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

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At least 19 records

Bayesian chain graph models to characterize microbe-environment dynamics

Microbiome data require statistical models that can simultaneously decode microbes' reaction to the environment and interactions among microbes. While a multiresponse linear regression model seems like a straight-forward solution, we argue that treating it as a graphical model is problematic given that the regression coefficient matrix does not encode the conditional dependence structure between response and predictor nodes. This observation is especially important in biological settings when we have prior knowledge on the edges from specific experimental interventions that can only be properly encoded under a conditional dependence model. Here, we propose a chain graph model with two sets of nodes (predictors and responses) whose solution yields a graph with edges that indeed represent conditional dependence, thus agreeing with the experimenter's intuition on the average behavior of nodes under treatment. The solution to our model is sparse via the Bayesian linear regression (LASSO). In addition, we propose an adaptive extension so that different shrinkages can be applied to different edges to incorporate edge-specific prior knowledge. Our model is computationally inexpensive through an efficient Gibbs sampling algorithm and can account for binary, counting, and compositional responses via an appropriate hierarchical structure. We test the performance of our model in a variety of simulated datasets, thereby showing superior performance to state-of-the-art approaches. We further apply our model to human gut and soil microbial compositional datasets, and we highlight that CG-LASSO can estimate biologically meaningful network structures in the data.

compositional data↗

Exploring Novel Configuration Designs Alternatives for Lazy Wave Submarine Power Cables

Floating offshore wind turbines require a complex integrated design to balance the platform response and station-keeping requirements in a highly dynamic environment. Dynamic subsea power cables are one of the critical components that have to be considered in detail to ensure both extreme, as well as repeated operational conditions do not exceed the cable design limits. This paper presents the design feasibility limits of a 66kV dynamic cable for a lazy wave configuration. The work explores an innovative staggered cable configuration that has the potential to provide additional compliance in shallow water conditions. Both configurations are evaluated using the motions of a representative floating wind platform under development for deployment in relatively shallow water depth of 150m. The assessment was conducted using the hydrodynamic software Orcaflex, incorporating a range of design inputs and design variations. Key parameters analysed include cable curvature and effective tension and bending stress. The alternative cable configuration provides a more gradual crossing of the water column, which would allow to support increased platform excursions in shallow water depths. The design uses a combined buoyancy and bend protection element, offering designers additional options for challenging operational conditions. The paper will be of interest to designers and developers of floating wind projects, providing a comparative assessment between the conventional lazy wave configuration and an innovative alternative that enables larger cable and mooring excursion envelopes in challenging conditions.

16 TIDAL AND WAVE POWER↗

Polarons are probes of the dynamic nanoscale environments found in electrochemically doped π-conjugated polymers

Charge carriers (i.e., polarons) in electrochemically doped organic (semi)conductors are proposed to be regulated by several physicochemical features, including the chemical compositions and structures of the π-conjugated frameworks of the semiconductor building blocks, the chemistry of the electrolyte (considering both the salt and solvent), multiscale and time-dependent morphology variations across the material as a function of electrochemical processes, and assorted permutations of these and other factors. To address these hypotheses, we investigate the energetic, optoelectronic, chemical, and local structural properties of negative polarons (radical anions) as a function of electrochemical doping in the donor–acceptor, π-conjugated redox copolymer P(NDI2OD-T2), also referred to as N2200. A critical finding is that there is not just “one type” of polaron in electrochemically doped P(NDI2OD-T2). Rather, an ensemble of polarons exists, with the polarons having optoelectronic signatures that are defined by their nanoscale environments. Importantly, the polaron optical signatures serve as local probes for how the operando electrochemical environments are dynamically working in concert to facilitate charge transport. Collectively, the distinctive and extensive integration of theory and measurement science presented here establishes a baseline for the roles that semiconductor and electrolyte chemistries and dynamic structural features have on polarons in electrochemically doped organic semiconductors and how these factors influence the energetics and rates of polaron transport.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Unraveling Bacterial Adaptation Strategies in the Microbiome Shaped by the Chemical Environment of the Plant Rhizosphere

