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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 109 records · Page 6

Effects of Intrusive Confining Units on Groundwater Flow at Pahute Mesa, Nevada National Security Site

Geological, geophysical, hydrogeological, and hydrological evidence indicates that feeder dikes to lava flows play a role as confining units in the groundwater flow system underlying the Pahute Mesa area of underground nuclear testing at the Nevada National Security Site (NNSS). Of geological significance, the Pahute Mesa testing area is largely situated within the Silent Canyon caldera, which includes both tuffs and lavas that were fed by (and are connected to) intrusive rock units such as feeder dikes prior to and during volcanic eruptions (Orkild et al., 1968; Byers et al., 1976). Groundwater modeling results presented in this report support extension of “pool-dam” and “breach scenario” concepts presented in Jackson and Fenelon (2018) and Jackson et al. (2021) to low-permeability intrusive confining units (ICUs) such as feeder dikes that are expected to dissect and ring the caldera. As laterally extensive, steeply-dipping, and sub-parallel planar structures, ICUs can be expected to further compartmentalize groundwater flow in the volcanic aquifers systems at Pahute Mesa beyond the stratigraphically-defined tuff confining units (TCUs). ICUs provide an explanation for changes in water levels before and after the Cheshire test, detonated 2/14/76 (USDOE, 2015), and the unusually high horizontal gradient southwest of Cheshire. These ICU concepts are supported by groundwater modeling results presented in this report. The evidence and groundwater modeling results indicate that the downgradient extent of radionuclide contamination in some areas of Pahute Mesa could be overestimated by ignoring the confining effects of ICUs. On the other hand, contaminant extent could be underestimated by not considering transient flow effects and/or the re-equilibrated flow field caused by breaching of an ICU by an underground nuclear test.

54 ENVIRONMENTAL SCIENCES↗

Virus-Like Particles (VLPs) as a Platform for Hierarchical Compartmentalization

Hierarchically self-assembled structures are common in biology, but it is often challenging to design and fabricate synthetic analogs. The archetypal cell is defined by hierarchically organized multicompartmentalized structures with boundaries that delineate the interior from exterior environments and is an inspiration for complex functional materials. Here, we have demonstrated an approach to the design and construction of a nested protein cage system that can additionally incorporate the packing of other functional macromolecules and exhibit some of the features of a minimal synthetic cell-like material. We have demonstrated a strategy for controlled co-packaging of subcompartments, ferritin (Fn) cages, together with active cellobiose-hydrolyzing β-glycosidase enzyme macromolecules, CelB, inside the sequestered volume of the bacteriophage P22 capsid. Using controlled in vitro assembly, we were able to modulate the stoichiometry of Fn cages and CelB encapsulated inside the P22 to control the degree of compartmentalization. The co-encapsulated enzyme CelB showed catalytic activity even when packaged at high total macromolecular concentrations comparable to an intracellular environment. Here, this approach could be used as a model to create synthetic protein-based protocells that can confine smaller functionalized proto-organelles and additional macromolecules to support a range of biochemical reactions.

59 BASIC BIOLOGICAL SCIENCES↗

Employing bacterial microcompartments to create privileged redox pools for biofuel production (Final report: Accomplishments)

Over the award period we made progress on all three objectives. We completed our goal of understanding the impact of cofactor recycling on pathway performance for a propanediol-related pathway (Objective 1) and coupled this data with kinetic metabolic models developed in Objective 3, resulting in several products (4 published research articles, 1 review and 3 other research manuscripts in preparation). We completed half of Objective 2 but found the pathway was incompatible with compartmentalization, which is an important but unexpected result. The details are relayed in the following sections, grouped by objective and task as applicable.

