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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 1,675 records · Page 93
All sourcesNASA NTRSDOE OSTI
DOE OSTI2016

Structure and phase behavior of polymer loaded non-ionic and anionic microemulsions

We investigate the structure and phase behavior of C{sub 12}E{sub 4} based reverse water in octane microemulsions with small angle x-ray scattering and small angle neutron scattering experiments to explore the phase diagram of the droplet structure. In the regime of stable droplets, these droplets are loaded with the hydrophilic polymer polyethyleneoxide (M{sub W} = 1500 g/mol) and compared with microemulsions based on the anionic surfactant AOT. In the small angle neutron scattering experiments, we use shell contrast to focus on the surfactant shell and its variation with addition of polymer. We observe, as predicted by indirect measurements such as dielectric spectroscopy, that the polymer interacts differently with a nonionic or an anionic surfactant shell: In the former case the addition of polymer does not seem to affect the surfactant shell. In the latter case, the obtained scattering data show that the anionic surfactant layer is strongly influenced leading to a higher polydispersity which may be attributed to a floppier surfactant shell.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Observation of dynamic equilibrium cluster phase in nanoparticle-polymer system

Small-angle neutron scattering (SANS) and dynamic light scattering (DLS) have been used to investigate the existence of a cluster phase in a nanoparticle-polymer system. The nanoparticle-polymer system shows an interesting reentrant phase behavior where the charge stabilized silica nanoparticles undergo particle clustering and back to individual nanoparticles as a function of polymer concentration. This kind of phase behavior is believed to be directed by opposing attractive and repulsive interactions present in the system. The phase behavior shows two narrow regions of polymer concentration immediately before and after the two-phase formation indicating the possibility of the existence of some equilibrium clusters. DLS results show a much higher size of particles than individuals in these two regions which remains unchanged even after dilution. The SANS data show the evolution of attraction with increased volume fraction of the particles supporting the dynamic nature of these clusters.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Improved electrical properties of free standing blend polymer for renewable energy resources

Blend polymer electrolytes are prepared for salt concentration (Ö/Li = 4) with the constant ratio (0.5 gm) of PEO and PAN using solution casting technique. The prepared free standing solid polymeric film is characterized by Field Emission Scanning Electron Microscopy (FESEM) which confirms the homogeneous distribution of dissociated salt in blend polymer matrix. After addition of salt the ionic conductivity value is found to be of the order of 7.13 × 10{sup −5} Scm{sup −1} which is three orders higher when compared with pure blend polymer films. The microscopic interaction among the polymer-ion, ion-ion has been confirmed by the Fourier Transform Infrared (FTIR) Spectroscopy. A very fine correlation has been built in the electrical conductivity and FTIR result. On the basis of above finding, a prepared free standing solid polymeric film appears to be appropriate for the energy storage/conversion device applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

Atomistic simulation of graphene-based polymer nanocomposites

Polymer/graphene nanostructured systems are hybrid materials which have attracted great attention the last years both for scientific and technological reasons. In the present work atomistic Molecular Dynamics simulations are performed for the study of graphene-based polymer nanocomposites composed of pristine, hydrogenated and carboxylated graphene sheets dispersed in polar (PEO) and nonpolar (PE) short polymer matrices (i.e., matrices containing chains of low molecular weight). Our focus is twofold; the one is the study of the structural and dynamical properties of short polymer chains and the way that they are affected by functionalized graphene sheets while the other is the effect of the polymer matrices on the behavior of graphene sheets.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2016

Luminescent GdVO{sub 4}:Sm{sup 3+} quantum dots enhance power conversion efficiency of bulk heterojunction polymer solar cells by Förster resonance energy transfer

In this work, we report enhanced power conversion efficiency (PCE) of bulk heterojunction polymer solar cells by Förster resonance energy transfer (FRET) from samarium-doped luminescent gadolinium orthovanadate (GdVO{sub 4}:Sm{sup 3+}) quantum dots (QDs) to polythieno[3,4-b]-thiophene-co-benzodithiophene (PTB7) polymer. The photoluminescence emission spectrum of GdVO{sub 4}:Sm{sup 3+} QDs overlaps with the absorption spectrum of PTB7, leading to FRET from GdVO{sub 4}:Sm{sup 3+} to PTB7, and significant enhancements in the charge-carrier density of excited and polaronic states of PTB7 are observed. This was confirmed by means of femtosecond transient absorption spectroscopy. The FRET from GdVO{sub 4}:Sm{sup 3+} QDs to PTB7 led to a remarkable increase in the power conversion efficiency (PCE) of PTB7:GdVO{sub 4}:Sm{sup 3+}:PC{sub 71}BM ([6,6]-phenyl-C{sub 71}-butyric acid methyl ester) polymer solar cells. The PCE in optimized ternary blend PTB7:GdVO{sub 4}:Sm{sup 3+}:PC{sub 71}BM (1:0.1:1.5) is increased to 8.8% from 7.2% in PTB7:PC{sub 71}BM. This work demonstrates the potential of rare-earth based luminescent QDs in enhancing the PCE of polymer solar cells.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate

In this paper, we have studied the dynamics and relaxation of charge carriers in poly(methylmethacrylate)-lithium salt based polymer electrolytes plasticized with ethylene carbonate. Structural and thermal properties have been examined using X-ray diffraction and differential scanning calorimetry, respectively. We have analyzed the complex conductivity spectra by using power law model coupled with the contribution of electrode polarization at low frequencies and high temperatures. The temperature dependence of the ionic conductivity and crossover frequency exhibits Vogel-Tammann-Fulcher type behavior indicating a strong coupling between the ionic and the polymer chain segmental motions. The scaling of the ac conductivity indicates that relaxation dynamics of charge carriers follows a common mechanism for all temperatures and ethylene carbonate concentrations. The analysis of the ac conductivity also shows the existence of a nearly constant loss in these polymer electrolytes at low temperatures and high frequencies. The fraction of free anions and ion pairs in polymer electrolyte have been obtained from the analysis of Fourier transform infrared spectra. It is observed that these quantities influence the behavior of the composition dependence of the ionic conductivity.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Fabrication and independent control of patterned polymer gate for a few-layer WSe{sub 2} field-effect transistor

We report the fabrication of a patterned polymer electrolyte for a two-dimensional (2D) semiconductor, few-layer tungsten diselenide (WSe{sub 2}) field-effect transistor (FET). We expose an electron-beam in a desirable region to form the patterned structure. The WSe{sub 2} FET acts as a p-type semiconductor in both bare and polymer-covered devices. We observe a highly efficient gating effect in the polymer-patterned device with independent gate control. The patterned polymer gate operates successfully in a molybdenum disulfide (MoS{sub 2}) FET, indicating the potential for general applications to 2D semiconductors. The results of this study can contribute to large-scale integration and better flexibility in transition metal dichalcogenide (TMD)-based electronics.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Vibronic exciton model for low bandgap donor–acceptor polymers

In this study, a vibronic exciton model is introduced to describe the excited state band structure and associated absorption spectra of low bandgap donor–acceptor conjugated polymers. The Hamiltonian is represented in a diabatic basis consisting of Frenkel-like donor and acceptor fragment excitations as well as charge-transfer (CT) excitations between neighboring fragments. States are coupled to each other through electron and hole transfer as well as Coulombically, through interacting fragment transition dipole moments. Local vibronic coupling involving the prominent aromatic-quinoidal vibrational mode, which is responsible for pronounced vibronic progressions in most conjugated oligomers and polymers, is also included. The DAD repeat unit is shown to behave like a J-aggregate trimer, driven by both the sizable in-phase electron and hole transfer integrals between donor and acceptor fragments as well as negative Coulomb coupling between donor and acceptor fragment excitations. The J-aggregate behavior is enhanced in the polymer limit through inter-repeat unit coupling, with the 0–0 vibronic peak significantly enhanced in the lowest-energy near-IR band. In addition, the radiative rate is enhanced by the number of coherently connected repeat units. The near-IR band is shown to possess roughly equal admixtures of CT and Frenkel-like excitations. Applications are made to the polymer PffBT4T-2DT, with the simulated absorption spectrum quantitatively capturing the salient features of the measured spectrum.

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

Polyvinyl acetate-based polymer host for optical and far-infrared spectroscopy of individualized nanoparticles

Preparation techniques for producing films of individualized solution-dispersed nanoparticles (NPs) for optical spectroscopy are frequently technically challenging and tailored for a specific NP system. In this work, we present a rapid, easy, and economical technique for producing polyvinyl acetate (PVAc)-based NP-polymer films on the order of 100’s of micrometers thick that exhibit high uniformity, low aggregation, excellent optical transparency, and low terahertz absorption. In addition, we find that these films are robust at cryogenic temperatures and have a high laser damage threshold of 0.3 TW cm –2 , which make them suitable for pulsed laser measurements. We show that free-standing, flexible, PVAc films can incorporate both one-dimensional single-wall carbon nanotubes (SWCNTs) and zero-dimensional Au NPs. Using absorbance, Raman scattering, and photoluminescence excitation spectroscopy, we observe that SWCNT individualization is maintained, and minimized polymer strain imposed, when the nanotubes are transitioned from the solution to the polymer host. This PVAc-based polymer host presents researchers with a straightforward method for producing free-standing and flexible NP films with low aggregation.

