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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 469 records · Page 26
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Ionic Liquid-Mediated Interfacial Polymerization for Fabrication of Reverse Osmosis Membranes

This study revealed the effects of incorporating ionic liquid (IL) molecules: 1-ethyl, 1-butyl, and 1-octyl-3-methyl-imidazolium chlorides with different alkyl chain lengths, in interfacial polymerization (IP) on the structure and property (i.e., permeate-flux and salt rejection ratio) relationships of resulting RO membranes. The IL additive was added in the aqueous meta-phenylene diamine (MPD; 0.1% w/v) phase, which was subsequently reacted with trimesoyl chloride (TMC; 0.004% w/v) in the hexane phase to produce polyamide (PA) barrier layer. The structure of resulting free-standing PA thin films was characterized by grazing incidence wide-angle X-rays scattering (GIWAXS), which results were correlated with the performance of thin-film composite RO membranes having PA barrier layers prepared under the same IP conditions. Additionally, the membrane surface properties were characterized by zeta potential and water contact angle measurements. It was found that the membrane prepared by the longer chain IL molecule generally showed lower salt rejection ratio and higher permeation flux, possibly due to the inclusion of IL molecules in the PA scaffold. This hypothesis was supported by the GIWAXS results, where a self-assembled surfactant-like structure formed by IL with the longest aliphatic chain length was detected.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2020

A mycobacterial ABC transporter mediates the uptake of hydrophilic compounds

Mycobacterium tuberculosis (Mtb) is an obligate human pathogen and the causative agent of tuberculosis. Although Mtb can synthesize vitamin B 12 (cobalamin) de novo, uptake of cobalamin has been linked to pathogenesis of tuberculosis. Mtb does not encode any characterized cobalamin transporter; however, the gene rv1819c was found to be essential for uptake of cobalamin. This result is difficult to reconcile with the original annotation of Rv1819c as a protein implicated in the transport of antimicrobial peptides such as bleomycin. In addition, uptake of cobalamin seems inconsistent with the amino acid sequence, which suggests that Rv1819c has a bacterial ATP-binding cassette (ABC)-exporter fold. In this paper, we present structures of Rv1819c, which reveal that the protein indeed contains the ABC-exporter fold, as well as a large water-filled cavity of about 7,700 Å, which enables the protein to transport the unrelated hydrophilic compounds bleomycin and cobalamin. On the basis of these structures, we propose that Rv1819c is a multi-solute transporter for hydrophilic molecules, analogous to the multidrug exporters of the ABC transporter family, which pump out structurally diverse hydrophobic compounds from cells.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2021

Dynamic and weak electric double layers in ultrathin nanopores

The unique properties of aqueous electrolytes in ultrathin nanopores have drawn a great deal of attention in a variety of applications, such as power generation, water desalination, and disease diagnosis. Inside the nanopore, at the interface, properties of ions differ from those predicted by the classical ionic layering models (e.g., Gouy–Chapman electric double layer) when the thickness of the nanopore approaches the size of a single atom (e.g., nanopores in a single-layer graphene membrane). Here, using extensive molecular dynamics simulations, the structure and dynamics of aqueous ions inside nanopores are studied for different thicknesses, diameters, and surface charge densities of carbon-based nanopores [ultrathin graphene and finite-thickness carbon nanotubes (CNTs)]. The ion concentration and diffusion coefficient in ultrathin nanopores show no indication of the formation of a Stern layer (an immobile counter-ionic layer) as the counter-ions and nanopore atoms are weakly correlated in time compared to the strong correlation observed in thick nanopores. The weak correlation observed in ultrathin nanopores is indicative of a weak adsorption of counter-ions onto the surface compared to that of thick pores. The vanishing counter-ion adsorption (ion–wall correlation) in ultrathin nanopores leads to several orders of magnitude shorter ionic residence times (picoseconds) compared to the residence times in thick CNTs (seconds). The results of this study will help better understand the structure and dynamics of aqueous ions in ultrathin nanopores.

