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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 703 records · Page 39
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Unveiling the mechanisms of lithium dendrite suppression by cationic polymer film induced solid–electrolyte interphase modification

It is crucial to suppress lithium dendrite formation in lithium metal batteries. Formation of a good solid–electrolyte interphase (SEI) has been considered to be effective in limiting lithium dendrite growth. However, how the SEI may be modified during lithium deposition is hard to resolve due to challenges in in situ investigation of the SEI with fine details. Here, we report an in situ study that uncovers the lithium dendrite suppression mechanism arising from SEI modification by a poly(diallyldimethylammonium chloride) (PDDA) cationic polymer film, using electrochemical liquid cell transmission electron microscopy (TEM). Lithium nanogranules are obtained in the presence of the polymer film. Chemical mapping of the deposits provides remarkable details of the SEI on individual nanogranules. It shows that lithium fluorides are uniformly distributed within the inner SEI layer of individual lithium nanogranules, arising from the instantaneous reaction of the deposited lithium with PF 6 – ions accumulated by the cationic polymer film, and thus the dendritic growth of lithium is prohibited. The ability to directly measure SEI chemistry at the nanoscale down to the individual nanograins in situ and unveil its correlation with the lithium deposition behavior opens future opportunities to explore unsolved mechanisms in batteries.

25 ENERGY STORAGE↗
DOE OSTI2022

Insights into dual-functional modification for water stability enhancement of mesoporous zirconium metal–organic frameworks

The stability of metal–organic frameworks (MOFs) in water affects their ability to function as chemical catalysts, their capacity as adsorbents for separations in water vapor presence, and their usefulness as recyclable water harvesters. Here, we have examined water stability of four node-modified variants of the mesoporous MOF, NU-1000, namely formate-, Acac-, TFacac-, and Facac-NU-1000, comparing these with node-accessible NU-1000. These NU-1000 variants present ligands grafted to NU-1000's hexa-Zr(IV)-oxy nodes by displacing terminal aqua and hydroxo ligands. Facac-NU-1000, containing the most hydrophobic ligands, showed the greatest water stability, being able to undergo at least 20 water adsorption/desorption cycles without loss of water uptake capacity. Computational studies revealed dual salutary functions of installed Facac ligands: (1) enhancement of framework mechanical stability due to electrostatic interactions; and (2) transformation and shielding of the otherwise highly hydrophilic nodes from H-bonding interactions with free water, presumably leading to weaker channel-stressing capillary forces during water evacuation – consistent with trends in free energies of dehydration across the NU-1000 variants. Water harvesting and hydrolysis of chemical warfare agent simulants were examined to gauge the functional consequences of modification and mechanical stabilization of NU-1000 by Facac ligands. The studies revealed a harvesting capacity of ~1.1 L of water vapor per gram of Facac-NU-1000 per sorption cycle. They also revealed retention of catalytic MOF activity following 20 water uptake and release cycles. This study provides insights into the basis for node-ligand-engendered stabilization of wide-channel MOFs against collapse during water removal.

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

Effect of surface modification on silica supported Ti catalysts for cyclohexene oxidation with vapor-phase hydrogen peroxide

Surface modification via grafting of organic moieties on a Lewis acid catalyst (silica supported Ti catalyst, Ti-SiO 2 ) alters the activation of H 2 O 2 in vapor-phase cyclohexene epoxidation. Grafting a fluorous group (1H,1H-perfluoro-octyl) suppresses activity of Ti-SiO 2 . Conversely, grafting either a nonpolar group (octyl) or a polar aprotic group (triethylene glycol monomethyl ether) enhances rates and shifts selectivity toward trans-1,2-cyclohexanediol.

