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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 559 records · Page 31
All sourcesNASA NTRSDOE OSTI
DOE OSTI2017

Buckling Instabilities in Polymer Brush Surfaces via Postpolymerization Modification

We report a simple route to engineer ultrathin polymer brush surfaces with wrinkled morphologies using postpolymerization modification (PPM), where the length scale of the buckled features can be tuned using PPM reaction time. Here, we show that partial crosslinking of the outer layer of the polymer brush under poor solvent conditions is critical to obtain wrinkled morphologies upon swelling.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Biocompatibility of NbTaTiVZr with Surface Modifications for Osteoblasts

Here, we report a potential biomedical material, NbTaTiVZr, and the impact of surface roughness on the osteoblast culture and later behavior based on in vitro tests of preosteoblasts. Cell activities such as adhesion, viability, and typical protein activity on NbTaTiVZr showed comparable results with that of commercially pure Ti (CP-Ti). In addition, NbTaTiVZr with a smooth surface exhibits better cell adhesion, viability, and typical protein activity which shows that surface modification can improve the biocompatibility of NbTaTiVZr. This supports the biological evidence and shows that NbTaTiVZr can potentially be evaluated as a biomedical material for clinical use.

59 BASIC BIOLOGICAL SCIENCES↗
DOE OSTI2019

Mechanistic Basis for Ribosomal Peptide Backbone Modifications

YcaO enzymes are known to catalyze the ATP-dependent formation of azoline heterocycles, thioamides, and (macro)lactamidines on peptide substrates. These enzymes are found in multiple biosynthetic pathways, including those for several different classes of ribosomally synthesized and post-translationally modified peptides (RiPPs). However, there are major knowledge gaps in the mechanistic and structural underpinnings that govern each of the known YcaO-mediated modifications. Here, we present the first structure of any YcaO enzyme bound to its peptide substrate in the active site, specifically that from Methanocaldococcus jannaschii which is involved in the thioamidation of the α-subunit of methyl-coenzyme M reductase (McrA). The structural data are leveraged to identify and test the residues involved in substrate binding and catalysis by site-directed mutagenesis. We also show that thioamide-forming YcaOs can carry out the cyclodehydration of a related peptide substrate, which underscores the mechanistic conservation across the YcaO family and allows for the extrapolation of mechanistic details to azoline-forming YcaOs involved in RiPP biosynthesis. A bioinformatic survey of all YcaOs highlights the diverse sequence space in azoline-forming YcaOs and suggests their early divergence from a common ancestor. The data presented within provide a detailed molecular framework for understanding this family of enzymes, which reconcile several decades of prior data on RiPP cyclodehydratases. These studies also provide the foundational knowledge to impact our mechanistic understanding of additional RiPP biosynthetic classes.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Precision surface modification of solid oxide fuel cells via layer-by-layer surface sol–gel deposition

While solid oxide fuel cells (SOFCs) are a promising technology for a clean and sustainable future, their commercialization is hindered by limited durability and performance. Here, we report our findings on the application of a layer-by-layer surface sol–gel (SSG) coating of catalysts to dramatically enhance the electro-catalytic activity and durability of SOFC cathodes. The SSG process is capable of penetrating and preserving complex backbone microstructures of porous electrodes, creating highly conformal coatings of controlled morphology, while tailoring the composition of the surface to improve catalytic properties and durability. For example, the application of an SSG coating of PrO x to a La 0.6 Sr 0.4 Co 0.2 Fe 0.8 O 3–δ (LSCF) cathode has reduced the polarization resistance from 1.136 to 0.117 Ω cm 2 at 600 °C and the degradation rate from 1.13 × 10 –3 to 2.67 × 10 –4 Ω cm 2 h –1 at 650 °C. In addition, a continuous improvement in electrode performance is demonstrated as the thickness of the coating is increased, corresponding to the linear addition of catalyst. Furthermore, this first application of the SSG technique to SOFC systems opens the door for the controlled surface modification of porous components in electrochemical systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Local modification of the magnetic vortex-core velocity by gallium implantation

The dynamics of magnetic vortices in microsquares with local modifications of magnetic parameters and thickness are investigated. By implanting gallium ions with focussed ion beam into permalloy thin-film elements, we have locally tailored their magnetic properties and the layer thickness. The vortex of the Landau domain pattern of a square is resonantly excited to a gyrotropic motion and crosses regions with and without implantation. With time-resolved scanning transmission x-ray microscopy, we observe an abrupt change in the vortex velocity close to the borders between the two regions.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Origin of mechanical modifications in poly (ether ether ketone)/carbon nanotube composite

Variations in the hardness of a poly (ether ether ketone) beam electrically modified with multi-walled carbon nanotubes (MWCNT, 0.5%-3%) are investigated. It is shown that both rupture and hardness variations correlate with the changes in carbon nanotube concentration when using micro indentation and extended Raman imaging. Statistical analysis of the relative spectral intensities in the Raman image is used to estimate local tube concentration and polymer crystallinity. We show that the histogram of the Raman D band across the image provides information about the amount of MWCNTs and the dispersion of MWCNTs in the composite. We speculate that we have observed a local modification of the ordering between pure and modified polymer. This is partially supported by small angle neutron scattering measurements, which indicate that the agglomeration state of the MWCNTs is the same at the concentrations studied.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Grain boundary barrier modification due to coupling effect of crystal polar field and water molecular dipole in ZnO-based structures