09 BIOMASS FUELS↗

Effects of Intrusive Confining Units on Groundwater Flow at Pahute Mesa, Nevada National Security Site

Geological, geophysical, hydrogeological, and hydrological evidence indicates that feeder dikes to rhyolitic lava flows may play a role as confining units in the groundwater flow system underlying the Pahute Mesa (PM) area of underground nuclear testing at the Nevada National Security Site (NNSS) (Figure 1). Of geological significance, the PM testing area is largely situated within the Silent Canyon caldera complex (SCCC), which includes both tuffs and lavas that were fed by (and are connected to) intrusive rock units such as feeder dikes prior to and during volcanic eruptions (Orkild et al., 1968; Byers et al., 1976a). Groundwater modeling results presented in this report support extension of “pool-dam” and “breach scenario” concepts presented in Jackson and Fenelon (2018) and Jackson et al. (2021) to low-permeability intrusive confining units (ICUs) such as feeder dikes that are expected to dissect and ring silicic calderas. As laterally extensive, steeply-dipping, and sub-parallel planar structures, ICUs may further compartmentalize groundwater flow in some areas of the volcanic aquifer system at PM. ICUs may explain unusually high horizontal hydraulic gradient southwest of Cheshire. Breaching of an ICU within which the Cheshire test was emplaced may explain changes in water levels before and after the Cheshire test was detonated in the U-20n emplacement hole on 2/14/76 (USDOE, 2015b). This analysis of the effects of ICUs on groundwater flow at PM addresses a need to evaluate uncertainty in the conceptual model or structural aspects of hydrologic source term (HST) or corrective action unit (CAU) models for groundwater flow and contaminant transport (FFACO, 1996, as amended). At Cheshire and possibly other test locations at PM, downgradient extent of radionuclide contamination may be overpredicted by not including the confining effects of ICUs. On the other hand, contaminant extent may be underpredicted by not considering transient flow effects and/or the re-equilibrated flow field caused by breaching of an ICU by an underground nuclear test. Near Cheshire, the effects of ICUs may be most apparent and impactful to the groundwater flow system at PM because of an unusual combination of thickness, extent, and frequency of dikes transecting the saturated CHLFA4 aquifer and feeding into the overlying unsaturated rhyolite lava of Windy Wash. Chapters 2, 3, and 4 present geological, geophysical, hydrogeological, and hydrological evidence for ICUs at PM. Chapters 5 and 6 examine effects of ICUs on groundwater flow including analysis by groundwater modeling.

54 ENVIRONMENTAL SCIENCES↗

Dietary uptake of geosmin in rainbow trout ( Oncorhynchus mykiss )

Geosmin is a primary source of muddy/earthy ‘off-flavors’ in farmed fish, which may render their organoleptic quality unacceptable to consumers. Model systems of geosmin uptake typically comprise exposure to waterborne geosmin that is absorbed via the gills. The present research demonstrates dietary exposure as an alternative route of geosmin uptake in Rainbow Trout (Oncorhynchus mykiss) fillets. Trout (average initial weight of 355 g) were stocked in quadruplicate compartmentalized raceways (N = 4 compartments per treatment, n = 50 fish per compartment) supplied with first-use, flow-through water (4.5 complete turnovers per hour). Fish were fed diets containing 0 (control dose), 0.005 (low dose), 0.05 (medium dose), or 0.5 (high dose) mg geosmin/kg feed at 1% body weight/day for four weeks. Fillets (12 fillets/diet/week plus 12 pre-trial fillet samples) and weekly feed and water samples were analyzed via GC–MS to determine geosmin concentrations. Feeding behavior was documented daily according to a four-point scale. ANOVA with post-hoc Tukey tests and polynomial contrast, regression, correlation, and chi-squared statistical analyses were applied to data (α = 0.05 significance level). Palatability of feed did not hinder consumption of the geosmin-spiked feeds: although fish responded positively to all feeds, the most aggressive feeding behavior was observed among those fed medium and high dose feed. Geosmin was effectively imparted into fillets after one week, and no significant temporal effect was found after four weeks. Mean geosmin concentrations significantly increased in fillets from low (mean of 26 ng/kg geosmin) to medium (202 ng/kg) to high (441 ng/kg) dose feed groups during the trial. Polynomial contrasts and regression modeling validated this significant positive effect of dose on geosmin uptake, with an estimated 166 ng/kg rise in fillet-geosmin for every log 10 increase in feed concentration. Waterborne geosmin levels immediately post-feeding were conditionally independent of concentrations in feed and fillets, therefore dietary uptake was affirmed as the predominant mechanism of absorption in the present experimental system. Finally, based on these findings, geosmin-spiked feeds may be used to induce predictable, repeatable levels of this off-flavor compound in fillets and serve as a model system for further investigation of sensory quality and off-flavor mitigation strategies for farm-raised fish.