36 MATERIALS SCIENCE↗
DOE OSTI2022

The effect of polymer stiffness on magnetization reversal of magnetorheological elastomers

Ultrasoft magnetorheological elastomers (MREs) offer convenient real-time magnetic field control of mechanical properties that provides a means to mimic mechanical cues and regulators of cells in vitro. Here, we systematically investigate the effect of polymer stiffness on magnetization reversal of MREs using a combination of magnetometry measurements and computational modeling. Poly-dimethylsiloxane-based MREs with Young’s moduli that range over two orders of magnitude were synthesized using commercial polymers Sylgard™ 527, Sylgard 184, and carbonyl iron powder. The magnetic hysteresis loops of the softer MREs exhibit a characteristic pinched loop shape with almost zero remanence and loop widening at intermediate fields that monotonically decreases with increasing polymer stiffness. A simple two-dipole model that incorporates magneto-mechanical coupling not only confirms that micrometer-scale particle motion along the applied magnetic field direction plays a defining role in the magnetic hysteresis of ultrasoft MREs but also reproduces the observed loop shapes and widening trends for MREs with varying polymer stiffnesses.

36 MATERIALS SCIENCE↗
DOE OSTI2018

A molecular dynamics study of water-soluble polymers: analysis of force fields from atomistic simulations

A force field (FF) analysis was performed on three water-soluble polymers (PAM, PNIPAAm, and PEO), that are of significant interest for biomedical applications, by measuring the polymer radius of gyration ( R g ), solvent accessible surface area (SASA), radial distribution functions ( g ( r )), and relative shape anisotropy ( κ 2 ) in dilute conditions. Three generalized FFs were utilized to model PAM and PNIPAAm (DREIDING, GAFF, and GAFF2) in conjunction with five water models: SPC, SPC/E, TIP3P, TIP4P, and TIP4P/2005. It was found that the DREIDING FF showed better agreement with PAM experimental data reported for R g , irrespective of the water model. For PNIPAAm, the DREIDING FF was also the best performing among the FFs studied; however, the choice of water model played an important role in the predicted properties. The trends in SASA and κ 2 are consistent with R g . For PEO modelled with the CHARMM C35r FF, all water models except TIP3P resulted in good agreement with experimental and previous simulation data. Furthermore these results highlight the considerable impact that polymer and water force fields can have on sampling appropriate polymer conformations in solvated systems.

36 MATERIALS SCIENCE↗
DOE OSTI2019

Effects of spherical confinement and backbone stiffness on flexible polymer jamming

We use molecular simulations to study jamming of a crumpled bead-spring model polymer in a finite container and compare to jamming of repulsive spheres. After proper constraint counting, the onset of rigidity is seen to occur isostatically as in the case of repulsive spheres. Despite this commonality, the presence of the curved container wall and polymer backbone bonds introduce new mechanical properties. Notably, these include additional bands in the vibrational density of states that reflect the material structure as well as oscillations in local contact number and density near the wall but with lower amplitude for polymers. Polymers have fewer boundary contacts, and this low-density surface layer strongly reduces the global bulk modulus. Here, we further show that bulk-modulus dependence on backbone stiffness can be described by a model of stiffnesses in series and discuss potential experimental and biological applications.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2020

Understanding PV Polymer Backsheet Degradation through X-Ray Scattering

Understanding how photovoltaic (PV) module backsheet polymers age and degrade in response to environmental stresses is important for designing polymers that can maintain their structural integrity after decades of outdoor use. X-ray scattering is a powerful technique for exploring backsheet polymer structure at the angstrom- (wide-angle, WAXS) and nanometer- (small-angle, SAXS) length-scales. We present the use of SAXS and WAXS to study pristine and aged polymer backsheets. The structural insight from these techniques can be used to compare the degradation induced by accelerated testing with the degradation seen in field-aged PV materials.

14 SOLAR ENERGY↗
DOE OSTI2015

Effect of transition metal salts on the initiated chemical vapor deposition of polymer thin films

In this work, the effect of transition metal salts on the initiated chemical vapor deposition of polymer thin films was studied using x-ray photoelectron spectroscopy. The polymerizations of 4-vinyl pyridine and 1H,1H,2H,2H-perfluorodecyl acrylate were studied using copper(II) chloride (CuCl{sub 2}) and iron(III) chloride (FeCl{sub 3}) as the transition metal salts. It was found that the surface coverages of both poly(4-vinyl pyridine) (P4VP) and poly(1H,1H,2H,2H-perfluorodecyl acrylate) were decreased on CuCl{sub 2}, while the surface coverage of only P4VP was decreased on FeCl{sub 3}. The decreased polymer surface coverage was found to be due to quenching of the propagating radicals by the salt, which led to a reduction of the oxidation state of the metal. The identification of this reaction mechanism allowed for tuning of the effectiveness of the salts to decrease the polymer surface coverage through the adjustment of processing parameters such as the filament temperature. Additionally, it was demonstrated that the ability of transition metal salts to decrease the polymer surface coverage could be extended to the fabrication of patterned cross-linked coatings, which is important for many practical applications such as sensors and microelectronics.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2016