2D materials↗
DOE OSTI2025

Electrical signaling in fungi: past and present challenges

Abstract Electrical signaling is a fundamental mechanism for integrating environmental stimuli and coordinating responses in living organisms. While extensively studied in animals and plants, the role of electrical signaling in fungi remains a largely underexplored field. Early studies suggested that filamentous fungi generate action potential-like signals and electrical currents at hyphal tips, yet their function in intracellular communication remained unclear. Renewed interest in fungal electrical activity has fueled developments such as the hypothesis that mycorrhizal networks facilitate electrical communication between plants and the emerging field of fungal-based electronic materials. Given their continuous plasma membrane, specialized septal pores, and insulating cell wall structures, filamentous fungi possess architectural features that could support electrical signaling over long distances. However, studying electrical phenomena in fungal networks presents unique challenges due to the microscopic dimensions of hyphae, the structural complexity of highly modular mycelial networks, and the limitations of traditional electrophysiological methods. This review synthesizes current evidence for electrical signaling in filamentous fungi, evaluates methodological approaches, and highlights experimental challenges. By addressing these challenges and identifying best practices, we aim to advance research in this field and provide a foundation for future studies exploring the role of electrical signaling in fungal biology.

Buffi, Matteo↗
DOE OSTI2024

Pressure Spike in The LBNF Absorber Core s Gun Drilled Cooling Channel from an Accident Beam Pulse

The LBNF Absorber consists of thirteen 6061-T6 aluminum core blocks. The core blocks are water cooled with de-ionized (DI) water which becomes radioactive during beam operations. The cooling water flows through gun-drilled channels in the core blocks. The cooling water is supplied by the LBNF Absorber Radioactive Water (RAW) cooling system which is designed as per ASME B31.3 Normal Fluid Service [1]. An uninhibited beam accident pulse striking the water channels was identified as a credible accident scenario. In this study, it is assumed that the beam pulse hits the Absorber directly without interacting with any of the other upstream beamline components. The beam parameters used for the LBNF beam are 120 GeV, 2.4 MW with a 1.2 s cycle time. The accident pulse lasts for 10 μs. The maximum energy is deposited in the 3rd aluminum core block. For the sake of simplicity, it is assumed that the accident pulse strikes the 1 in. ID water channel directly. The analysis here simulates the pressure rise in the water during and after the beam pulse and its effects on the aluminum piping components that deliver water to the core blocks. The weld strengths as determined by the Load and Resistance Factor Design (LRDF) and the Allowable Strength Design (ASD) are compared to the forces generated in the weld owing to the pressure spike. A transient structural analysis was used to determine the equivalent membrane, peak, and bending stresses and they were com-pared to allowable limits.

43 PARTICLE ACCELERATORS↗
DOE OSTI2024

Electron/hole selectivity in organic semiconductor contacts for solar energy conversion (Final Report)

Four major and accomplishments for the project "Electron/hole selectivity in organic semiconductor contacts for solar energy conversion.'' are reported. The first is a development of a model describing the contact-determined behavior of a solar cell. The most basic solar cell consists of an intrinsic (pure) semiconductor that acts as an absorber to which contacts are made that provide the asymmetry needed to create a driving force (voltage) for the directional flow of electrons (current), in other words, to convert sunlight into electrical energy. The asymmetry at the contacts comes from the different rate at which electrons and holes, the charge carriers generated by illumination, are collected. We developed a model that describes the ideal current-voltage, and hence energy converting properties, of an ideal photovoltaic that is entirely determined by the kinetics for these charge collection processes. Second, we measured how organic semiconductor interfacial layers impact contact electron and hole transfer rates at semiconductor interfaces and described how these concepts do or do not determine the open-circuit voltage of a solar cell. The work clearly controverts common general misconceptions about the action of contact interfacial layers, such as the idea that improved selectivity for one carrier over the other results from decreased recombination, and quantitatively demonstrates how specific interfacial layer materials act to improve the efficiency of a solar cell. Third, we measured the sub-band gap external quantum efficiency (EQE) of a series of organometal halide perovskite (“perovskite”) solar cells. These measurements quantified band-tailing and revealed defect states, which can cause recombination, that correlate with composition, performance, and hysteresis. Finally, we developed a semiconductor bipolar membrane that uses light to pump ions. This structure is unique among systems that drive ion gradients using light in that it is designed to pump salt rather than one sign of ion; it is a photochemical salt pump.