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

Tricyclononenes and tricyclononadienes as efficient monomers for controlled ROMP: understanding structure–propagation rate relationships and enabling facile post-polymerization modification

Grubbs 3rd-generation (G3) pre-catalyst-initiated ring-opening metathesis polymerization (ROMP) remains an indispensable tool in the polymer chemist's toolbox. Tricyclononenes (TCN) and tricyclononadienes (TCND) represent under-explored classes of monomers for ROMP that have the potential to both advance fundamental knowledge (e.g., structure-polymerization kinetics relationships) and serve as practical tools for the polymer chemist (e.g., post-polymerization functionalization). In this work, a library of TCN and TCND imides, monoesters, and diesters, along with their exo-norbornene counterparts, were synthesized to compare their behaviors in G3-initiated ROMP. Real-time 1 H NMR was used to study their polymerization kinetics; propagation rates ( k p ) were extracted for each monomer. To understand the relationships between monomer structure and ROMP propagation rates, density functional theory methods were used to calculate a variety of electronic and steric parameters for each monomer. While electronic parameters (e.g., HOMO energy levels) correlated positively with the measured k p values, steric parameters generally gave improved correlations, which indicates that monomer size and shape are better predictors for k p than electronic parameters for this data set. Furthermore, the TCND diester—which contains an electron-deficient cyclobutene that is resistant to ROMP—and its polymer p(TCND) are shown to be highly reactive toward DBU-catalyzed conjugate addition reactions with thiols, providing a protecting- and activating-group free strategy for post-polymerization modification.

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

Short-Range Correlations and Their Implications for Isospin-Dependent Modification of Nuclear Quark Distributions

The past decade has provided a much clearer picture of the structure of highmomentum components in nucleons, associated with hard, short-distance interactions between pairs of nucleons. Recent Jefferson Lab data on light nuclei suggest a connection between these so-called ’short-range correlations’ and the modification of the quark structure of nucleons in the nuclear environment. In light of this discovery that the detailed nuclear structure is important in describing the nuclear quark distributions, we examine the potential impact of the isospin-dependent structure of nuclei to see at what level this might yield flavor-dependent effects in nuclear quark distributions.

Arrington, John↗
DOE OSTI2013

Switching of localized surface plasmon resonance of gold nanoparticles on a GeSbTe film mediated by nanoscale phase change and modification of surface morphology

As a platform for active nanophotonics, localized surface plasmon resonance (LSPR) switching via interaction with a chalcogenide phase change material (GeSbTe) was investigated. We performed single-particle spectroscopy of gold nanoparticles placed on a GeSbTe thin film. By irradiation with a femtosecond pulsed laser for amorphization and a continuous wave laser for crystallization, significant switching behavior of the LSPR band due to the interaction of GeSbTe was observed. The switching mechanism was explained in terms of both a change in the refractive index and a modification of surface morphology accompanying volume expansion and reduction of GeSbTe.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2014

Electron-phonon coupling modification and carrier mobility enhancement in poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate) films by ultraviolet irradiation

The effect of ultraviolet irradiation on the electrical property of poly(3,4-ethylenedioxythiophene) doped with poly(4-styrenesulfonate) (PEDOT:PSS) films was examined. It is shown that the carrier mobility increases while the carrier density does not change substantially. The carrier mobility in PEDOT:PSS samples exhibits strong temperature dependence, indicating the dominance of tunneling (hopping) at low (high) temperatures. The results demonstrate that changes in the chemical structure may lead to the modification of the electron-phonon coupling, thus increasing the carrier mobility in PEDOT:PSS.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

Large voltage-induced modification of spin-orbit torques in Pt/Co/GdOx

We report on large modifications of current-induced spin-orbit torques in a gated Pt/Co/Gd-oxide microstrip due to voltage-driven O{sup 2−} migration. The Slonczewski-like and field-like torques are quantified using a low-frequency harmonic technique based on the polar magneto-optical Kerr effect. Voltage-induced oxidation of Co enhances the Slonczewski-like torque by as much as an order of magnitude and simultaneously reduces the anisotropy energy barrier by a factor of ∼5. Such magneto-ionic tuning of interfacial spin-orbit effects may significantly enhance the efficiency of magnetization switching and provide additional degrees of freedom in spintronic devices.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Highly transparent conductive electrode with ultra-low HAZE by grain boundary modification of aqueous solution fabricated alumina-doped zinc oxide nanocrystals