The rhizosphere is a dynamic environment where rhizodeposits that include primary and secondary metabolites and mucilage serve as nutrient sources for soil microorganisms, attracting them toward plant roots. However, understanding how these microbes specifically respond to plant root chemical signals has been hindered by the challenges of disentangling physical and chemical interactions between the microbes and plant roots. To address this, we implemented an innovative filter-based experimental setup on plant roots that creates a physical barrier while facilitating the exchange of chemical signals. The proteomic analysis of 10 Populus root-associated bacterial strains grown in the presence or absence of a plant in either individual or mixed community conditions provided detailed insights into the functional responses of these strains to the root chemical environment. Additionally, this approach allowed us to discern the impact of root exudates on overall community dynamics. In particular, metaproteomic analyses revealed that each of these 10 microbial members responds uniquely to the presence of the plant, with Bacillus and Pantoea exhibiting the most dramatic favorable impact. Proteomic examination revealed the details of metabolism fine-tuning, including processes such as chemotaxis and ATP-binding cassette transporter proteins. This study demonstrates the application of a filter-based experimental setup to study microbial responses to plant chemicals and sheds light on adaptation strategies employed by various bacterial strains for survival in the rhizosphere.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Artificial Intelligence Thermostat to Detect Faults

Residential air conditioners and heat pumps often experience faults due to inadequate maintenance, which can severely reduce efficiency or even cause system failure. Common issues include dirty or clogged air filters and refrigerant leaks. These problems degrade performance and increase energy use and operating costs. This study presents a smart thermostat with embedded artificial intelligence to detect such faults and alert homeowners when maintenance is needed. The thermostat uses low-cost measurements—including return-air temperature, relative humidity, supply-air temperature, outdoor-air temperature, and condenser subcooling—to identify abnormal operations. Because different faults produce distinct response patterns, tailored algorithms are developed to recognize characteristic fault signatures. The investigation is built on a detailed co-simulation platform that couples EnergyPlus with the DOE/ORNL Heat Pump Design Model (HPDM). EnergyPlus represents the building’s dynamic environment, while HPDM is a high-fidelity, hardware-based model that can simulate fault-free performance as well as a wide range of faults, including gradual degradation such as minor refrigerant leakage. This platform provides a virtual training and testing environment that helps distinguish fault-induced behavior from normal operation and supports development of robust diagnostic algorithms. Using this framework, a Dynamic Bayesian Network was developed to identify two common faults—gradual refrigerant charge loss and indoor airflow blockage—and the AI-embedded thermostat was verified through annual building simulations.

Shen, Bo [ORNL] (ORCID:0000000336600393)↗

Success Path Method: Introduction to the Success Path Method Software Tool©

As part of its commitment to advancing safety and reliability assessment methodologies, Argonne National Laboratory pioneered the use of an evaluation method called the Success Path Method (SPM) to improve risk management for offshore oil and gas operations. The development of the SPM at Argonne has been driven by the need to improve existing risk assessment methodologies by focusing on the steps necessary for success rather than failure modes alone. This is particularly important for industrial environments like offshore facilities that perform multiple functions under a continuously evolving set of operational conditions – such as water depth and temperature, currents, and weather conditions. In these dynamic environments, the traditional Probabilistic Risk Assessment (PRA) approach is far too complex as it focuses on what can go wrong – which comprises an infinite failure space that must be fully explored and understood. By shifting the focus to a finite space of success paths, the SPM enables operators and decision makers to prioritize a manageable number of steps that must go right to ensure success. Building on its five decades of experience in safety assessments for the nuclear industry, Argonne made major adaptations to existing risk assessment methods utilizing features similar to fault trees that are traditionally used in PRA to map all pathways in which the system can malfunction. In contrast, SPM identifies the components and processes that must function correctly to achieve specific outcomes – such as preventing the uncontrolled release of hydrocarbons during drilling operations. The SPM framework integrates equipment, procedures, software, processes, and human actions to ensure that physical barriers meet critical safety functions in dynamic operational conditions. This approach helps identify failure modes and improve operational risk management by narrowing the focus to key success elements, which in turn reduces uncertainty and helps users understand, manage, and respond to failures.