14 SOLAR ENERGY↗
DOE OSTI2024

Pressure Spike in The LBNF Absorber Core s Gun Drilled Cooling Channel from an Accident Beam Pulse

he LBNF absorber consists of thirteen 6061-T6 aluminum core blocks. The core blocks are water cooled with de-ionized (DI) water which becomes radioactive during beam operations. The cooling water flows through gun-drilled channels in the core blocks. The cooling water is supplied by the LBNF absorber radioactive water (RAW) cooling system which is designed as per ASME B31.3 normal fluid service. An uninhibited beam accident pulse striking the water channels was identified as a credible accident scenario. In this study, it is assumed that the beam pulse hits the absorber directly without interacting with any of the other upstream beamline components. The beam parameters used for the LBNF beam are 120 GeV, 2.4 MW with a 1.2 s cycle time. The accident pulse lasts for 10 µs. The maximum energy is deposited in the 3rd aluminum core block. For the sake of simplicity, it is assumed that the accident pulse strikes the 1 in. ID water channel directly. The analysis here simulates the pressure rise in the water during and after the beam pulse and its effects on the aluminum piping components that deliver water to the core blocks. The weld strengths as determined by the Load and Resistance Factor Design (LRDF) and the Allowable Strength Design (ASD) are compared to the forces generated in the weld owing to the pressure spike. A transient structural analysis was used to determine the equivalent membrane, peak, and bending stresses and they were compared to allowable limits.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2023

Reactive membrane networks for CWA protection

A membrane includes a first layer, and a second layer coupled to the first layer. The second layer includes a network of catalytic sites, each catalytic site having a catalytic center characterized by promoting a chemical reaction of a target material. A method of forming a chemically reactive membrane includes applying a first solution to a structure, the first solution includes a macrocyclic ligand having electron-donating ligands and a side functional group for crosslinking, crosslinking a plurality of the macrocyclic ligand to form a first network of crosslinked macrocyclic ligands, and applying a second solution to the structure, the second solution comprising a catalytic center. Each catalytic center complexes with the electron-donating ligands of each macrocyclic ligand to form catalytic sites in the first network of crosslinked macrocyclic ligands.

Fornasiero, Francesco↗
DOE OSTI2022

Membrane synthesis via in-situ pore formation in silica gels through dynamic miscibility with soybean oil

The dynamic immiscibility between vegetable oil and organic silica precursors during sol-gel synthesis was used to tailor the microstructure of gels made with tetraethoxysilane (TEOS) or tetraethoxysilane+methyltrimethoxysilane (MTMS). Vegetable oil was investigated as an environmentally friendly and cheaper alternative to many other porogens. Oil concentrations of 9.09 v/v% and 33.33 v/v% were studied. For both TEOS and TEOS+MTMS gels, the miscibility of the oil and precursor decreases as the silica gel network forms, leading to oil-rich regions within the silica matrix. Gels containing MTMS maintained partial miscibility with the oil during gel formation due to the non-hydrolysable methyl groups on the MTMS. The pore structure of MTMS gels appeared more interconnected compared to the isolated pores observed in gels made with only TEOS. To create membranes with hierarchical pore structures, solvent exchanges were performed on gels or dried gels (i.e., xerogels) were calcined. The effect of the methyl group was also observed in the results of the time sweep rheology, as the addition of oil to the TEOS+MTMS gels caused an increase in the time to form the spanning gel. The trend was the opposite for oil additions to TEOS gels, which only contained polar groups. Xerogel membranes made with TEOS+MTMS had higher specific surface areas (SSAs) than those made with TEOS. For oil concentrations of 33.33 v/v%, xerogels made from TEOS+MTMS had an average SSA of 1068 + 113 m2 g-1, an order of magnitude higher than the average SSA of 103 + 6 m2 g-1 for xerogels made with TEOS.

sol-gel, dynamic immiscibility, oil-alkoxide inter↗
DOE OSTI2024

Understanding and Manipulating Counterion Condensation within Charged Polymer Electrolytes for Selective and Low Resistant Membrane Separations