Commercial production of transparent conducting oxide (TCO) polycrystalline films requires high electrical conductivity with minimal degradation in optical transparency. Aqueous solution deposited TCO films would reduce production costs of TCO films but suffer from low electrical mobility, which severely degrades both electrical conductivity and optical transparency in the visible spectrum. Here, we demonstrated that grain boundary modification by ultra-violet laser crystallization (UVLC) of solution deposited aluminium-doped zinc oxide (AZO) nanocrystals results in high Hall mobility, with a corresponding dramatic improvement in AZO electrical conductance. The AZO films after laser irradiation exhibit electrical mobility up to 18.1 cm{sup 2} V{sup −1} s{sup −1} with corresponding electrical resistivity and sheet resistances as low as 1 × 10{sup −3} Ω cm and 75 Ω/sq, respectively. The high mobility also enabled a high transmittance (T) of 88%-96% at 550 nm for the UVLC films. In addition, HAZE measurement shows AZO film scattering transmittance as low as 1.8%, which is superior over most other solution deposited transparent electrode alternatives such as silver nanowires. Thus, AZO films produced by the UVLC technique have a combined figure of merit for electrical conductivity, optical transparency, and optical HAZE higher than other solution based deposition techniques and comparable to vacuumed based deposition methods.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Improved confinement in high-density H-modes via modification of the plasma boundary with lower hybrid wavesa)

Injecting Lower Hybrid Range of Frequency (LHRF) waves into Alcator C-Mod's high-density H-mode plasmas has led to enhanced global energy confinement by increasing pedestal temperature and pressure gradients, decreasing the separatrix density, modifying the pedestal radial electric field and rotation, and decreasing edge turbulence. These experiments imply that edge LHRF can be used as an actuator to increase energy confinement via modification of boundary quantities. H 98 -factor increases of up to ~35% (e.g., H 98 from 0.75 to 1.0) are seen when moderate amounts of LH power (P LH /P tot ~0.15) are applied to H-modes of densities $\overline{n}$ e ~3 × 10 20 m –3 , corresponding to values ~0.5 of the Greenwald density. However, the magnitude of the improvement is reduced if the confinement quality of the target H-mode plasma is already good (i.e., H 98 target ~ 1). Ray-tracing modeling and accessibility calculations for the LH waves indicate that they do not penetrate to the core. The LHRF power appears to be deposited in plasma boundary region, with a large fraction of the injected power increment appearing promptly on the outer divertor target. There is no evidence that the LH waves are driving current in these plasmas. The LHRF-actuated improvements are well correlated with suppressed pedestal density fluctuations in the 100–300 kHz range. Additionally, there is a correlation between the improved confinement and a drop in separatrix density, a correlation that is consistent with previous H-mode results with no LHRF.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Self-oscillating AB diblock copolymer developed by post modification strategy

We prepared AB diblock copolymer composed of hydrophilic poly(ethylene oxide) segment and self-oscillating polymer segment. In the latter segment, ruthenium tris(2,2′-bipyridine) (Ru(bpy){sub 3}), a catalyst of the Belousov-Zhabotinsky reaction, is introduced into the polymer architecture based on N-isopropylacrylamide (NIPAAm). The Ru(bpy){sub 3} was introduced into the polymer segment by two methods; (i) direct random copolymerization (DP) of NIPAAm and Ru(bpy){sub 3} vinyl monomer and (ii) post modification (PM) of Ru(bpy){sub 3} with random copolymer of NIPAAm and N-3-aminopropylmethacrylamide. For both the diblock copolymers, a bistable temperature region (the temperature range; ΔT{sub m}), where the block copolymer self-assembles into micelle at reduced Ru(bpy){sub 3}{sup 2+} state whereas it breaks-up into individual polymer chain at oxidized Ru(bpy){sub 3}{sup 3+} state, monotonically extends as the composition of the Ru(bpy){sub 3} increases. The ΔT{sub m} of the block copolymer prepared by PM is larger than that by DP. The difference in ΔT{sub m} is rationalized from the statistical analysis of the arrangement of the Ru(bpy){sub 3} moiety along the self-oscillating segments. By using the PM method, the well-defined AB diblock copolymer having ΔT{sub m} (ca. 25 °C) large enough to cause stable self-oscillation can be prepared. The periodic structural transition of the diblock copolymer in a dilute solution ([Polymer] = 0.1 wt. %) is closely investigated in terms of the time-resolved dynamic light scattering technique at constant temperature in the bistable region. A macroscopic viscosity oscillation of a concentrated polymer solution (15 wt. %) coupled with the periodic microphase separation is also demonstrated.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Ablation dynamics in wire array Z-pinches under modifications on global magnetic field topology

