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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 91 records · Page 5
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

Lamellar and Hexagonal Assemblies of PEG-Grafted Silver Nanoparticles: Implications for Plasmonics and Photonics

Assembly of silver nanoparticles (AgNPs) grafted with thiolated poly(ethylene glycol) (PEG-SH) with various molecular weights is reported. Synchrotron-based X-ray surface-sensitive diffraction methods are used to determine the nature of two-dimensional (2D) assemblies at liquid/vapor interfaces, and small-angle X-ray scattering (SAXS) is used to monitor the three-dimensional (3D) assemblies in bulk suspensions. We find that assembly can be induced either by the addition of K 2 CO 3 or polyacrylic acid (PAA) to the PEG-AgNP aqueous suspensions. The addition of K 2 CO 3 induces a 2D hexagonal structure at the liquid/vapor interface and a 3D hexagonal columnar structure in solutions, where the columns consist of tethered PEG-AgNP chains. On the other hand, the addition of PAA leads to the formation of a 2D lamella-like distorted hexagonal sheet at the liquid/vapor interface and a 3D lamellar superstructure formed by stacked 2D sheets in the PEG-AgNP suspension. Effects of the core type of nanoparticles on the assembly can be used to control structures for potential applications in plasmonics and photonics.

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

Sodium dodecyl sulfate modulates the structure and rheological properties of Pluronic F108–poly(acrylic acid) coacervates)

Micelles formed within coacervate phases can impart functional properties, but it is unclear if this micellization provides mechanical reinforcement of the coacervate whereby the micelles act as high functionality crosslinkers. Here, we examine how sodium dodecyl sulfate (SDS) influences the structure and properties of Pluronic F108–polyacrylic acid (PAA) coacervates as SDS is known to decrease the aggregation number of Pluronic micelles. Increasing the SDS concentration leads to larger water content in the coacervate and an increase in the relative concentration of PAA to the other solids. Rheological characterization with small angle oscillatory shear (SAOS) demonstrates that these coacervates are viscoelastic liquids with the moduli decreasing with the addition of the SDS. The loss factor (tan δ) initially increases linearly with the addition of SDS, but a step function increase in the loss factor occurs near the reported CMC of SDS. However, this change in rheological properties does not appear to be correlated with any large scale structural differences in the coacervate as determined by small angle X-ray scattering (SAXS) with no signature of Pluronic micelles in the coacervate when SDS concentration is >4 mM during formation of the coacervate, which is less than that observed (6 mM SDS) in initial Pluronic F108 solution despite the higher polymer concentration in the coacervate. Finally, these results suggest that the mechanical properties of polyelectrolyte-non-ionic surfactant coacervates are driven by the efficicacy of binding between the complexing species driving the coacervate, which can be disrupted by competitive binding of the SDS to the Pluronic.