59 BASIC BIOLOGICAL SCIENCES↗

Development of Integrated Mechanical Pods

This presentation highlights early wins, updated progress, and upcoming developments on ‘national-scale shared development platform’ for rapid prototyping, testing and validation of various integrated Mechanical Pod solutions and form factors. Such pod solutions consist of a set of all-electric heat pump mechanical equipment that have integrated functionalities through built-in controls, with heating, cooling, hot water, ventilation (including energy recovery), electrical management, and battery storage within a single package. The presentation draws inspiration from the success of bathroom pods in the US modular construction industry, UK’s efforts with unitizing mechanical systems as ‘utility cupboards’, and VEIC’s early wins in design-build of all-electric Mechanical Pod solutions in Vermont. The presentation includes researchers and partners involved with NREL in Design for Manufacturing and Assembly (DfMA), Virtual Design and Construction (VDC), and digital twin based process optimization modeling of integrated Mechanical Pod solutions. The presentation aims to highlight early wins from such a platform and how various physical and virtual tools are currently being employed as part of NREL’s ongoing multi-year project funded by US DOE. Streamlined procurement, coordination, installation, and O&M of Mechanical Pods such that the majority of work is delegated to the off-site modular factory implies monetary savings. Such a seemingly basic shift in location of the construction process leads to great reduction in complexity, first cost, lead time, and waste, and greater opportunities for innovative compartmentalization and integration of mechanical systems appropriately sized for each apartment or hotel guest room. However, past studies on unitized combination systems show that high installation costs, maintenance issues, challenges with system integration, limitations in existing electrical infrastructure, and lack of architecturally appealing solutions are key barriers. NREL and partners aim to address key barriers through DfMA approach, rapid prototyping and testing, and digital twin process optimization modeling. The presentation is also a call for interested entities to partner with NREL as part of the national-scale development platform, help drive both product and process innovation, and encourage open source sharing of learnings. Learning objectives include (1) learn about the vision of national-scale shared development platform for process-product innovation on integrated mechanical pod solutions and how to get involved, (2) gain an understanding of the components of an all-electric, high performance home, design characteristics and equipment included in an all-electric mechanical pod, integration of mechanical systems within a modular factories’ assembly line, and the system’s commissioning, operation and maintenance. The pre-planning and coordination with the factory and sub-contractors are also highlighted, (3) gain an understanding of using process modeling tools to quantify resource-constrained performance of operations (such as integration of energy efficiency strategies) to manufacture modules of varying design, (4) gain insights on virtual design, rapid prototyping, and emulated testing of various form factors across different climatic conditions. The need for such preliminary testing with open source sharing of learnings will also be highlighted.

30 DIRECT ENERGY CONVERSION↗

The encapsulin from Thermotoga maritima is a flavoprotein with a symmetry matched ferritin-like cargo protein

Abstract Bacterial nanocompartments, also known as encapsulins, are an emerging class of protein-based ‘organelles’ found in bacteria and archaea. Encapsulins are virus-like icosahedral particles comprising a ~ 25–50 nm shell surrounding a specific cargo enzyme. Compartmentalization is thought to create a unique chemical environment to facilitate catalysis and isolate toxic intermediates. Many questions regarding nanocompartment structure–function remain unanswered, including how shell symmetry dictates cargo loading and to what extent the shell facilitates enzymatic activity. Here, we explore these questions using the model Thermotoga maritima nanocompartment known to encapsulate a redox-active ferritin-like protein. Biochemical analysis revealed the encapsulin shell to possess a flavin binding site located at the interface between capsomere subunits, suggesting the shell may play a direct and active role in the function of the encapsulated cargo. Furthermore, we used cryo-EM to show that cargo proteins use a form of symmetry-matching to facilitate encapsulation and define stoichiometry. In the case of the Thermotoga maritima encapsulin, the decameric cargo protein with fivefold symmetry preferentially binds to the pentameric-axis of the icosahedral shell. Taken together, these observations suggest the shell is not simply a passive barrier—it also plays a significant role in the structure and function of the cargo enzyme.