Polymeric ion-exchange membranes are found at the heart of numerous electrochemical systems spanning separations (electrodialysis and membrane capacitive deionization) and energy conversion and storage (flow batteries, fuel cells, and electrolyzers). The ion-exchange membrane separators need to be ion conducting but electron insulating, and in many scenarios selective for a particular ion to conduct. Because of their polymeric nature, the molecular architectures of ion-exchange membranes lack the molecular precision found in many inorganic materials. Plus, they contain numerous structural defects that impede ionic transport. As a result of their poor structure, it has been difficult to carefully probe the underlying physics that governs ion transport in ion-exchange membranes. We investigated counterion condensation phenomena in ion-exchange membranes and correlated it to bulk ionic charge transport and selectivity in precisely defined and long-range ordered materials afforded through the principles of directed self-assembly. A multi-faceted approach spanning i.) advanced metrology, two-dimensional atomic force microscopy, x-ray scattering, and ion-exchange equilibria, and ii.) molecular simulations (classical molecular dynamics and ab-inito molecular dynamics) that bridge multiple time and length scales, were employed to correlate the extent of counterion condensation to ionic conductivity and selectivity. After uncovering the extent of the condensation phenomena in this project, new macromolecular chemistries were employed to manipulate the ion pairing interactions of the condensed counterions to tethered ions on the polymer backbone so more facile and selective conduction rates can be attained. The research has aided in the rational design of polymeric ion-exchange membrane separators with high current density for electrochemical systems and subsequently better energy efficiency.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Structure-based design of a strain transcending AMA1-RON2L malaria vaccine

Apical membrane antigen 1 (AMA1) is a key malaria vaccine candidate and target of neutralizing antibodies. AMA1 binds to a loop in rhoptry neck protein 2 (RON2L) to form the moving junction during parasite invasion of host cells, and this complex is conserved among apicomplexan parasites. AMA1-RON2L complex immunization achieves higher growth inhibitory activity than AMA1 alone and protects mice against Plasmodium yoelii challenge. Here, three single-component AMA1-RON2L immunogens were designed that retain the structure of the two-component AMA1-RON2L complex: one structure-based design (SBD1) and two insertion fusions. All immunogens elicited high antibody titers with potent growth inhibitory activity, yet these antibodies did not block RON2L binding to AMA1. The SBD1 immunogen induced significantly more potent strain-transcending neutralizing antibody responses against diverse strains of Plasmodium falciparum than AMA1 or AMA1-RON2L complex vaccination. This indicates that SBD1 directs neutralizing antibody responses to strain-transcending epitopes in AMA1 that are independent of RON2L binding. This work underscores the importance of neutralization mechanisms that are distinct from RON2 blockade. The stable single-component SBD1 immunogen elicits potent strain-transcending protection that may drive the development of next-generation vaccines for improved malaria and apicomplexan parasite control.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2023

Crystal structure of the CoV-Y domain of SARS-CoV-2 nonstructural protein 3

Abstract Replication of the coronavirus genome starts with the formation of viral RNA-containing double-membrane vesicles (DMV) following viral entry into the host cell. The multi-domain nonstructural protein 3 (nsp3) is the largest protein encoded by the known coronavirus genome and serves as a central component of the viral replication and transcription machinery. Previous studies demonstrated that the highly-conserved C-terminal region of nsp3 is essential for subcellular membrane rearrangement, yet the underlying mechanisms remain elusive. Here we report the crystal structure of the CoV-Y domain, the most C-terminal domain of the SARS-CoV-2 nsp3, at 2.4 Å-resolution. CoV-Y adopts a previously uncharacterized V-shaped fold featuring three distinct subdomains. Sequence alignment and structure prediction suggest that this fold is likely shared by the CoV-Y domains from closely related nsp3 homologs. NMR-based fragment screening combined with molecular docking identifies surface cavities in CoV-Y for interaction with potential ligands and other nsps. These studies provide the first structural view on a complete nsp3 CoV-Y domain, and the molecular framework for understanding the architecture, assembly and function of the nsp3 C-terminal domains in coronavirus replication. Our work illuminates nsp3 as a potential target for therapeutic interventions to aid in the on-going battle against the COVID-19 pandemic and diseases caused by other coronaviruses.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Proteolytic processing induces a conformational switch required for antibacterial toxin delivery