97 MATHEMATICS AND COMPUTING↗

Rubisco activity and activation state dictate photorespiratory plasticity in Betula papyrifera acclimated to future climate conditions

Plant metabolism faces a challenge of investing enough enzymatic capacity to a pathway without overinvestment. As it takes energy and resources to build, operate, and maintain enzymes, there are benefits and drawbacks to accurately matching capacity to the pathway influx. The relationship between functional capacity and physiological load could be explained through symmorphosis, which would quantitatively match enzymatic capacity to pathway influx. Alternatively, plants could maintain excess enzymatic capacity to manage unpredictable pathway influx. In this study, we use photorespiration as a case study to investigate these two hypotheses in Betula papyrifera. This involves altering photorespiratory influx by manipulating the growth environment, via changes in CO 2 concentration and temperature, to determine how photorespiratory capacity acclimates to environmental treatments. Surprisingly, the results from these measurements indicate that there is no plasticity in photorespiratory capacity in B. papyrifera, and that a fixed capacity is maintained under each growth condition. The fixed capacity is likely due to the existence of reserve capacity in the pathway that manages unpredictable photorespiratory influx in dynamic environments. Additionally, we found that B. papyrifera had a constant net carbon assimilation under each growth condition due to an adjustment of functional rubisco activity driven by changes in activation state. These results provide insight into the acclimation ability and limitations of B. papyrifera to future climate scenarios currently predicted in the next century.

59 BASIC BIOLOGICAL SCIENCES↗

Optical Control of Adaptive Nanoscale Domain Networks

Adaptive networks can sense and adjust to dynamic environments to optimize their performance. Understanding their nanoscale responses to external stimuli is essential for applications in nanodevices and neuromorphic computing. However, it is challenging to image such responses on the nanoscale with crystallographic sensitivity. Here, the evolution of nanodomain networks in (PbTiO 3 ) n /(SrTiO 3 ) n superlattices (SLs) is directly visualized in real space as the system adapts to ultrafast repetitive optical excitations that emulate controlled neural inputs. The adaptive response allows the system to explore a wealth of metastable states that are previously inaccessible. Their reconfiguration and competition are quantitatively measured by scanning x-ray nanodiffraction as a function of the number of applied pulses, in which crystallographic characteristics are quantitatively assessed by assorted diffraction patterns using unsupervised machine-learning methods. The corresponding domain boundaries and their connectivity are drastically altered by light, holding promise for light-programable nanocircuits in analogy to neuroplasticity. Phase-field simulations elucidate that the reconfiguration of the domain networks is a result of the interplay between photocarriers and transient lattice temperature. The demonstrated optical control scheme and the uncovered nanoscopic insights open opportunities for the remote control of adaptive nanoscale domain networks.

36 MATERIALS SCIENCE↗

Regulatory Coordination of Photophysical, Photochemical, and Biochemical Reactions in the Photosynthesis of Land Plants

Balance among the sequential photophysical, photochemical, and biochemical reactions of photosynthesis is needed for converting fleeting energy in light to stable energy in chemical bonds. Any imbalance acts as either a bottleneck for limiting photosynthetic efficiency or an agent for inducing structural and functional damage to photosynthetic apparatus. Not only must each reaction be carefully regulated, but regulatory processes must also be coordinated across the reactions. However, regulations of different stages of photosynthesis have rarely been studied jointly. Non-photochemical quenching (NPQ) and stomatal conductance (g s ) are key regulators of photophysical and biochemical reactions, respectively. Existing evidence suggests that the redox state of plastoquinone regulates g s and that the photochemical reactions are partially regulated by the ultrastructural dynamics of thylakoids induced by osmotic water fluxes in chloroplasts of land plants. To examine how these regulations are coordinated and feedback to each other, we simultaneously measured NPQ and gs and inferred the redox state of plastoquinone and the light-induced thylakoid swelling/shrinking on numerous C 3 and C 4 species. For all species measured, NPQ and gs covary with the redox states of the electron transport chain, particularly plastoquinone, and increase as thylakoid swelling is inferred. NPQ has the maximal sensitivity at the light intensity at which thylakoid is inferred to be fully swollen. Our findings suggest that plant energy and water use strategies are intimately linked by evolution, and studying the regulations of different photosynthetic stages as a whole can lead to new insights of the functioning of photosynthetic machinery in dynamic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Chloroplast Stress Signals: Control of Retrograde Signaling, Chloroplast Turn-Over, and Cell Fate Decisions