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

Janus bottlebrush compatibilizers

Bottlebrush random copolymers (BRCPs), consisting of a random distribution of two homopolymer chains along a backbone, can segregate to the interface between two immiscible homopolymers. BRCPs undergo a reconfiguration, where each block segregates to one of the homopolymer phases, adopting a Janus-type structure, reducing the interfacial tension and promoting adhesion between the two homopolymers, thereby serving as a Janus bottlebrush copolymer (JBCP) compatibilizer. Here, we synthesized a series of JBCPs by copolymerizing deuterated or hydrogenated polystyrene (DPS/PS) and poly(tert-butyl acrylate) (PtBA) macromonomers using ruthenium benzylidene-initiated ring-opening metathesis polymerization (ROMP). Subsequent acid-catalyzed hydrolysis converted the PtBA brushes to poly(acrylic acid) (PAA). The JBCPs were then placed at the interface between DPS/PS homopolymers and poly(2-vinyl pyridine) (P2VP) homopolymers, where the degree of polymerization of the backbone (N BB ) and the grafting density (GD) of the JBCPs were varied. Neutron reflectivity (NR) was used to determine the interfacial width and segmental density distributions (including PS homopolymer, PS block, PAA block and P2VP homopolymer) across the polymer-polymer interface. Our findings indicate that the star-like JBCP with N BB = 6 produces the largest interfacial broadening. Increasing N BB to 100 (rod-like shape) and 250 (worm-like shape) reduced the interfacial broadening due to a decrease in the interactions between blocks and homopolymers by stretching of blocks. Decreasing the GD from 100% to 80% at N BB = 100 caused an increase the interfacial width, yet further decreasing the GD to 50% and 20% reduced the interfacial width, as 80% of GD may efficiently increase the flexibility of blocks and promote interactions between homopolymers, while maintaining relatively high number of blocks attached to one molecule. The interfacial conformation of JBCPs was further translated into compatibilization efficiency. Thin film morphology studies showed that only the lower N BB values (N BB = 6 and N BB = 24) and the 80% GD of N BB = 100 had bicontinuous morphologies, due to a sufficient binding energy that arrested phase separation, supported by mechanical testing using asymmetric double cantilever beam (ADCB) tests. These provide fundamental insights into the assembly behavior of JBCPs compatibilizers at homopolymer interfaces, opening strategies for the design of new BCP compatibilizers.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Utilizing Distributed Heterogeneous Computing with PanDA in ATLAS

In recent years, advanced and complex analysis workflows have gained increasing importance in the ATLAS experiment at CERN, one of the large scientific experiments at LHC. Support for such workflows has allowed users to exploit remote computing resources and service providers distributed worldwide, overcoming limitations on local resources and services. The spectrum of computing options keeps increasing across the Worldwide LHC Computing Grid (WLCG), volunteer computing, high-performance computing, commercial clouds, and emerging service levels like Platform-as-a-Service (PaaS), Container-as-a-Service (CaaS) and Function-as-a-Service (FaaS), each one providing new advantages and constraints. Users can significantly benefit from these providers, but at the same time, it is cumbersome to deal with multiple providers, even in a single analysis workflow with fine-grained requirements coming from their applications’ nature and characteristics. In this paper, we will first highlight issues in geographically-distributed heterogeneous computing, such as the insulation of users from the complexities of dealing with remote providers, smart workload routing, complex resource provisioning, seamless execution of advanced workflows, workflow description, pseudointeractive analysis, and integration of PaaS, CaaS, and FaaS providers. We will also outline solutions developed in ATLAS with the Production and Distributed Analysis (PanDA) system and future challenges for LHC Run4.

97 MATHEMATICS AND COMPUTING↗
NASA NTRS1991

Plasmoids as magnetic flux ropes

A magnetic flux rope model is developed and used to determine whether the principal axis analysis (PAA) of magnetometer signatures from a single satellite pass is sufficient to obtain the magnetic topology of plasmoids. The model is also used to determine if plasmoid observations are best explained by the flux rope, closed loop, or large-amplitude wave picture. It was found that the principal axis directions is highly dependent on the satellite trajectory through the structure and, therefore, the PAA of magnetometer data from a single satellite pass is insufficient to differentiate between magnetic closed loop and flux rope models. Results also indicate that the flux rope model of plasmoid formation is well suited to unify the observations of various magnetic structures observed by ISEE 3.