The dynamics of ablation streams and precursor plasma in cylindrical wire array Z-pinches under temporal variations of the global magnetic field topology is investigated through experiments and numerical simulations. The wire arrays in these experiments are modified by replacing a pair of consecutive wires with wires of a larger diameter. This modification leads to two separate effects, both of which impact the dynamics of the precursor plasma; firstly, current is unevenly distributed between the wires and secondly, the thicker wires take longer to fully ablate. The uneven distribution of current is evidenced in the experiments by the drift of the precursor off axis due to a variation in the global magnetic field topology which modifies the direction of the ablation streams tracking the precursor position. The variation of the global magnetic field due to the presence of thick wires is studied with three-dimensional magnetohydrodynamic (MHD) simulations, showing that the global field changes from the expected toroidal field to a temporally variable topology after breakages appear in the thin wires. This leads to an observed acceleration of the precursor column towards the region closer to the thick wires and later, when thick wires also present breakages, it continues moving away from the original array position as a complicated and disperse object subject to MHD instabilities.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Laser surface modification of medical grade alloys for reduced heating in a magnetic resonance imaging environment

Nanoscale surface modification of medical grade metallic alloys was conducted using a neodymium-doped yttrium aluminum garnet laser-based dopant diffusion technique. The objective of this approach was to minimize the induction heating by reducing the absorbed radio frequency field. Such an approach is advantageous in that the dopant is diffused into the alloy and is not susceptible to detachment or spallation as would an externally applied coating, and is expected to not deteriorate the mechanical and electrical properties of the base alloy or device. Experiments were conducted using a controlled environment laser system with the ability to control laser properties (i.e., laser power, spot size, and irradiation time) and dopant characteristics (i.e., temperature, concentration, and pressure). The reflective and transmissive properties of both the doped and untreated samples were measured in a radio frequency (63.86 MHz) magnetic field using a system comprising a high power signal generator, a localized magnetic field source and sensor, and a signal analyzer. The results indicate an increase in the reflectivity of the laser-treated samples compared to untreated samples. The effect of reflectivity on the heating of the alloys is investigated through a mathematical model incorporating Maxwell’s equations and heat conduction.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Radiative rate modification in CdSe quantum dot-coated microcavity

Whispering gallery modes (WGMs) of the microparticles with spherical or cylindrical symmetry have exceptionally high quality factors and small mode volume. Quantum dots (QDs) are zero dimensional systems with variable band gap as well as luminescent properties with applications in photonics. In this paper, the WGMs have been observed in the luminescence spectra of CdSe QD-coated single silica microspheres. Theoretical estimations of variation of resonance frequency, electric field, and Q-values have been done for a multilayer coating of QDs on silica microspheres. Observed WGMs have been identified for their mode number and polarization using Mie theory. Broadening of modes due to material absorption has been observed. Splitting of WGMs has also been observed due to coherent coupling of counter propagating waves in the microcavity due to the presence of QDs. At room temperature, the time-resolved study indicates the modification of the radiative rate due to coupling of WGMs of the microcavity-QD hybrid system.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Effects of laser fluence on silicon modification by four-beam laser interference

This paper discusses the effects of laser fluence on silicon modification by four-beam laser interference. In this work, four-beam laser interference was used to pattern single crystal silicon wafers for the fabrication of surface structures, and the number of laser pulses was applied to the process in air. By controlling the parameters of laser irradiation, different shapes of silicon structures were fabricated. The results were obtained with the single laser fluence of 354 mJ/cm{sup 2}, 495 mJ/cm{sup 2}, and 637 mJ/cm{sup 2}, the pulse repetition rate of 10 Hz, the laser exposure pulses of 30, 100, and 300, the laser wavelength of 1064 nm, and the pulse duration of 7–9 ns. The effects of the heat transfer and the radiation of laser interference plasma on silicon wafer surfaces were investigated. The equations of heat flow and radiation effects of laser plasma of interfering patterns in a four-beam laser interference distribution were proposed to describe their impacts on silicon wafer surfaces. The experimental results have shown that the laser fluence has to be properly selected for the fabrication of well-defined surface structures in a four-beam laser interference process. Laser interference patterns can directly fabricate different shape structures for their corresponding applications.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