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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 1,279 records · Page 71
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Polymer electrolyte based on crosslinked poly(glycidyl methacrylate) and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide

Polymer electrolytes based on crosslinked poly(glycidyl methacrylate) as polymer host and 1-butyl-3-methylimidazolium bis(trifluoromethylsulfonyl)imide (BmimTFSI) as incorporated salt were prepared by in-situ photopolymerization technique. The complexes with different mass ratio of glycidyl methacrylate (GMA) monomer to BmimTFSI were investigated. The ionic conductivity of the polymer electrolyte was increased and reach the highest value of 7.50 × 10{sup −4} S cm{sup −1} at the ratio of 3:7 (GMA: BmimTFSI). The interaction between the polymer host and ionic liquid was proved by Attenuated Total Reflectance-Fourier Transformation Infra-Red Spectroscopy (ATR-FTIR). Meanwhile, the X-ray diffraction analysis shows the amorphousity of the polymer electrolyte film increase with the ionic liquid ratio.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2015

Ultra-thin silicon/electro-optic polymer hybrid waveguide modulators

Ultra-thin silicon and electro-optic (EO) polymer hybrid waveguide modulators have been designed and fabricated. The waveguide consists of a silicon core with a thickness of 30 nm and a width of 2 μm. The cladding is an EO polymer. Optical mode calculation reveals that 55% of the optical field around the silicon extends into the EO polymer in the TE mode. A Mach-Zehnder interferometer (MZI) modulator was prepared using common coplanar electrodes. The measured half-wave voltage of the MZI with 7 μm spacing and 1.3 cm long electrodes is 4.6 V at 1550 nm. The evaluated EO coefficient is 70 pm/V, which is comparable to that of the bulk EO polymer film. Using ultra-thin silicon is beneficial in order to reduce the side-wall scattering loss, yielding a propagation loss of 4.0 dB/cm. We also investigated a mode converter which couples light from the hybrid EO waveguide into a strip silicon waveguide. The calculation indicates that the coupling loss between these two devices is small enough to exploit the potential fusion of a hybrid EO polymer modulator together with a silicon micro-photonics device.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Mechanical strength of boron nitride nanotube-polymer interfaces

We investigate the mechanical strength of boron nitride nanotube (BNNT) polymer interfaces by using in situ electron microscopy nanomechanical single-tube pull-out techniques. The nanomechanical measurements show that the shear strengths of BNNT-epoxy and BNNT-poly(methyl methacrylate) interfaces reach 323 and 219 MPa, respectively. Molecular dynamics simulations reveal that the superior load transfer capacity of BNNT-polymer interfaces is ascribed to both the strong van der Waals interactions and Coulomb interactions on BNNT-polymer interfaces. The findings of the extraordinary mechanical strength of BNNT-polymer interfaces suggest that BNNTs are excellent reinforcing nanofiller materials for light-weight and high-strength polymer nanocomposites.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Interfaces in polymer nanocomposites – An NMR study

Nuclear Magnetic Resonance (NMR) is applied for the investigation of polymer nanocomposites. Solid-state NMR is applied to study the modification steps to compatibilize layered double hydroxides with non-polar polymers. {sup 1}H relaxation NMR gives insight on the polymer dynamics over a wide range of correlation times. For the polymer chain dynamics the transverse relaxation time T{sub 2} is most suited. In this presentation we report on two applications of T{sub 2} measurements under external mechanical stress. In a low-field system relaxation NMR studies are performed in-situ under uniaxial stress. High-temperature experiments in a Couette cell permit the investigation of the polymer dynamics in the melt under shear flow.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Synthesis and characterization thin films of conductive polymer (PANI) for optoelectronic device application