Moldwin, Mark B.↗
NASA NTRS2001

Zr-Containing 4,4'-ODA/PMDA Polyimide Composites

The objective of this research is to improve the atomic oxygen resistance of Kapton(TM), a polyimide (PI) made from pyromellitic acid dianhydride (PMDA) and 4,4'-oxydianiline (ODA), while retaining or enhancing the desirable properties of the pure polymer. Toward this end, zirconium-containing complexes and polymers were used to make composites and blends. Tetra(acetylacetonato)zirconium(IV), Zr(acac)4, which is commercially available, was identified as the best zirconium-containing complex for enhancing the atomic oxygen resistance of polyimide composites of the 10 complexes screened. Films prepared from the commercially available polyamic acid (PAA) of PMDA-ODA (DuPont) have good uniformity, flexibility, and tensile strength. A 24-layer 10% (mol) Zr(acac)4/PI composite film showed significant improvement (ca. 20 fold) of atomic oxygen resistance over the pure polyimide. However, 10% (mol) Zr(acac)4 represents an upper concentration limit, above which films undergo cracking upon thermal imidization. In order to increase the Zr complex concentration in PMDA-ODA PI films, while retaining good film properties, [Zr(adsp)2-PMDA]n coordination polymer [bis(4-amino-N,N'-disalicylidene- 1,2-phenylenediamino)zirconium(IV)-pyromellitic dianhydride] and [Zr(adsp)2-PMDA-ODA-PMDA]n terpolymer were synthesized and blended with commercial PAA, respectively. Several techniques were used to characterize the films made from the polymer containing Zr(acac)4. Plasma studies of films having 2% (mol) incremental concentrations of Zr in the Kapton up to 10% (mol) show that the overall rate of erosion is reduced about 75 percent.

Illingsworth, M. L.↗
NASA NTRS2006

Reducing Propulsion Airframe Aeroacoustic Interactions With Uniquely Tailored Chevrons: 3. Jet-Flap Interaction

Propulsion airframe aeroacoustic (PAA) interactions, resulting from the integration of engine and airframe, lead to azimuthal asymmetries in the flow/acoustic field, e.g., due to the interaction between the exhaust jet flow and the pylon, the wing and its high-lift devices, such as, flaps and flaperons. In the first two parts of this series we have presented experimental results which show that isolated and installed nozzles with azimuthally varying chevrons (AVCs) can reduce noise more than conventional chevrons when integrated with a pylon and a wing with flaps at take-off conditions. In this paper, we present model-scale experimental results for the reduction of jet-flap interaction noise source due to these AVCs and document the PAA installation effects (difference in noise between installed and isolated nozzle configurations) at both approach and take-off conditions. It is found that the installation effects of both types of chevron nozzles, AVCs and conventional, are reversed at approach and take-off, in that there is more installed noise reduction at approach and less at take-off compared to that of the isolated nozzles. Moreover, certain AVCs give larger total installed noise benefits at both conditions compared to conventional chevrons. Phased microphone array results show that at approach conditions (large flap deflection, low jet speed and low ambient Mach number), chevrons gain more noise benefit from reducing jetflap interaction noise than they do from quieting the jet plume noise source which is already weak at these low jet speeds. In contrast, at take-off (small flap deflection, high jet speed and high ambient Mach number) chevrons reduce the dominant jet plume noise better than the reduction they create in jet-flap interaction noise source. In addition, fan AVCs with enhanced mixing near the pylon are found to reduce jet-flap interaction noise better than conventional chevrons at take-off.

Thomas, Russ H.↗
NASA NTRS2006

Reducing Propulsion Airframe Aeroacoustic Interactions with Uniquely Tailored Chevrons: Installed Nozzles - 2

Propulsion airframe aeroacoustic (PAA) interactions arise due to the manner in which an engine is installed on the airframe and lead to an asymmetry in the flow/acoustic environment, for example, for under-the-wing installations due to the pylon, the wing and the high-lift devices. In this work we study how we can affect these PAA interactions to reduce the overall jet-related installed noise by tailoring the chevron shapes on fan and core nozzles in a unique fashion to take advantage of this asymmetry. In part 1 of this trio of papers we introduced the concept of azimuthally varying chevrons (AVC) and showed how some types of AVCs can be more beneficial than the conventional chevrons when tested on "isolated" scaled nozzles inclusive of the pylon effect. In this paper, we continue to study the effect of installing these AVC nozzles under a typical scaled modern wing with high-lift devices placed in a free jet. The noise benefits of these installed nozzles, as well as their installation effects are systematically studied for several fan/core AVC combinations at typical take-off conditions with high bypass ratio. We show, for example, that the top-enhanced mixing T-fan AVC nozzle (with enhanced mixing near the pylon and less mixing away from it) when combined with conventional chevrons on the core nozzle is quieter than conventional chevrons on both nozzles, and hardly produces any high-frequency lift, just as in the isolated case; however, its installed nozzle benefit is less than its isolated nozzle benefit. This suppression of take-off noise benefit under installed conditions, compared to its isolated nozzle benefit, is seen for all other chevron nozzles. We show how these relative noise benefits are related to the relative installation effects of AVCs and baseline nozzles.