Surface water molecules induced grain boundaries (GBs) barrier modification was investigated in ZnO and ZnMgO/ZnO films. Tunable electronic transport properties of the samples by water were characterized via a field effect transistor (FET) device structure. The FETs fabricated from polar C-plane ZnO and ZnMgO/ZnO films that have lots of GBs exhibited obvious double Schottky-like current-voltage property, whereas that fabricated from nonpolar M-plane samples with GBs and ZnO bulk single-crystal had no obvious conduction modulation effects. Physically, these hallmark properties are supposed to be caused by the electrostatical coupling effect of crystal polar field and molecular dipole on GBs barrier.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Influence of grain boundary modification on limited performance of wide bandgap Cu(In,Ga)Se{sub 2} solar cells

The reason why so-called wide-bandgap CuIn{sub 1−x}Ga{sub x}Se{sub 2} (CIGSe with x > 0.4) based solar cells show hindered performance compared with theoretical expectations is still a matter of debate. In the present Letter, atom probe tomography studies of CuIn{sub 1−x}Ga{sub x}Se{sub 2} polycrystalline thin films with x varying from 0 to 1 are reported. These investigations confirm that the grain boundaries (GBs) of low gallium containing (x < 0.4) CIGSe layers are Cu-depleted compared with grains interior (GI). In contrast, it is observed that the GBs of widest band gap CIGSe films (x > 0.8) are Cu-enriched compared with GI. For intermediate gallium contents (0.4 < x < 0.8), both types of GBs are detected. This threshold value of 0.4 surprisingly coincides with solar cells output voltage deviation from theoretical expectations, which suggests modifications of GBs properties could participate in the loss of photovoltaic performance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Direct tunneling through high-κ amorphous HfO{sub 2}: Effects of chemical modification

We report first principles modeling of quantum tunneling through amorphous HfO{sub 2} dielectric layer of metal-oxide-semiconductor (MOS) nanostructures in the form of n-Si/HfO{sub 2}/Al. In particular, we predict that chemically modifying the amorphous HfO{sub 2} barrier by doping N and Al atoms in the middle region—far from the two interfaces of the MOS structure—can reduce the gate-to-channel tunnel leakage by more than one order of magnitude. Several other types of modification are found to enhance tunneling or induce substantial band bending in the Si, both are not desired from leakage point of view. By analyzing transmission coefficients and projected density of states, the microscopic physics of electron traversing the tunnel barrier with or without impurity atoms in the high-κ dielectric is revealed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2014

Plasmonic modification of electron-longitudinal-optical phonon coupling in Ag-nanoparticle embedded InGaN/GaN quantum wells

Surface plasmon enhanced GaN and InGaN quantum wells (QWs) show promise for use as room-temperature light emitters. The effectiveness of the plasmon enhancement, however, is limited by the strong electron/hole and longitudinal optical phonon coupling found in the III-V nitrides. The electron-phonon coupling within semiconductor QWs has been modified using silver nanoparticles embedded within the QWs. Direct evidence is provided for this change via confocal Raman spectroscopy of the samples. This evidence is augmented by Angle-dependent photoluminescence experiments which show the alteration of the electron-phonon coupling strength through measurement of the emitted phonon replicas. Together these demonstrate a direct modification of carrier-phonon interactions within the system, opening up the possibility of controlling the coupling strength to produce high-efficiency room-temperature light emitters.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Evidence of ion intercalation mediated band structure modification and opto-ionic coupling in lithium niobite

The theoretically suggested band structure of the novel p-type semiconductor lithium niobite (LiNbO{sub 2}), the direct coupling of photons to ion motion, and optically induced band structure modifications are investigated by temperature dependent photoluminescence. LiNbO{sub 2} has previously been used as a memristor material but is shown here to be useful as a sensor owing to the electrical, optical, and chemical ease of lithium removal and insertion. Despite the high concentration of vacancies present in lithium niobite due to the intentional removal of lithium atoms, strong photoluminescence spectra are observed even at room temperature that experimentally confirm the suggested band structure implying transitions from a flat conduction band to a degenerate valence band. Removal of small amounts of lithium significantly modifies the photoluminescence spectra including additional larger than stoichiometric-band gap features. Sufficient removal of lithium results in the elimination of the photoluminescence response supporting the predicted transition from a direct to indirect band gap semiconductor. In addition, non-thermal coupling between the incident laser and lithium ions is observed and results in modulation of the electrical impedance.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Surface modification of multilayer graphene using Ga ion irradiation

