic Framework (MOF) Topology by Regulating Ligand and Secondary Building Unit (SBU) Geometry: Structures Built on 8-Connected M 6 (M = Zr, Y) Clusters and a Flexible Tetracarboxylate for Propane-Selective Propane/Propylene Separation

Topology evolution originating from variations of linker and SBU (Secondary Building Unit) geometries could largely enrich the chemistry of metal–organic frameworks (MOFs). Here we report the synthesis and characterization of three MOF structures built on the same organic linker, N,N,N',N'-Tetrakis(4-carboxyphenyl)-1,4-phenylenediamine (tcppda) and similar 8-connected M 6 (M = Zr or Y) clusters. The three compounds, HIAM-402, HIAM-403, and HIAM-311, feature 4,8-connected sqc, scu, and flu topology, respectively. Detailed structural analysis revealed that different geometries of the inorganic M 6 SBUs as well as the organic linker have led to the formation of distinct MOF nets. In particular, HIAM-402 features exceptional framework stability and high porosity and acts as a propane-selective adsorbent for the discrimination of propane and propylene. Its balanced adsorption selectivity (S propane/propylene = 1.43) and capacity (Q propane = 133.3 cm 3 /g, 298 K and 1 bar) endow it with the capability of separating propane and propylene mixtures and one-step production of highly pure propylene (purity >99.9%), as validated by column breakthrough measurements, with the presence of moisture or propyne. As a result, ab initio calculations further confirm that the propane-selective behavior of HIAM-402 is a result of its higher binding energy toward propane compared to that of propylene.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2024

Mountainous Floodplain Connectivity in Response to Hydrological Transitions

In mountainous watersheds, floodplain sediments are typically characterized by gravel bed layers capped by an overlying soil unit that serves as a hotspot for biogeochemical reactivity. However, the influence of soil biogeochemistry on gravel bed underflow composition remains unclear, especially during hydrological transitions that alter the vertical connectivity between overlaying soils and the underlying gravel bed. This study investigates these dynamics by measuring hydraulic gradients and water compositions over three hydrological years in a typical mountainous, low-order stream floodplain in the Upper Colorado River Basin. Results indicate that the timing of hydrological conditions strongly influences the vertical exchanges that control water quality. Specifically, during flooding events such as beaver ponding, that induce downward flushing of the soil, anoxic conditions prevalent in the biogeochemically active soil are transferred downstream via gravel bed underflow. Conversely, snowmelt and drought conditions increase oxic conditions in the gravel bed due to diminished hydrological connectivity with the overlying soil. To compare water quality response to hydrological transitions across similar floodplain environments, we propose a conceptual model that quantifies the inundation-induced flushing of soil porewater to measure solute exchange efficiency with the gravel bed solute convergence efficiency (SCE). This model provides a framework for quantifying biogeochemical processes in hydrological underflow systems, which is critical for water and elemental budgets in these globally important mountainous ecosystems.

58 GEOSCIENCES↗