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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 37 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Order and Disorder in High $χ$/Low N , Broad Dispersity ABA Triblock Polymers

Using a combination of small-angle X-ray scattering (SAXS) and transmission electron microscopy (TEM), we document the composition-dependent morphologies of 39 new poly(lactide- block -1,4-butadiene- block -lactide) (LBL) block polymers, comprising a broad dispersity B segment ( M n = 4.5–17.7 kg/mol; Ð = M w / M n = 1.72–1.88) and narrow dispersity L end blocks ( M n = 0.6–15.3 kg/mol; Ð = 1.10–1.21) with volume fractions 0.26 ≤ $f$ B ≤ 0.95. A subset of these samples undergo melt self-assembly into cylindrical, lamellar, and apparently bicontinuous morphologies. By assessing the states of order and disorder in these triblock polymer melts using temperature-dependent SAXS, we find that broad B segment dispersity increases the minimum segregation strength $χ$ N ≳ 27 required for LBL triblock self-assembly relative to the self-consistent mean-field theory prediction $χ$ N ≥ 17.9 for narrow dispersity analogues. While B segment dispersity has previously been shown to thermodynamically stabilize the self-assembled morphologies of low $χ$/high N ABA triblocks, in contrast, the present study indicates that broad B block dispersity in related high $χ$/low N systems destabilizes the microphase-separated melt. These observations are rationalized in terms of recent theories that suggest that broad segmental dispersity substantially enhances fluctuation effects at low N , thus disfavoring melt segregation.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Printable, Degradable, and Biocompatible Ion Gels from a Renewable ABA Triblock Polyester and a Low Toxicity Ionic Liquid

We have designed printable, biocompatible, and degradable ion gels by combining a novel ABA triblock aliphatic polyester, poly(ε-decalactone)-b-poly(dl-lactide)-b-poly(ε-decalactone), and a low toxicity ionic liquid, 1-butyl-1-methylpyrrolidinium bistrifluoromethanesulfonylimide ([P14][TFSI]). Due to the favorable compatibility between amorphous poly(dl-lactide) and [P14][TFSI] and the insolubility of the poly(ε-decalactone), the triblock polymer forms self-assembled micellar cross-links similar to thermoplastic elastomers, which ensures similar processing conditions and mechanical robustness during the fabrication of printed electrolyte-gated organic transistor devices. Additionally, the ester backbone in the polymer structure enables efficient hydrolytic degradation of these ion gels compared to those made previously using carbon-backbone polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Unexpected Consequences of Block Polydispersity on the Self-Assembly of ABA Triblock Copolymers

Controlled/'living' polymerizations and tandem polymerization methodologies offer enticing opportunities to enchain a wide variety of monomers into new, functional block copolymer materials with unusual physical properties. However, the use of these synthetic methods often introduces nontrivial molecular weight polydispersities, a type of chain length heterogeneity, into one or more of the copolymer blocks. While the self-assembly behavior of monodisperse AB diblock and ABA triblock copolymers is both experimentally and theoretically well understood, the effects of broadening the copolymer molecular weight distribution on block copolymer phase behavior are less well-explored. We report the melt-phase self-assembly behavior of SBS triblock copolymers (S = poly(styrene) and B = poly(1,4-butadiene)) comprised of a broad polydispersity B block (M{sub w}/M{sub n} = 1.73-2.00) flanked by relatively narrow dispersity S blocks (M{sub w}/M{sub n} = 1.09-1.36), in order to identify the effects of chain length heterogeneity on block copolymer self-assembly. Based on synchrotron small-angle X-ray scattering and transmission electron microscopy analyses of seventeen SBS triblock copolymers with poly(1,4-butadiene) volume fractions 0.27 {le} f{sub B} {le} 0.82, we demonstrate that polydisperse SBS triblock copolymers self-assemble into periodic structures with unexpectedly enhanced stabilities that greatly exceed those of equivalent monodisperse copolymers. The unprecedented stabilities of these polydisperse microphase separated melts are discussed in the context of a complete morphology diagram for this system, which demonstrates that narrow dispersity copolymers are not required for periodic nanoscale assembly.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Microcanonical Kinetics of Water-Mediated Proton Transfer in 4ABAH + ·(H 2 O) n = 4–6 Clusters (ABA = Aminobenzoic Acid): A Model System for Size-Dependent Relaxation to Ergodic Behavior