Chloroplasts (photosynthetic plastids) are semiautonomous organelles that contain their own small genomes. The proteomes of chloroplasts, however, are a mixture of plastid and nuclear-encoded proteins. Chloroplasts perform photosynthesis, which is prone to damaging the organelles, leading to the production of reactive oxygen species (ROS) that damage the cell under environmental stresses. Thus, for the cell to maintain proper chloroplast function, efficient photosynthesis, and avoid ROS damage, it relies on complex crosstalk between the chloroplast, the nucleus, other organelles within the cell, and the cytoplasm in between. This communication involves retrograde signals from chloroplasts to control nuclear gene expression, programmed cell death (PCD), and chloroplast degradation. Here we review these signals with an emphasis on the roles of the ROS singlet oxygen ( 1 O 2 ) and plastid gene expression. We cover (1) recent work on understanding how multiple 1 O 2 signaling pathways can be initiated within stressed chloroplasts, (2) how individualized post-translational regulatory systems allow chloroplasts to control their proteomes and degradation, and (3) how chloroplast signals ultimately control cell fate decisions, such as PCD, senescence, and vacuole-mediated degradation of chloroplasts (chloroplast quality control). Overall, this chapter discusses how chloroplasts can act as environmental sensors for the cell and allow plants to acclimate to stress and thrive in dynamic environments.

59 BASIC BIOLOGICAL SCIENCES↗

Critical minerals lists for low-carbon transitions: Reviewing their structure, objectives, and limitations

Critical minerals lists have flourished in the past decade, in particular linked to the importance of critical minerals for low-carbon transitions. We identified 27 critical minerals or materials lists across 15 countries and the European Union (EU). These lists are designed to attract public and private attention and investments to secure both domestic and foreign supplies. This review article fills a gap in the existing literature by analyzing the ways in which these lists are defined and utilized by countries engaged in a mineral rush. We focus our attention on three categories of minerals – battery minerals, platinum-group metals (PGMs), and rare earth elements (REEs) that are particularly important to energy transitions. We situate this research in the broader legal and administrative developments that have driven critical minerals policies in the past decade. We provide an in-depth analysis of the commonalities and variations in the raw materials included in these lists, and identify six core limitations of critical minerals lists: (1) unclear links between criticality assessments and mineral prioritization (2) failure to account for the full mineral value-chain; (3) limited strategic alignment between allied nations; (4) limited flexibility in dynamic environments (5) limited consideration for recycling and by-product sourcing; and (6) reliance on incomplete reserve and resource data.

Battery minerals↗

Comparative Dissolution of Iron-Bearing Minerals by Catecholate and Hydroxamate Siderophores under Oxic and Anoxic Conditions

Siderophores play a crucial role in biological iron (Fe) acquisition and mobilization by promoting Fe mineral and rock weathering. While the effects of the hydroxamate siderophore desferrioxamine B (DFOB) have been extensively studied, the role of catecholates in the dissolution of Fe mineral and rock under varying redox conditions remain limited. Moreover, despite Fe being one of the most redox-active metals, the siderophore-mediated redox transformations of solid-phase Fe and their impact on mineral dissolution are not well understood. Herein, this study systematically investigated dissolution behavior of both Fe(II) and Fe(III)-bearing minerals and rocks (Fe(II)- bearing basalt and olivine, and Fe(III)- bearing nontronite and goethite), by two structurally distinct biological siderophores, catecholate protochelin and hydroxamate DFOB, under both oxic and anoxic conditions. Batch experiments quantified Fe and transition metals (Mn, Ni, Zn, Mo) released from the tested minerals in the presence of siderophores. Throughout the dissolution experiments, siderophore concentrations and Fe-siderophore complexation in solutions were measured using UV-vis spectrometry. Fe redox changes under oxic and anoxic conditions by siderophores were determined, and mineral surface alterations following siderophore treatments were characterized through scanning electron microscopy (SEM) and time-of-flight secondary ion mass spectroscopy (ToF-SIMS). Results revealed distinct interplays of dissolution mechanisms, including ligand-exchange promoted dissolution and reductive dissolution, along with Fe(III) reduction and Fe(II) oxidation, contributing to the Fe(II)- and Fe(III)-rich mineral weathering under varying redox conditions. Under oxic conditions, both protochelin and DFOB enhanced Fe release from Fe(II)-rich basalt and olivine more effectively than from Fe(III)-rich minerals. DFOB induced greater Fe(II)-mineral dissolution than protochelin. This difference was attributed to a higher level of Fe(II) oxidation by DFOB in contrast to protochelin, as well as the protochelin oxidation with the loss of Fe binding groups (catechols). Under anoxic conditions, both siderophores significantly reduced Fe(III) in nontronite and goethite, with protochelin demonstrating substantially stronger Fe(III) reduction capacity than DFOB. However, Fe(III) reduction negatively impacted Fe release from Fe(III)-rich minerals. Instead, Fe release from Fe(II)-rich minerals was enhanced under anoxic conditions due to the absence of Fe(II) oxidation and labile Fe(II). Variations in siderophore adsorption also contributed to dissolution differences. Beyond iron, the release of transition metals from tested minerals was influenced by elemental contents, mineral compositions, and siderophore types, revealing distinct metal- and siderophore-dependent patterns. This systematic investigation highlights the roles of siderophores in Fe redox cycling and metal mobilization, enhancing our understanding of different siderophore behaviors in siderophore-mediated microbial metal acquisition within redox-dynamic environments, with implications for bioleaching industries and applications in agriculture and climate change mitigation.