Mengle, Vinod G.↗
NASA NTRS2014

Vertical Carbon Nanotube Device in Nanoporous Templates

A modified porous anodic alumina template (PAA) containing a thin CNT catalyst layer directly embedded into the pore walls. CNT synthesis using the template selectively catalyzes SWNTs and DWNTs from the embedded catalyst layer to the top PAA surface, creating a vertical CNT channel within the pores. Subsequent processing allows for easy contact metallization and adaptable functionalization of the CNTs and template for a myriad of applications.

Maschmann, Matthew Ralph↗
NASA NTRS2018

Aircraft System Noise Assessment of the NASA D8 Subsonic Transport Concept

Avehicle-level noise assessment has been performed for theNASAD8 concept aircraft (ND8) in the NASA Advanced Air Transport Technology Project portfolio. The NASA research-level Aircraft NOise Prediction Program (ANOPP-Research) was used to predict the noise from each source component on the ND8 to build up a noise estimate for the full aircraft. The propulsion airframe aeroacoustic (PAA) effects of the ND8, namely boundary layer ingestion (BLI) with its influence on fan noise, and the noise shielding, reflection, and diffraction mechanisms of the unconventional airframe, were empirically modeled using experimental data. Noise reduction technologies appropriate to the 2025-2035 time frame were included in this study. Including all technologies and PAA effects, the ND8 is predicted to have a cumulative margin to the Stage 4 certification metric of only 7.4 EPNdB. Boundary layer ingestion is predicted to have a detrimental impact on cumulative noise levels on the order of 15 EPNdB. Fan noise is seen to be the primary noise source at all three certification points, even if the BLI noise impact could be entirely suppressed. The impact of engine noise shielding by the airframe is limited by a lack of aft shielding and the presence of horizontal tail reflections in the aft direction. The physical constraint on engine size by the pi-tail is seen as a potential barrier to engine noise reduction through the corresponding limitation on fan bypass ratio. Mildly reduced climb performance (compared to similar reference aircraft) does not provide any benefit through increased noise propagation distance. If the boundary layer ingestion noise penalty could be suppressed such that BLI would have no effect on noise, the cumulative margin to Stage 4 would increase to 22.4 EPNdB, still below the NASA Mid Term goal of 32-42 EPNdB.

Clark, Ian A.↗
NASA NTRS2019

Mars-GRAM Support for the Mars Ascent Vehicle

Mars sample return is a bold concept, which entails gathering a varied, scientifically-relevant collection of Martian rock core samples and bringing them to Earth for analysis. To support this endeavor, the Marshall Space Flight Center (MSFC) is developing the Mars Ascent Vehicle (MAV), which is responsible for getting the collected samples off the planet. The MAV Preliminary Architecture Assessment (PAA) study is designing two vehicle architectures based on different propulsion configurations: a two-stage solid-solid concept, and a hybrid concept. Given different thrust profiles for the two configurations, each concept uses a unique trajectory to reach the same orbit. In support of the PAA, The MSFC Natural Environments Branch (EV44) was asked to produce tables of atmospheric parameters along each of the two trajectories. The Mars Global Reference Atmospheric Model (Mars-GRAM) is an EV44 tool that is ideally suited for this analysis. Mars-GRAM will continue supporting MAV development in future design cycles.