59 BASIC BIOLOGICAL SCIENCES↗

Out of the Dark and Into the Light: A New View of Phytochrome Photobodies

Light is a critical environmental stimulus for plants, serving as an energy source via photosynthesis and a signal for developmental programming. Plants perceive light through various light-responsive proteins, termed photoreceptors. Phytochromes are red-light photoreceptors that are highly conserved across kingdoms. In the model plant Arabidopsis thaliana , phytochrome B serves as a light and thermal sensor, mediating physiological processes such as seedling germination and establishment, hypocotyl growth, chlorophyll biogenesis, and flowering. In response to red light, phytochromes convert to a biologically active form, translocating from the cytoplasm into the nucleus and further compartmentalizes into subnuclear compartments termed photobodies. PhyB photobodies regulate phytochrome-mediated signaling and physiological outputs. However, photobody function, composition, and biogenesis remain undefined since their discovery. Based on photobody cellular dynamics and the properties of internal components, photobodies have been suggested to undergo liquid-liquid phase separation, a process by which some membraneless compartments form. Here, we explore photobodies as environmental sensors, examine the role of their protein constituents, and outline the biophysical perspective that photobodies may be undergoing liquid-liquid phase separation. Understanding the molecular, cellular, and biophysical processes that shape how plants perceive light will help in engineering improved sunlight capture and fitness of important crops.

54 ENVIRONMENTAL SCIENCES↗

Models of glycolysis: Glyceraldehyde as a source of energy and monomers for prebiotic condensation reactions

All organisms require energy in a chemical form for maintenance and growth. In contemporary life this chemical energy is obtained by the synthesis of the phosphoanhydride bonds of ATP. Among the biological processes that yield ATP, fermentation is generally considered primitive, because it operates under anaerobic conditions by substrate-level phosphorylation which does not require compartmentation by membranes. Fermentation by the glycolytic pathway, which is found in almost every living cell, is an especially attractive energy source for primitive life. Glycolysis not only produces useful chemical energy (ATP), but intermediates of this pathway are also involved in amino acid synthesis and photosynthetic carbon-fixation. It is believed that energy and substrates needed for the origin of life were provided by nonenzymatic chemical reactions that resemble the enzyme-mediated reactions of glycolysis. These nonenzymatic reactions would have provided a starting point for the evolutionary development of glycolysis.

Weber, A. L.↗

An investigation of transitional management problems for the NSTS at NASA, executive summary

A summary is given of the work of the University of Houston research team for the third quarter of effort in a yearly grant for the National Space Transportation System (NSTS). As such it serves as a resting place for the ideas and concepts developed this quarter with the collaboration of the Management Integration Offices of NASA. Another objective is the hope that the report will help to stimulate the healthy problem solving process already present at NASA. The main goal of the contractual work is to help NASA to find ways and means of moving into a truly operational era with the shuttle program. This work is a continuation of early work and the reader is encouraged to read the final reports of earlier years. Chapter One of the report is an introduction. Chapter Two deals with industrial adaptation and is in two parts: theory and application. In the theory section, impressions of the management system immediately after reflight are discussed. A key issue, in the author's opinion is the seeming lack of purpose of the program. The application section has six appendices: 1988 Demographic Survey, Field Notes of Interview with HL/P South Texas Nuclear Project, a comparison of the Agendas of the current manager with that of a previous manager, a note on compartmentalization to assist in manifesting, a study on launch prediction for STS-26, and a discussion of a statistical decision-making course for upper level managers. Chapter Three deals with theoretical results returned on flow shop scheduling which will be of use downstream. Chapter Four deals with a statistical model developed to predict the flight rate in future years and indicates the program will have trouble making its schedule. Chapter Five covers the constructural effort and shows the work to be on schedule.