Here, we leverage the unique properties of the 4ABAH + · (H 2 O) n clusters (ABA = 4-aminobenzoic acid, n = 4−6) to quantitatively address how a finite, isolated system evolves into an ergodic condition starting from localized arrangements in configuration space. This system adopts two distinct structural isomers in which water molecules cluster around the cationic centers of its two protomers with widely separated positive charge centers. These isomers arise from excess proton attachment to either the acid (O) or amino (N) group on opposite sides of the benzene ring. Both forms are captured and kinetically trapped using cryogenic ion methods and then selectively vibrationally excited through their mutually exclusive IR bands involving NH and OH stretching fundamentals. Because the IR excitation lies below the water binding energy, the system can evolve to explore slow, rare events that lead to the interconversion between the two isomers. The rates of these intracluster reactions are determined by using a pump−probe scheme involving ∼5 ns IR pump and UV probe lasers. The rates occur on the microsecond time scale, leading to steady state populations of the isomers, thus revealing the cluster size-dependent fractionation between the two species at microcanonical equilibrium. The steady state distributions are correlated with the expected trend in the cluster size-dependent reaction energetics, which are in turn consistent with changes in the relative densities of states of the two species. These results thus provide an unusually clear example in which complex, protic-solvent-mediated chemical transformations are captured within a finite system at a precisely determined internal energy.

Rana, Abhijit [Yale Univ., New Haven, CT (United S↗
DOE OSTI2026

AmeriFlux US-ABa Archbold grazed seminative pasture

This is the AmeriFlux version of the carbon flux data for the site US-ABa Archbold grazed seminative pasture. Site Description - Grazing since the early 1900s. Prescribed fire every 2-3 years. There is no record of any soil amendments or fertilizer applied. Soils are sandy loamy. Malabar soil.

Bernacchi, Carl [Global Change and Photosynthesis ↗
DOE OSTI2018

Double-Layer Morphologies from a Silicon-Containing ABA Triblock Copolymer

A combined experimental and self-consistent-field theoretical (SCFT) investigation of the phase behavior of poly(stryrene-b-dimethylsiloxane-b-styrene) (PS-b-PDMS-b-PS, or SDS32) thin films during solvent vapor annealing is presented. The morphology of the triblock copolymer is described as a function of the as-cast film thickness and the ratio of two different solvent vapors, toluene and heptane. SDS32 formed terraced bilayer morphologies even when the film thickness was much lower than the commensurate thickness. The morphology transitioned between bilayer cylinders, bilayer perforated lamellae, and bilayer lamellae, including mixed structures such as a perforated lamella on top of a layer of in-plane cylinders, as the heptane fraction during solvent annealing increased. SCFT modeling showed the same morphological trends as a function of the block volume fraction. In comparison with diblock PS-b-PDMS with the same molecular weight, the SDS32 offers a simple route to produce a diversity of well-ordered bilayer structures with smaller feature sizes, including the formation of bilayer perforated lamellae over a large process window.

36 MATERIALS SCIENCE↗
DOE OSTI2021

Effect of stereochemistry on nanoscale assembly of ABA triblock copolymers with crystallizable blocks

We report on the nanoscale assembly of poly(lactic acid)-b-poly(ethylene oxide)-b-poly(lactic acid) (PLA-PEO-PLA) triblock copolymers in water, focusing on the effect of stereochemistry, where the PLA blocks are statistical copolymers of l-lactide and d-lactide with l/d ratios of 100/0, 95/5, 90/10, 85/15, 75/25, and 50/50. Small-angle neutron scattering (SANS) shows a nearly constant d-spacing as concentration varies in triblock systems with l/d ratios of 90/10 and 95/5, which we attribute to inhomogeneity in the structure of these gels, supported by previous USANS and confocal microscopy studies. The SANS data fit well to a core-shell ellipsoid form factor model with a hard-sphere structure factor. Polymeric micelles with l/d ratios from 75/25 to 85/15 displayed very high aggregation numbers, consistent with a strong interaction between PLA chains and the enhanced storage modulus observed in rheological studies of these systems. While the 90/10 and 95/5 samples showed lower aggregation numbers, their SANS profiles shows close spacing between micelles, which may promote a high fraction of intermicellar bridging chains, also consistent with a higher storage modulus. Overall, these results provide insight into the micellar assembly behavior of block copolymers with a crystallizable block, and indicate that tuning stereochemistry of PLA-based block copolymers is an effective means of modifying micellar properties for specific applications.