In this work we report preparation and investigation of structural and optical properties of polyaniline conducting polymer. By using sol-gel in spin coating technique to synthesize thin films of conducting polymer polyaniline (PANI). Conducting polymer polyaniline was synthesized by the chemical oxidative polymerization of aniline monomers. The thin films were characterized by technique: Hall effect, High Resolution X-ray diffraction (HR-XRD), Fourier transform infrared (FTIR) spectroscopy, Field emission scanning electron microscopy (FE-SEM), and UV-vis spectroscopy. Polyaniline conductive polymer exhibit amorphous nature as confirmed by HR-XRD. The presence of characteristic bonds of polyaniline was observed from FTIR spectroscopy technique. Electrical and optical properties revealed that (p-type) conductivity PANI with room temperature, the conductivity was 6.289×10{sup −5} (Ω.cm){sup −1}, with tow of absorption peak at 426,805 nm has been attributed due to quantized size of polyaniline conducting polymer.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

A force-level theory of the rheology of entangled rod and chain polymer liquids. I. Tube deformation, microscopic yielding, and the nonlinear elastic limit

In this paper, we employ a first-principles-based, force-level approach to construct the anharmonic tube confinement field for entangled fluids of rigid needles, and also for chains described at the primitive-path (PP) level in two limiting situations where chain stretch is assumed to either be completely equilibrated or unrelaxed. The influence of shear and extensional deformation and polymer orientation is determined in a nonlinear elastic limit where dissipative relaxation processes are intentionally neglected. For needles and PP-level chains, a self-consistent analysis of transverse polymer harmonic dynamical fluctuations predicts that deformation-induced orientation leads to tube weakening or widening. In contrast, for deformed polymers in which chain stretch does not relax, we find tube strengthening or compression. For all three systems, a finite maximum transverse entanglement force localizing the polymers in effective tubes is predicted. The conditions when this entanglement force can be overcome by an externally applied force associated with macroscopic deformation can be crisply defined in the nonlinear elastic limit, and the possibility of a “microscopic absolute yielding” event destroying the tube confinement can be analyzed. For needles and contour-relaxed PP chains, this force imbalance occurs at a stress of order the equilibrium shear modulus and a strain of order unity, corresponding to a mechanically fragile entanglement tube field. However, for unrelaxed stretched chains, tube compression stabilizes transverse polymer confinement, and there appears to be no force imbalance. These results collectively suggest that the crossover from elastic to irreversible viscous response requires chain retraction to initiate disentanglement. Finally, we qualitatively discuss comparisons with existing phenomenological models for nonlinear startup shear, step strain, and creep rheology experiments.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2018

Investigating the role of non-covalent interactions in conformation and assembly of triazine-based sequence-defined polymers

Grate and co-workers at Pacific Northwest National Laboratory recently developed high information content triazine-based sequence-defined polymers that are robust by not having hydrolyzable bonds and can encode structure and functionality by having various side chains. Through molecular dynamics (MD) simulations, the triazine polymers have been shown to form particular sequential stacks, have stable backbone-backbone interactions through hydrogen bonding and π–π interactions, and conserve their cis/trans conformations throughout the simulation. However, we do not know the effects of having different side chains and backbone structures on the entire conformation and whether the cis or trans conformation is more stable for the triazine polymers. For this reason, we investigate the role of non-covalent interactions for different side chains and backbone structures on the conformation and assembly of triazine polymers in MD simulations. Since there is a high energy barrier associated with the cis-trans isomerization, we use replica exchange molecular dynamics (REMD) to sample various conformations of triazine hexamers. To obtain rates and intermediate conformations, we use the recently developed concurrent adaptive sampling (CAS) algorithm for dimers of triazine trimers. Here, we found that the hydrogen bonding ability of the backbone structure is critical for the triazine polymers to self-assemble into nanorod-like structures, rather than that of the side chains, which can help researchers design more robust materials.

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

Stratification of polymer mixtures in drying droplets: Hydrodynamics and diffusion

In this work, we study the evaporation-induced stratification of a mixture of short and long polymer chains in a drying droplet using molecular simulations. We systematically investigate the effects of hydrodynamic interactions (HI) on this process by comparing hybrid simulations accounting for HI between polymers through the multiparticle collision dynamics technique with free-draining Langevin dynamics simulations neglecting the same. We find that the dried supraparticle morphologies are homogeneous when HI are included but are stratified in core–shell structures (with the short polymers forming the shell) when HI are neglected. The simulation methodology unambiguously attributes this difference to the treatment of the solvent in the two models. We rationalize the presence (or absence) of stratification by measuring phenomenological multicomponent diffusion coefficients for the polymer mixtures. The diffusion coefficients show the importance of not only solvent backflow but also HI between polymers in controlling the dried supraparticle morphology.