Hunsucker, John↗

Advances in Computational Approaches for Estimating Passive Permeability in Drug Discovery

Passive permeation of cellular membranes is a key feature of many therapeutics. The relevance of passive permeability spans all biological systems as they all employ biomembranes for compartmentalization. A variety of computational techniques are currently utilized and under active development to facilitate the characterization of passive permeability. These methods include lipophilicity relations, molecular dynamics simulations, and machine learning, which vary in accuracy, complexity, and computational cost. This review briefly introduces the underlying theories, such as the prominent inhomogeneous solubility diffusion model, and covers a number of recent applications. Various machine-learning applications, which have demonstrated good potential for high-volume, data-driven permeability predictions, are also discussed. Due to the confluence of novel computational methods and next-generation exascale computers, we anticipate an exciting future for computationally driven permeability predictions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Systems identification technology development for large space systems

A methodology for synthesizinng systems identification, both parameter and state, estimation and related control schemes for flexible aerospace structures is developed with emphasis on the Maypole hoop column antenna as a real world application. Modeling studies of the Maypole cable hoop membrane type antenna are conducted using a transfer matrix numerical analysis approach. This methodology was chosen as particularly well suited for handling a large number of antenna configurations of a generic type. A dedicated transfer matrix analysis, both by virtue of its specialization and the inherently easy compartmentalization of the formulation and numerical procedures, is significantly more efficient not only in computer time required but, more importantly, in the time needed to review and interpret the results.

Armstrong, E. S.↗

Vortical flow management for improved configuration aerodynamics: Recent experiences

Recent progress in vortex-control applications for alleviating the adverse consequences of three dimensional separation and vortical interactions on slender body/swept wing configurations is reported. Examples include helical separation trip to alleviate the side force due to forebody vortex asymmetry; hinged strakes to avoid vortex breakdown effects; compartmentation of swept leading edge separation to delay the pitch-up instability; under wing vortex trip and vortex trip and vortex flaps for drag reduction at high lift; and an apex-flap trimmer to fully utilize the lift capability of trailing-edge flaps for take off and landing of delta wings. Experimental results on generic wind-tunnel models are presented to illustrate the vortex-management concepts involved and to indicate their potential for enhancing the subsonic aerodynamics of supersonic-cruise type vehicles.

Rao, D. M.↗

Designer membraneless organelles sequester native factors for control of cell behavior

Subcellular compartmentalization of macromolecules increases flux and prevents inhibitory interactions to control biochemical reactions. Inspired by this functionality, we sought to build designer compartments that function as hubs to regulate the flow of information through cellular control systems. Here we report a synthetic membraneless organelle platform to control endogenous cellular activities through sequestration and insulation of native proteins. We engineer and express a disordered protein scaffold to assemble micron size condensates and recruit endogenous clients via genomic tagging with high-affinity dimerization motifs. By relocalizing up to ninety percent of a targeted enzymes to synthetic condensates, we efficiently control cellular behaviors, including proliferation, division, and cytoskeletal organization. Further, we demonstrate multiple strategies for controlled cargo release from condensates to switch cells between functional states. These synthetic organelles offer a powerful and generalizable approach to modularly control cell decision-making in a variety of model systems with broad applications for cellular engineering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Identifying sequence perturbations to an intrinsically disordered protein that determine its phase-separation behavior