The effect of Ga ion irradiation intensity on the surface of multilayer graphene was examined. Using Raman spectroscopy, we determined that the irradiation caused defects in the crystal structure of graphene. The density of defects increased with the increase in dwell times. Furthermore, the strain induced by the irradiation changed the crystallite size and the distance between defects. These defects had the effect of doping the multilayer graphene and increasing its work function. The increase in work function was determined using contact potential difference measurements. The surface morphology of the multilayer graphene changed following irradiation as determined by atomic force microscopy. Additionally, the adhesion between the atomic force microscopy tip and sample increased further indicating that the irradiation had caused surface modification, important for devices that incorporate graphene.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Modifications of chemical functional groups of Pandanus amaryllifolius Roxb and its effect towards biosorption of heavy metals

The utilization of non-living biomass as an alternative biosorbent for heavy metal removal has gain a tremendous consideration through the years. Pandanus amaryllifolius Roxb or pandan leaves, which is widely used as food additives in the South East Asia region, has been selected for its viability in the said effort due to the presence of chemical functional groups on its cellular network that enables the sorption to occur. In order to elucidate the possible mechanisms participated during the heavy metal removal process, the biosorbent undergone a series of modification techniques to alter the chemical functional groups present on its constituent. From the outcome of the chemically-modified biosorbent being subjected to the contact with metal cations, nitrogen- and oxygen-containing groups present on the biosorbent are believed to be responsible for the metal uptake to occur through complexation mechanism. Modifying amine groups causes 14% reduction of Cu(II) uptake, whereas removing protein element increases the uptake to 26% as compared to the unmodified biosorbent. Also, scanning electron micrographs further suggested that the adsorption mechanism could perform in parallel, as attributed to the evidence of porous structure throughout the biosorbent fibrous nature.

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

Modification of the titanium alloy surface in electroexplosive alloying with boron carbide and subsequent electron-beam treatment

The modification of the VT6 titanium alloy surface in electroexplosion alloying with plasma being formed in titanium foil with a weighed powder of boron carbide with subsequent irradiation by a pulsed electron beam has been carried out. An electroexplosive alloying zone of a thickness up to 50 μm with a gradient structure is found to form. The subsequent electron-beam treatment of the alloying zone results in smoothing of the alloying surface and is accompanied by the formation of the multilayer structure with alternating layers of various alloying degree at a depth of 30 μm.

36 MATERIALS SCIENCE↗
DOE OSTI2016

An estimation of impact of anthropogenic aerosols in atmosphere of Tirana on solar insolation. Part II: Modification of solar energy potential

Change of irradiative properties of the atmosphere during clear days is an indicator, among others, of existence of atmospheric aerosols and can be used as an indicator for assessment both air pollution and local modifications of solar energy potentials. The main objective of this study is estimation of influence of anthropogenic aerosols on solar energy falling in a horizontal surface during a cloudless day. We have analyzed and quantified the effect of aerosols on reducing the amount of solar energy that falls on the horizontal ground surface in cloudless sky conditions, estimating temporal evolution, both in daily and hour scale, considering also, side effects caused by relative humidity of the air wind speed and geometric factor. As an indicator of concentration of aerosols in atmosphere, we agreed to use the attenuation of solar radiation after the last rainy day. All data were corrected by factors such as, variations of relative humidity, wind speed and daily change of incident angle of solar radiation. We studied the change of solar insolation in three sites with different traffic intensity, one in city of Shkodra and two in city of Tirana. Fifteen days after last rainy day, approximate time needed to achieve saturation, the insolation drops only 3.1% in the city of Shkodra, while in two sites in city of Tirana are 8.5 % and 18.4%. These data show that reduction of solar insolation is closely related with anthropogenic activity, mainly traffic around the site of the meteorological station. The day to day difference tends to decrease with increasing of number of days passed from the last rainy day, which is an evidence of a trend toward a dynamic equilibrium between decantation process of aerosols during the night and their generation during the day.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2016

Controlled nanopatterning & modifications of materials by energetic ions

Compound semiconductors (InP, InAs and GaSb) has been exposed to energetic 3 keV Ar{sup +} ions for a varying fluence range of 10{sup 13} ions/cm{sup 2} to 10{sup 18} ions/cm{sup 2} at room temperature. Morphological modifications of the irradiated surfaces have been investigated by Scanning Tunneling Microscopy (STM) in UHV conditions. It is observed that InP and GaSb have fluence dependent nanopattering e.g. nanoneedle, aligned nanodots, superimposed nanodots ripple like structures while InAs has little fluence dependent behaviour indicating materials dependent growth of features on irradiated surfaces. Moreover, surface roughness and wavelength of the features are also depending on the materials and fluences. The RMS surface roughness has been found to be increased rapidly in the early stage of irradiation followed by slower escalate rate and later tends to saturate indicating influence of the nonlinear processes.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2016

The modification of the structure of multilayer Co/Pt films by the irradiation with a focused helium ion beam

We report here on the possibility of a local modification of Co/Pt multilayered magnetic films by focused ion beam irradiation. The changes of structural and magnetic properties are experimentally investigated as a function of irradiation fluence. The method is used to form lateral structures with the periods up to 100 nm. The magnetic force microscopy accompanied by Hall effect measurements of the structure indicate the formation of magnetic skyrmion lattices in the absence of Dzyaloshinskii-Moriya interaction.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