Burns, K. L.↗
NASA NTRS2020

Mars Ascent Vehicle Hybrid Propulsion Configuration

As part of a Mars Sample Return (MSR) campaign, two Mars Ascent Vehicle (MAV) configurations have been designed in parallel. Each ascent vehicle configuration has a different propulsion system which ultimately leads to two unique vehicle designs. As part of a Preliminary Architecture Assessment (PAA), these vehicle designs were developed to the same level of maturity in order to inform the selection of one of the vehicles as the point of departure design for the campaign. The selection will be made in November 2019. The initial MSR architecture called for a hybrid-based propulsion MAV. This type of propulsion system calls for a solid wax motor that would utilize liquid MON-25 as an oxidizer. Hybrid rocket propulsion allows for more flexibility than traditional solid or liquid propulsion options, and typically benefits from the advantages of both. A hybrid motor can be throttled and shut down easily, and avoids significant risk in manufacturing and handling. On a theoretical level, hybrid motors perform at a higher specific impulse (Isp) than solid motors. The primary disadvantage of hybrid motors comes from additional complexity and significantly less flight heritage and low Technology Readiness Level (TRL). This paper describes the design of the hybrid propulsion configuration. An additional paper will be published describing the design of the solid propulsion configuration1. The hybrid propulsion configuration MAV was developed in 2019 by NASA Marshall Space Flight Center (MSFC) in association with NASA Jet Propulsion Laboratory (JPL). It features a Single Stage to Orbit (SSTO) design with an SP7A solid wax fuel and MON-25 liquid oxidizer. The liquid portion of the vehicle allows for a Liquid Injection Thrust Vector Controller (LITVC) as well as hypergolic propellant additives for ignition. The vehicle was designed to deliver approximately 0.31kg of Martian geological samples to a circular orbit at Mars of 343km at a 25o inclination. Although hybrid propulsion in general has been used on launch vehicles in the past, the integrated vehicle subsystems that operate in conjunction with these propulsion elements do not typically operate in a Martian environment, which in this application can get as cold as -40oC. The PAA advanced the maturity of these subsystems by performing detailed design and analysis on the vehicle with respect to structures and mechanisms, Guidance/Navigation/Control (GNC) systems, avionics, Reaction Control System (RCS), LITVC, thermal environments, and advanced Computational Fluid Dynamics (CFD). This paper will summarize the results of these studies.

Yaghoubi, Darius↗
NASA NTRS2020

Mars Ascent Vehicle Solid Propulsion Configuration

As part of a Mars Sample Return (MSR) campaign, two Mars Ascent Vehicle (MAV) configurations have been designed in parallel. Each ascent vehicle configuration has a different propulsion system, which ultimately leads to two unique vehicle designs. As part of a Preliminary Architecture Assessment (PAA), these vehicle designs were developed to the same level of maturity in order to inform the selection of one of the vehicles as the point of departure design for the campaign. The selection will be made in November 2019. Although the initial MSR architecture called for a hybrid-based propulsion MAV featuring solid wax fuel with liquid oxidizer, a configuration using more traditional solid propulsion was developed as an additional risk mitigation option. Though lacking in the single stage to orbit (SSTO) and throttle flexibility of a hybrid configuration, a solid configuration vehicle allows a simpler design with significantly longer flight heritage and higher Technology Readiness Level (TRL). This paper describes the design of the solid propulsion configuration. An additional paper will be published describing the design of the hybrid propulsion configuration. The solid propulsion configuration MAV was developed in 2019 by NASA Marshall Space Flight Center (MSFC) in association with NASA Jet Propulsion Laboratory (JPL). It features two stages with a modified STAR-17 motor for the second stage and a traditional electromechanical actuator Thrust Vector Controller (TVC). The vehicle was designed to deliver approximately 0.47kg of Martian geological samples to a circular orbit at Mars of 343km at a 25° inclination. Although solid motor designs in general are at a relatively high TRL, the integrated vehicle subsystems that operate in conjunction with these propulsion elements do not typically operate in a Martian environment, which in this application can get as cold as -40°C. The PAA advanced the maturity of these subsystems by performing detailed design and analysis on the vehicle with respect to structures and mechanisms, Guidance/Navigation/Control (GNC) systems, avionics, Reaction Control System (RCS), TVC, thermal environments, and advanced Computational Fluid Dynamics (CFD). This paper will summarize the results of these studies.