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

Pentiptycene-based ladder polymers with configurational free volume for enhanced gas separation performance and physical aging resistance

Significance Gas separation membranes are an emerging energy-efficient alternative toward conventional, energy-intensive separation technologies such as cryogenic distillation. Ladder polymers with intrinsic microporosity show exceptional promise toward redefining state-of-the-art gas separation membranes due to their high permeability (throughput) and selectivity (separation efficiency). However, they are typically inhibited by major reductions in permeability over time due to collapsing membrane free volume (open space between polymer chains), forfeiting their greatest asset. This work explores a route toward enhanced aging resistance and overall separation performance by incorporating pentiptycene (an H-shaped scaffold containing five fused arene rings) into ladder-like polymers to incorporate natural, more permanent “micropores” that aren’t susceptible to densification of polymer chains that occurs over time in traditional microporous polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Controlling swelling in mixed transport polymers through alkyl side-chain physical cross-linking

Semiconducting conjugated polymers bearing glycol side chains can simultaneously transport both electronic and ionic charges with high charge mobilities, making them ideal electrode materials for a range of bioelectronic devices. However, heavily glycolated conjugated polymer films have been observed to swell irreversibly when subjected to an electrochemical bias in an aqueous electrolyte. The excessive swelling can lead to the degradation of their microstructure, and subsequently reduced device performance. An effective strategy to control polymer film swelling is to copolymerize glycolated repeat units with a fraction of monomers bearing alkyl side chains, although the microscopic mechanism that constrains swelling is unknown. Here we investigate, experimentally and computationally, a series of archetypal mixed transporting copolymers with varying ratios of glycolated and alkylated repeat units. Experimentally we observe that exchanging 10% of the glycol side chains for alkyl leads to significantly reduced film swelling and an increase in electrochemical stability. Through molecular dynamics simulation of the amorphous phase of the materials, we observe the formation of polymer networks mediated by alkyl side-chain interactions. When in the presence of water, the network becomes increasingly connected, counteracting the volumetric expansion of the polymer film.

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

Chain dynamics of alternating polymers P(C n EG 4 )

Alternating or sequence defined polymers attract the attention of an increasing number of researchers recently. Due to their different blocks, they are very customizable and material properties can be tuned. In this publication, we present dynamical studies with focus on polymer dynamics, investigated by rheology and fast field cycling (FFC) NMR. The molecular weight dependencies of the relaxation time and zero-shear viscosity could hint to entanglement effects; however, the spectral shape of the viscoelastic data resembles the polymer dynamics of unentangled melts. Furthermore, taking both techniques into account, i.e. rheology and FFC NMR leads to the conclusion that the relaxation spectra of the alternating polymer are similar to those of linear polymers.

36 MATERIALS SCIENCE↗
DOE OSTI2023

Design and Analysis of a Floating-Wind Shallow-Water Mooring System Featuring Polymer Springs

This paper presents a mooring system design featuring polymer springs for the VolturnUS-S 15-MW reference floating wind turbine in site conditions for the New York Bight at a 50-m water depth. Polymer springs have a nonlinear stress-strain curve that allows a stiffer response at low loads and a more flexible response at higher loads, potentially reducing peak mooring line tensions. The mooring dynamics model MoorDyn has been extended to model springs with nonlinear tension-strain curves from a user-inputted look-up table. This MoorDyn modeling advancement is verified against OrcaFlex simulation results. Using MoorDyn's updated capabilities, a spring-equipped catenary mooring system is designed for the 15-MW floating system, along with a baseline catenary mooring system that does not use polymer springs. The floating wind turbine simulator OpenFAST is used to simulate the mooring systems in design-driving load cases to show the effect of polymer springs on key dynamic behaviours. The results show that the spring-equipped design reduces peak tensions by up to 60%, whereas the turbine offsets stay within a maximum of 7.2 m, which is still a reasonable offset limit for cable considerations. The reduction in peak tensions results in a significant decrease in damage equivalent loads - on the order of 50% for upwind lines in fully loaded conditions. These results show that polymer springs can effectively reduce peak tensions and fatigue loads in mooring systems at shallow water depths.