Many Gram-negative bacteria use CdiA effector proteins to inhibit the growth of neighboring competitors. CdiA transfers its toxic CdiA-CT region into the periplasm of target cells, where it is released through proteolytic cleavage. The N-terminal cytoplasm-entry domain of the CdiA-CT then mediates translocation across the inner membrane to deliver the C-terminal toxin domain into the cytosol. Here, we show that proteolysis not only liberates the CdiA-CT for delivery, but is also required to activate the entry domain for membrane translocation. Translocation function depends on precise cleavage after a conserved VENN peptide sequence, and the processed ΔVENN entry domain exhibits distinct biophysical and thermodynamic properties. By contrast, imprecisely processed CdiA-CT fragments do not undergo this transition and fail to translocate to the cytoplasm. These findings suggest that CdiA-CT processing induces a critical structural switch that converts the entry domain into a membrane-translocation competent conformation.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2026

Resilient high-temperature reverse osmosis desalination membranes

Conventional thin-film composite (TFC) reverse osmosis (RO) membranes experience irreversible performance loss at high temperatures, restricting their use in industries with high-temperature streams, including oil and gas, pharmaceuticals, electronics, power generation, food production, and hybrid desalination plants. However, the mechanisms driving the performance decline of TFC membranes at high temperatures remain poorly understood. Herein, we combine controlled experiments, molecular dynamics simulations, and micromechanical modeling to elucidate TFC failure mechanisms and to evaluate thermally resilient thin-film cross-linked (TFX) composite membrane. Upon exposure to elevated temperatures (>60°C), salt rejection of TFC dropped from ~99 to <90%, with irreversible structural damage in the polysulfone layer, confirmed by scanning electron microscopy. In contrast, the TFX membrane maintained ~99% salt rejection and showed no signs of physical degradation up to 80°C. Our combined analyses revealed that TFC membrane failure arises from irreversible pore expansion in the thermoplastic polysulfone support, leading to polyamide film rupture and delamination. TFX membranes resist thermal deformation, enabling ultrahigh-temperature RO desalination and water reuse.

Wu, Jishan [Rice Univ., Houston, TX (United States↗
DOE OSTI2021

Performance and durability of anion exchange membrane water electrolyzers using down-selected polymer electrolytes

Over the last decade, several stable anion exchange polymer electrolytes have been developed for electrochemical devices. Herein, we investigate how chemical structure and physical properties of polymer electrolytes affect performance and durability of anion exchange membrane water electrolyzers (AEMWEs). We select polymer electrolytes with high alkaline stability and consider their polymer properties including conductivity, mechanical/chemical stability, and material interactions to interpret the performance and durability of AEMWEs. Here, the AEMWE with a poly(phenylene) membrane and a poly(fluorene) ionomeric binder exhibited the best performance among those tested in this study; the AEMWE showed ~1 A cm –2 at 2 V under 1 wt% K 2 CO 3 -fed conditions. The voltage degradation rate was 270–550 μV h –1 for several hundred operating hours at a constant current density of 750 mA cm –2 and a differential pressure of 100 pounds per square inch gauge. Based on these results, we discuss research needs of polymer electrolytes for practical AEMWEs.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Fabrication of Polymer Membrane-Suspended Microstructures on Printed Circuit Boards

When microelectromechanical systems are manufactured in high densities, the necessary routing layer structures can become complex and thus expensive if executed in silicon technology. If, additionally, the microstructures are also to be fabricated suspended on membranes, complex thinning processes become necessary to form these often rather fragile membranes. Here, a novel fabrication concept is demonstrated that allows for the fabrication of membrane-suspended microstructures using standard microfabrication techniques directly integrated with printed circuit boards (PCB) by laminating polyimide (PI) films over cavities in the PCB. This results in cost-effective routing layer fabrication and direct compatibility with common electronic component standards such as SMT (surface-mount technology) and THT (through-hole technology). To illustrate the capabilities of the fabrication process, we fabricated an array of membrane suspended microheaters. Individual platinum microheater elements are suspended on PI membranes that are 25 μm thick and 500 μm in diameter. The fabricated PCB carries a 10x10 array of suspended microheaters on an area of 26,mm x 26,mm. Here, the characterization of the microheater array shows that a yield of 86% functional microheaters was achieved. An individual microheater shows an almost linear heating characteristic at least up to 200°C demonstrating the viability of the technique for creating functional membrane-suspended microstructures on a PCB. [2021-0226]

47 OTHER INSTRUMENTATION↗