Yaghoubi, Darius↗
NASA NTRS2020

Mars Ascent Vehicle Solid Propulsion Configuration

As part of a Mars Sample Return (MSR) campaign, two Mars Ascent Vehicle (MAV) configurations have been designed in parallel. Each ascent vehicle configuration has a different propulsion system, which ultimately leads to two unique vehicle designs. As part of a Preliminary Architecture Assessment (PAA), these vehicle designs were developed to the same level of maturity in order to inform the selection of one of the vehicles as the point of departure design for the campaign. The selection will be made in November 2019. Although the initial MSR architecture called for a hybrid-based propulsion MAV featuring solid wax fuel with liquid oxidizer, a configuration using more traditional solid propulsion was developed as an additional risk mitigation option. Though lacking in the single stage to orbit (SSTO) and throttle flexibility of a hybrid configuration, a solid configuration vehicle allows a simpler design with significantly longer flight heritage and higher Technology Readiness Level (TRL). This paper describes the design of the solid propulsion configuration. An additional paper will be published describing the design of the hybrid propulsion configuration. The solid propulsion configuration MAV was developed in 2019 by NASA Marshall Space Flight Center (MSFC) in association with NASA Jet Propulsion Laboratory (JPL). It features two stages with a modified STAR-17 motor for the second stage and a traditional electromechanical actuator Thrust Vector Controller (TVC). The vehicle was designed to deliver approximately 0.47kg of Martian geological samples to a circular orbit at Mars of 343km at a 25° inclination. Although solid motor designs in general are at a relatively high TRL, the integrated vehicle subsystems that operate in conjunction with these propulsion elements do not typically operate in a Martian environment, which in this application can get as cold as -40°C. The PAA advanced the maturity of these subsystems by performing detailed design and analysis on the vehicle with respect to structures and mechanisms, Guidance/Navigation/Control (GNC) systems, avionics, Reaction Control System (RCS), TVC, thermal environments, and advanced Computational Fluid Dynamics (CFD). This paper will summarize the results of these studies.

Yaghoubi, Darius↗
DOE OSTI2020

Amphiphilic Block Copolymers for Flocculation and Hydrophobization of Legacy Waste Suspensions in Flotation Driven Dewatering Operations

There exists a degrading legacy fuel pond at the Sellafield site (UK), known as the First-Generation Magnox Storage Pond (FGMSP). After being placed into a passive care and maintenance regime resulting in a long storage period, the fuel rods, primarily their cladding, corroded in the pond forming magnesium hydroxide based sludges and suspended material. These ponds are a grave concern to the British government in terms of hazard and risk reduction. Therefore, decommissioning of these ponds is a top priority beginning with the contaminant retrievals process [1]. The pond has accumulated significant quantities of waste materials amongst the skips of fuel, including but not limited to: large inventories of corroded Magnox sludge, fuel rod fragments, metal fragments (from fuel skips), concrete degradation products (from the pond infrastructure), wind-blown sand, and other materials such as bird guano and animal remains. This challenge requires a chemically robust technology to complete sludge retrievals [2]. As nuclear is different, a more stringent process operation criteria is required. From the criteria, flotation was selected as a viable technology. Flotation involves the application of collector molecules which modify the hydrophobicity of suspended particles allowing them to adsorb to rising bubbles. As some particles lack inertia for flotation due to their size, dual flocculant/collector agents can be deployed for greater particle recovery, in this case, amphiphilic diblock copolymers. Two copolymers of Poly(acrylic acid)-b-poly(n-butyl acrylate) (or PAA-b-PnBA), of different hydrophobic chain lengths (PBA) were synthesized for flotation campaigns. Flotation has shown promise to be a valuable rapid dewatering strategy for decommissioning of legacy waste ponds whilst upholding the required operational criteria. This research has shown: PAA-b-PnBA copolymers promote flocculation of Mg(OH){sub 2} particulates. Diblock copolymers retain more fluid than traditional surfactant based collectors wrt. relative particulate recovery performance- where longer PnBA chain length polymers performed best. Performance appears to be hydrodynamically limited due to over-flocculation of Mg(OH){sub 2}. Potential to combine with sedimentation for high particle recovery with low fluid carryover.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2021