floating offshore wind↗
DOE OSTI2019

Interaction of Long-lived Reactive Species from Cold Atmospheric Pressure Plasma with Polymers: Chemical Modification by Ozone and Reactive Oxygen-Nitrogen Species

Atmospheric pressure plasma (APP) sources are able to generate a variety of reactive species that have different effects on materials, such as functionalization, etching and deposition. In this article, we study the effect of long-lived reactive neutral species on polymers using a model plasma-surface interaction (PSI) system that consists of ultra-thin (~10 nm) polystyrene (PS) films and a surface micro-discharge (SMD) reactor operated with various N 2 /O 2 working gas mixtures. We characterized and quantified the reactive species generated by SMD using IR and UV absorption, and we found that O 3 , N 2 O 5 , N 2 O and HNO 3 are the dominant long-lived reactants near the target surface. When exposing PS films to these reactive species, we observed material responses including film thickness expansion, surface and bulk oxidation, and surface organic nitrate formation. The quantity of these changes varied with the N 2 /O 2 working gas composition. By correlating material response with gas phase species, we find that the chemical modification of PS strongly depends on the density of O 3 in the gas phase, which is indicative of an essential role of O 3 in the remote APP treatment of polymers. Our results show that O 3 causes polymer surface oxidation, participates in the diffusion-reaction process in the polymer bulk, and results in aromatic ring cleavage and the formation of carbonyl groups. In contrast, we did not find a correlation between surface organic nitrate and individual long-lived reactive species mentioned above. This indicates that surface organic nitrate formation on polymer surfaces might result from the interaction of multiple reactive species, including O 3 and nitrogen containing species. A model for the interphase mass transfer of reactive species from gas to solid was also described.

36 MATERIALS SCIENCE↗
DOE OSTI2016

SU-G-JeP2-11: Polymer Gels as 3D QA Devices in Magnetic Resonance-Guided Radiation Therapy

Purpose: To demonstrate the potential of polymer gels to serve as 3D QA devices in MR-guided radiotherapy. Methods: Custom-designed polymer gel dosimeters (MGS Research, Madison, CT) were centered on the penumbras of a radiation field, parallel to the magnetic field lines inside a 1.5 T MR scanner integrated with a 7 MV linac (MR-Linac). 15 Gy were delivered perpendicular to the magnetic field. Coronal MR images were acquired with a 2D balanced-Fast Field Echo (b-FFE) sequence in real-time during irradiation and with a 2D spin echo sequence at different times after irradiation. Signal intensities (SI) were measured inside and outside the radiation field on b-FFE images obtained during irradiation. Spin-spin relaxation rate (R2) maps were calculated from images after irradiation and penumbra widths were calculated from these maps. Results: A difference in SI between areas of the dosimeter inside and outside of the radiation field could be measured immediately after the beam was turned on. The difference in SI increased throughout the duration of the exposure. R2 values from immediately after irradiation were 83% of those measured 24h post-irradiation. At 1h after irradiation, the R2 values were 87% of those at 24h indicating that polymerization of the gel was still ongoing. At 24h postirradiation the width of the 80/20 penumbra on the left field edge measured 6.5 mm and on the right 5.6 mm. Conclusion: The MR-Linac allows for MR imaging during treatment and measurements of 3D dose distributions with steep dose gradients without having to transfer dosimeters for read-out. The results showed promise for polymer gels as relative 3D QA devices to verify radiation treatment plans delivered by an MR-Linac. To our knowledge, this was the first time that polymer gels were used for real-time image acquisition. Further investigations into the application of polymer gel dosimetry on MR-Linac are ongoing.