Polymer ligand–induced autonomous sorting and reversible phase separation in binary particle blends

The tethering of ligands to nanoparticles has emerged as an important strategy to control interactions and organization in particle assembly structures. Here, we demonstrate that ligand interactions in mixtures of polymer-tethered nanoparticles (which are modified with distinct types of polymer chains) can impart upper or lower critical solution temperature (UCST/LCST)–type phase behavior on binary particle mixtures in analogy to the phase behavior of the corresponding linear polymer blends. Therefore, cooling (or heating) of polymer-tethered particle blends with appropriate architecture to temperatures below (or above) the UCST (or LCST) results in the organization of the individual particle constituents into monotype microdomain structures. The shape (bicontinuous or island-type) and lengthscale of particle microdomains can be tuned by variation of the composition and thermal process conditions. Thermal cycling of LCST particle brush blends through the critical temperature enables the reversible growth and dissolution of monoparticle domain structures. The ability to autonomously and reversibly organize multicomponent particle mixtures into monotype microdomain structures could enable transformative advances in the high-throughput fabrication of solid films with tailored and mutable structures and properties that play an important role in a range of nanoparticle-based material technologies.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Investigation of Deuterium Substitution Effects in a Polymer Membrane Using IR Fourier Spectrometry

Experiments on IR Fourier spectrometry of a Nafion polymer membrane swollen in water are described. The dynamics of Nafion swelling is studied in relation to the deuterium content in water. It has turned out that, if the polymer swells in waters with different deuterium contents, a considerable confinement effect is observed, which, in this case, manifests itself in that the transmittance of IR radiation of water that is enclosed within a region with a size of ~100 μm differs from that of water that is inside nanometer pores of the polymer membrane. In addition, the transmittance of Nafion swollen in water measured at a wavelength of λ = 1.92 μm (spectral minimum) experiences a local minimum in the deuterium concentration range 10{sup 2} < C < 10{sup 3} ppm, irrespective of the soaking time of the polymer in deuterated water. Finally, the effect of the deuterium substitution of the residual water present in the volume of the membrane has been revealed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Resonance tunneling of cooper pairs in a superconductor-polymer-superconductor josephson junction

It is shown that the superconducting current flowing though a polymer in a superconductor-polymer-superconductor Josephson structure is due to resonant tunneling of Cooper pairs. The critical current and the thickness of the polymer in which the superconducting current is observed depend on the coherence length of a Cooper pair in the superconductor contacting the polymer.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2013

Finite-temperature perturbation theory for the random directed polymer problem

We study the random directed polymer problem-the short-scale behavior of an elastic string (or polymer) in one transverse dimension subject to a disorder potential and finite temperature fluctuations. We are interested in the polymer short-scale wandering expressed through the displacement correlator Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket , with {delta}u(X) being the difference in the displacements at two points separated by a distance X. While this object can be calculated at short scales using the perturbation theory in higher dimensions d > 2, this approach becomes ill-defined and the problem turns out to be nonperturbative in the lower dimensions and for an infinite-length polymer. In order to make progress, we redefine the task and analyze the wandering of a string of a finite length L. At zero temperature, we find that the displacement fluctuations Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket {proportional_to} LX{sup 2} depend on L and scale with the square of the segment length X, which differs from a straightforward Larkin-type scaling. The result is best understood in terms of a typical squared angle Left-Pointing-Angle-Bracket {alpha}{sup 2} Right-Pointing-Angle-Bracket {proportional_to} L, where {alpha} = {partial_derivative}{sub x}u, from which the displacement scaling for the segment X follows naturally, Left-Pointing-Angle-Bracket [{delta}u(X)]{sup 2} Right-Pointing-Angle-Bracket {proportional_to} Left-Pointing-Angle-Bracket {alpha}{sup 2} Right-Pointing-Angle-Bracket X{sup 2}. At high temperatures, thermal fluctuations smear the disorder potential and the lowest-order results for disorder-induced fluctuations in both the displacement field and the angle vanish in the thermodynamic limit L {yields} {infinity}. The calculation up to the second order allows us to identify the regime of validity of the perturbative approach and provides a finite expression for the displacement correlator, albeit depending on the boundary conditions and the location relative to the boundaries.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