Revealing Au13 as Elementary Clusters During the Early Formation of Au Nanocrystals

Understanding the formation mechanism of nanocrystals in solution is very fundamental to the development of materials science. For a metal nanocrystal, the cluster mediated formation mechanism is still poorly understood. Particularly, identifying what types of clusters are dominant and how they evolve into a nanocrystal in the early nucleation stage remains a great challenge. Here, using liquid-cell transmission electron microscopy, we directly observe the formation of ultra-small Au clusters (~0.84 nm) in the presence of PAA-Na. These clusters, which correspond to the size of Au13 cluster, coalesce to form nanocrystals. Our molecular dynamics simulations suggest Au13 in an aqueous environment have higher stability when compared to other cluster sizes and provide atomistic details of growth by cluster coalescence. Collectively, our demonstration of Au13 as the dominant species with elaboration of their coalescence kinetics sheds light on nonclassical nanocrystal formation mechanisms and offers useful guidelines for designing innovative pathways for synthesis of nanomaterials.

Au13 clusters, cluster coalescence, liquid-cell TE↗
DOE OSTI2025

Aqueous Self‐Assembly of Cylindrical and Tapered Bottlebrush Block Copolymers

The self‐assembly of amphiphilic bottlebrush block copolymers (BCPs), featuring backbones densely grafted with two types of side chains, is less well understood compared to linear BCPs. In particular, the solution self‐assembly of tapered bottlebrush BCPs—cone‐shaped BCPs with hydrophilic or hydrophobic tips—remains unexplored. This study investigates eight tapered and four cylindrical bottlebrush BCPs with varied ratios of hydrophobic polystyrene (PS) and hydrophilic poly(acrylic acid) (PAA) side chains, synthesized via sequential addition of macromonomers using ring‐opening metathesis polymerization (SAM‐ROMP). Self‐assembled nanostructures formed in water were analyzed using cryogenic transmission electron microscopy, small‐angle neutron scattering, and dynamic light scattering. Most BCPs generated multiple nanostructures with surface protrusions, including spherical micelles, cylindrical micelles, and vesicles, alongside transitional forms like ellipsoids and semi‐vesicles. Coarse‐grained molecular dynamics simulations supported the experimental findings, which revealed two distinct self‐assembly pathways. The first involved micelle fusion, producing elliptical and cylindrical aggregates, sometimes forming Y‐junctions. The second pathway featured micelle maturation into semivesicles, which developed into vesicles or large compound vesicles. This work provides the first experimental evidence of vesicle formation via semivesicles in bottlebrush BCPs and demonstrates the significant influence of cone directionality on self‐assembly behavior in these cone‐shaped polymeric amphiphiles.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2023

Conducting Polymers Meet Lithium–Sulfur Batteries: Progress, Challenges, and Perspectives

Lithium–sulfur (Li–S) batteries have attracted increased interest because of the high theoretical energy density, low cost, and environmental friendliness. Conducting polymers (CPs), as one of the most promising materials used in Li–S batteries, can not only facilitate electron transfer and buffer the large volumetric change of sulfur benefiting from their porous structure and excellent flexibility, but also enable stronger physical/chemical adsorption capacity toward polysulfides (LiPSs) when doped with abundant heteroatoms to promote the sulfur redox kinetics and achieve the high sulfur loading. This review firstly introduces the properties of various CPs including structural CPs (polypyrrole (PPy), polyaniline (PANi), polyethylene dioxothiophene [PEDOT]) and compound CPs (polyethylene oxide (PEO), polyvinyl alcohol (PVA) and poly(acrylic acid) [PAA]), and their application potential in Li–S batteries. Furthermore, the research progress of various CPs in different components (cathode, separator, and interlayer) of Li–S batteries is systematically summarized. Finally, the application perspective of the CPs in Li–S batteries as a potential guidance is comprehensively discussed.

Chen, Xin↗