Guo, Dongyi↗

The Use of Microelectrodes in Molten Salt Electrochemistry

Molten salts have attracted considerable interest as essential media for advanced high-temperature technologies, including molten salt reactors, thermal energy storage, high-temperature electrolysis, and pyrochemical processing. Their ability to remain stable in liquid form at elevated temperatures, combined with favorable thermophysical properties and wide electrochemical windows, makes them highly suitable for applications involving heat transfer, energy storage, and hightemperature electrochemical processing. However, despite these advantages, molten salts present challenges due to their chemically reactive nature at high-temperatures, especially in the presence of oxidizing impurities. Salt chemistry can fluctuate through interactions with impurities over time, or fuel burnup in the case of molten salt reactors, often leading to the dissolution of metal species. This dynamic environment not only results in complex redox behavior but also promotes corrosion, which is rarely uniform and frequently manifests as localized degradation driven by structural materials’ compositional differences, electrochemical imbalances, and microstructural susceptibilities.

Kim, Changkyu [University of Wisconsin-Madison, WI↗

Structured liquid-based reconfigurable all-liquid optical fibers

Quartz optical fibers are brittle, difficult to repair, and lack reconfigurability, limiting their adaptability in underwater communication. To overcome these impediments, here we show reconfigurable all-liquid optical fibers (RAOFs) produced by structured liquid, tuned by the interfacial assembly and jamming of nanoparticle surfactants at the water-oil interface (interfacial tension <10 mN m -1 , refractive index contrast of 0.083). These RAOFs combine the structural stability of the interfacial assemblies with the inherent flexibility of liquids. They support real-time communication on an Ethernet platform (up to 1 Gbps), providing a practical alternative to conventional optical fibers for optical interconnects. Their liquid nature enables broken fibers to be repaired rapidly by a coalescence process. Their softness affords on-demand reconfigurability that enables in-situ fabrication of reconfigurable optical fibers and dynamic manipulation of signal transmission. RAOFs provide a versatile, self-healing, and resilient solution for optical communication systems in dynamic environments.

Zhao, Sai [City University of Hong Kong, Kowloon (↗

Charges on a suspended silicon nitride membrane under a high-energy electron beam

Thin silicon nitride (SiN x ) membranes are widely used in gas and liquid phase transmission electron microscopy (TEM) and as phase plates to enhance imaging contrast. SiN x contains trap sites for both positive and negative charges, which can be manipulated by high-energy electron irradiation, external potential biasing, or light exposure. Charge accumulation on the membrane can significantly affect in situ TEM processes, including chemical and electrochemical reactions, nanoparticle dynamics, and catalytic activity, or introduce unwanted phase shifts when used as a phase plate. Here, in this study, charge accumulation on suspended SiN x membranes was investigated using off-axis electron holography combined with model-free charge analysis, supported by custom finite element analysis (FEA) simulations. An average residual positive charge density of approximately 2.8 × 10 −4 C m −2 was measured. Localized and stable regions of both positive and negative charges were identified on the membrane. The global positive and localized positive/negative charges give rise to strong electric fields and electroosmotic slip velocities at the membrane surface, which are sufficient to induce non-Brownian particle behavior and directional fluid flow, offering a physical explanation for previously observed anomalies in particle dynamics, nucleation, and growth during gas and liquid phase TEM experiments. These results provide a benchmark for understanding charge behavior at SiNx interfaces in gas and liquid phase TEM. Furthermore, the FEA simulations establish a framework for future investigations into charge distribution, electrostatic potentials, and electrical double layers at solid–liquid interfaces, particularly in complex geometries and chemically dynamic environments.

Suspended silicon↗