60 APPLIED LIFE SCIENCES↗
DOE OSTI2013

Reticulated Nanoporous Polymers by Controlled Polymerization-Induced Microphase Separation

Materials with percolating mesopores are attractive for applications such as catalysis, nanotemplating, and separations. Polymeric frameworks are particularly appealing because the chemical composition and the surface chemistry are readily tunable. We report on the preparation of robust nanoporous polymers with percolating pores in the 4- to 8-nanometer range from a microphase-separated bicontinuous precursor. We combined polymerization-induced phase separation with in situ block polymer formation from a mixture of multifunctional monomers and a chemically etchable polymer containing a terminal chain transfer agent. This marriage results in microphase separation of the mixture into continuous domains of the etchable polymer and the emergent cross-linked polymer. Precise control over pore size distribution and mechanical integrity renders these materials particularly suited for various advanced applications.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Dielectric Aging and Dielectric Degradation (Breakdown) of Polymer Films in AC Electric Fields

An explanation is proposed for the difference of the electric-strength properties of polymers in dc and ac electric fields. The energy release upon the recombination of electrons and holes injected into a polymer dielectric is considered as a factor accelerating the processes of electric aging of these dielectrics in an ac electric field. It is shown that the nonradiative relaxation of electron excited states, which causes the bond scission in macromolecules and the formation of free radicals, leads to the formation of deep electron traps in the polymer dielectric; as a result, the macromolecule ionization in an electric field is accelerated due to the transition of electrons into these traps. In the solid-state plasma, screening effect, which decreases the molecule ionization potential, appears. As a result, the macromolecule ionization rate, i.e., the rate of charge carrier formation, increases, which leads to a decrease in the lifetime of a polymer dielectric in an ac electric field as compared to the polymer lifetime in a dc electric field.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2019

New Technology of High-Sensitivity Ferro/Piezoelectric Materials Based on Micro- and Nanostructured Hybrid Polymers

Fabrication of composites based on micro- and nanostructured hybrid polymers have been studied. A new technology for nanoparticle immobilization in the polymer matrix of the composite has been suggested. Its essence is to produce functional electronegative polymer segments in the polymer matrix, which are the main agents preventing nanoparticle mobilization in the polymer phase of a composite.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2025

Improved interfacial li-ion transport in composite polymer electrolytes via surface modification of LLZO

Composite polymer electrolytes that incorporate ceramic fillers in a polymer matrix offer mechanical strength and flexibility as solid electrolytes for lithium metal batteries. However, fast Li + transport between polymer and Li + -conductive filler phases is not a simple achievement due to high barriers for Li + exchange across the interphase. This study demonstrates how modification of Li 7 La 3 Zr 2 O 12 (LLZO) nanofiller surfaces with silane chemistries influences Li + transport at local and global electrolyte scales. Anhydrous reactions covalently link amine-functionalized silanes [(3-aminopropyl)triethoxysilane (APTES)] to LLZO nanoparticles, which protects LLZO in air. APTES functionalization lowers the poly (ethylene oxide) (PEO)-LLZO interphase resistance to half that of unmodified LLZO and increases effective Li + transference number, while insulating Al 2 O 3 completely blocks ion exchange and lowers transference number and conductivity in PEO-lithium bis(trifluoromethanesulfonyl)imide (LiTFSI)-LLZO composites. Modeling an inner resistive interphase between LLZO and PEO surrounded by an outer conductive interphase explains non-linear conductivity trends. Solid-state 7 Li & 6 Li nuclear magnetic resonance shows Li + only exchanges between PEO-LiTFSI and some LLZO interphase, with no appreciable Li + transport through bulk LLZO. Surface functionalization is a promising path toward lowering the polymer-ceramic interphase resistance. This work demonstrates that local changes in Li + transport affect macroscopic performance, highlighting the intricate relationships between all interfaces in inherently heterogeneous composite polymer electrolytes.

25 ENERGY STORAGE↗