Phase separation of intrinsically disordered proteins (IDPs) commonly underlies the formation of membraneless organelles, which compartmentalize molecules intracellularly in the absence of a lipid membrane. Identifying the protein sequence features responsible for IDP phase separation is critical for understanding physiological roles and pathological consequences of biomolecular condensation, as well as for harnessing phase separation for applications in bioinspired materials design. To expand our knowledge of sequence determinants of IDP phase separation, we characterized variants of the intrinsically disordered RGG domain from LAF-1, a model protein involved in phase separation and a key component of P granules. Based on a predictive coarse-grained IDP model, we identified a region of the RGG domain that has high contact probability and is highly conserved between species; deletion of this region significantly disrupts phase separation in vitro and in vivo. We determined the effects of charge patterning on phase behavior through sequence shuffling. We designed sequences with significantly increased phase separation propensity by shuffling the wild-type sequence, which contains well-mixed charged residues, to increase charge segregation. This result indicates the natural sequence is under negative selection to moderate this mode of interaction. We measured the contributions of tyrosine and arginine residues to phase separation experimentally through mutagenesis studies and computationally through direct interrogation of different modes of interaction using all-atom simulations. Finally, we show that despite these sequence perturbations, the RGG-derived condensates remain liquid-like. Together, these studies advance our fundamental understanding of key biophysical principles and sequence features important to phase separation.

36 MATERIALS SCIENCE↗

Launch Vehicle Design Process: Characterization, Technical Integration, and Lessons Learned

Engineering design is a challenging activity for any product. Since launch vehicles are highly complex and interconnected and have extreme energy densities, their design represents a challenge of the highest order. The purpose of this document is to delineate and clarify the design process associated with the launch vehicle for space flight transportation. The goal is to define and characterize a baseline for the space transportation design process. This baseline can be used as a basis for improving effectiveness and efficiency of the design process. The baseline characterization is achieved via compartmentalization and technical integration of subsystems, design functions, and discipline functions. First, a global design process overview is provided in order to show responsibility, interactions, and connectivity of overall aspects of the design process. Then design essentials are delineated in order to emphasize necessary features of the design process that are sometimes overlooked. Finally the design process characterization is presented. This is accomplished by considering project technical framework, technical integration, process description (technical integration model, subsystem tree, design/discipline planes, decision gates, and tasks), and the design sequence. Also included in the document are a snapshot relating to process improvements, illustrations of the process, a survey of recommendations from experienced practitioners in aerospace, lessons learned, references, and a bibliography.

Blair, J. C.↗

Cross-Domain Reasoning for Neuromorphic Model Design

Designing performant neuromorphic models requires reasoning across neuroscience, neuromorphic computing, and machine learning, making it a natural target for cross-domain hypothesis generation. Our primary contribution is a multi-corpus knowledge graph spanning all three domains, which we show substantially increases cross-domain retrieval novelty over single-corpus baselines. We additionally introduce NeuKReAct, an agentic reasoning framework that iteratively retrieves from this graph and synthesizes design hypotheses via a step-by-step blackboard architecture, enabling structured compartmentalization of design decisions. Lastly, we introduce an execution head that translates hypotheses into structured design documents and runnable code. We evaluate novelty using a combinatorial creativity metric that measures cross-domain retrieval distance across the citation graph. Our results confirm that corpus breadth is the dominant driver of novelty. Moreover, we highlight a concrete instance of the novelty-utility tradeoff within NeuKReAct, underscoring a need for joint creativity evaluation, balancing both novelty and utility.

Ramavarapu, Vikram [ORNL] (ORCID:0009000188757213)↗

Response of amphibian egg cytoplasm to novel gravity orientation and centrifugation

The effects of inversion and centrifugation on the compartmentalization of cytoplasm in Xenopus laevis eggs are investigated experimentally. The rearrangement of yolk-platelet compartments (YPC) characterized by morphology, density, and viscosity differences is studied in fertilized, unfertilized, and unfertilized electrically activated eggs in normal, and inverted positions and with and without centrifugation at 10-183 x g for 5 min. The eggs are fixed and embedded in plastic or paraffin prior to sagittal sectioning (0.5, 4, or 8 microns) and microscopic examination; the results are presented in a diagram and discussed. A density-compartment model combining both animal/vegetal and dorsal/ventral polarities is proposed: YPC determined without gravity orientation during oogenesis respond to both sperm entrance point and gravity after fertilization, and the response involves breaking of the radial symmetry of the egg. It is predicted that Xenopus eggs in a microgravity environment will encounter difficulties in establishing a primary embryonic axis.

Neff, A. W.↗