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

Self-assembled complex micelle phase stability in ABA-type triblock copolymers and related core-shell bottlebrushes

We report the synthesis and temperature-dependent morphologies of a series of polylactide--poly (-decalactone)--polylactide (LDL) triblock copolymers with M n = 16.0 – 18.1 kg / mol and volume fractions f L = 0.27 – 0.31 and associated core-shell bottlebrush (csBB) polymers, which derive from enchaining LDL triblocks through a polymerizable midchain functionality. While the LDL triblocks form micellar Frank-Kasper A15 and phases due to the conformational asymmetry of this monomer pair, the csBB morphologies sensitively depend on the backbone degree of polymerization ( N bb ). At low N bb values, micellar Frank-Kasper phases with the brush backbone situated in the matrix domain are stable, albeit with a modest reduction in the mean interfacial curvature evidenced by a to A15 order-to-order transition. However, larger N bb values drive csBBs to form hexagonally packed cylinders phases. This N bb -dependent phase behavior is rationalized in terms of a star-to-bottlebrush transition. At low N bb values, the csBBs are akin to star polymers with pointlike junctions that can support complex micelle packings. As N bb increases, the csBBs adopt cylindrical molecular geometries with extended backbones situated in the matrix domain that prefer hexagonally packed cylinders morphologies. Published by the American Physical Society 2024

Materials Science↗
DOE OSTI2014

SU-E-J-220: Evaluation of Atlas-Based Auto-Segmentation (ABAS) in Head-And-Neck Adaptive Radiotherapy

Purpose: Evaluate the accuracy of atlas-based auto segmentation of organs at risk (OARs) on both helical CT (HCT) and cone beam CT (CBCT) images in head and neck (HN) cancer adaptive radiotherapy (ART). Methods: Six HN patients treated in the ART process were included in this study. For each patient, three images were selected: pretreatment planning CT (PreTx-HCT), in treatment CT for replanning (InTx-HCT) and a CBCT acquired in the same day of the InTx-HCT. Three clinical procedures of auto segmentation and deformable registration performed in the ART process were evaluated: a) auto segmentation on PreTx-HCT using multi-subject atlases, b) intra-patient propagation of OARs from PreTx-HCT to InTx-HCT using deformable HCT-to-HCT image registration, and c) intra-patient propagation of OARs from PreTx-HCT to CBCT using deformable CBCT-to-HCT image registration. Seven OARs (brainstem, cord, L/R parotid, L/R submandibular gland and mandible) were manually contoured on PreTx-HCT and InTx-HCT for comparison. In addition, manual contours on InTx-CT were copied on the same day CBCT, and a local region rigid body registration was performed accordingly for each individual OAR. For procedures a) and b), auto contours were compared to manual contours, and for c) auto contours were compared to those rigidly transferred contours on CBCT. Dice similarity coefficients (DSC) and mean surface distances of agreement (MSDA) were calculated for evaluation. Results: For procedure a), the mean DSC/MSDA of most OARs are >80%/±2mm. For intra-patient HCT-to-HCT propagation, the Resultimproved to >85%/±1.5mm. Compared to HCT-to-HCT, the mean DSC for HCT-to-CBCT propagation drops ∼2–3% and MSDA increases ∼0.2mm. This Resultindicates that the inferior imaging quality of CBCT seems only degrade auto propagation performance slightly. Conclusion: Auto segmentation and deformable propagation can generate OAR structures on HCT and CBCT images with clinically acceptable accuracy. Therefore, they can be reliably implemented in the clinical HN ART process.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2015

TU-PIS-Exhibit Hall-5: ABAS - Atlas Based Auto Segmentation

Brachytherapy devices and software are designed to last for a certain period of time. Due to a number of considerations, such as material factors, wear-and-tear, backwards compatibility, and others, they all reach a date when they are no longer supported by the manufacturer. Most of these products have a limited duration for their use, and the information is provided to the user at time of purchase. Because of issues or concerns determined by the manufacturer, certain products are retired sooner than the anticipated date, and the user is immediately notified. In these situations, the institution is facing some difficult choices: remove these products from the clinic or perform tests and continue their usage. Both of these choices come with a financial burden: replacing the product or assuming a potential medicolegal liability. This session will provide attendees with the knowledge and tools to make better decisions when facing these issues. Learning Objectives: Understand the meaning of “end-of-life or “life expectancy” for brachytherapy devices and software Review items (devices and software) affected by “end-of-life” restrictions Learn how to effectively formulate “end-of-life” policies at your institution Learn about possible implications of “end-of-life” policy Review other possible approaches to “end-of-life” issue.

60 APPLIED LIFE SCIENCES↗