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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 1,729 records · Page 96
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Difference in chemical reactions in bulk plasma and sheath regions during surface modification of graphene oxide film using capacitively coupled NH{sub 3} plasma

Reduced graphene oxide (r-GO) films were obtained from capacitively coupled NH{sub 3} plasma treatment of spin-coated graphene oxide (GO) films at room temperature. Variations were evaluated according to the two plasma treatment regions: the bulk plasma region (R{sub bulk}) and the sheath region (R{sub sheath}). Reduction and nitridation of the GO films began as soon as the NH{sub 3} plasma was exposed to both regions. However, with the increase in treatment time, the reduction and nitridation reactions differed in each region. In the R{sub bulk}, NH{sub 3} plasma ions reacted chemically with oxygen functional groups on the GO films, which was highly effective for reduction and nitridation. While in the R{sub sheath}, physical reactions by ion bombardment were dominant because plasma ions were accelerated by the strong electrical field. The accelerated plasma ions reacted not only with the oxygen functional groups but also with the broken carbon chains, which caused the removal of the GO films by the formation of hydrocarbon gas species. These results showed that reduction and nitridation in the R{sub bulk} using capacitively coupled NH{sub 3} plasma were very effective for modifying the properties of r-GO films for application as transparent conductive films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Spectral modification of the laser emission of a terahertz quantum cascade laser induced by broad-band double pulse injection seeding

We demonstrate by injection seeding that the spectral emission of a terahertz (THz) quantum cascade laser (QCL) can be modified with broad-band THz pulses whose bandwidths are greater than the QCL bandwidth. Two broad-band THz pulses delayed in time imprint a modulation on the single THz pulse spectrum. The resulting spectrum is used to injection seed the THz QCL. By varying the time delay between the THz pulses, the amplitude distribution of the QCL longitudinal modes is modified. By applying this approach, the QCL emission is reversibly switched from multi-mode to single mode emission.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

A crude model to study radio frequency induced density modification close to launchers

The interplay between radio frequency (RF) waves and the density is discussed by adopting the general framework of a 2-time-scale multi-fluid treatment, allowing to separate the dynamics on the RF time scale from that on the time scale on which macroscopic density and flows vary as a result of the presence of electromagnetic and/or electrostatic fields. The focus is on regions close to launchers where charge neutrality is incomplete and waves are commonly evanescent. The fast time scale dynamics influences the slow time scale behavior via quasilinear terms (the Ponderomotive force for the case of the equation of motion). Electrons and ions are treated on the same footing. Also, both fast and slow waves are retained in the wave description. Although this work is meant as a subtopic of a large study—the wave induced “convective cell” physics at hand is of a 2- or 3-dimensional nature while this paper limits itself to a single dimension—a few tentative examples are presented.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Electron-ion plasma modification of Al-based alloys

The paper reports on the study where we analyzed the surface structure and strength properties of coated Al alloys modified by electron-ion plasma treatment. The Al alloys were deposited with a thin (≈0.5 μm) TiCu film coating (TiCu-Al system) and with a hard TiCuN coating (TiCuN–AlSi system) on a TRIO vacuum setup in the plasma of low-pressure arc discharges. The temperature fields and phase transformations in the film–substrate system were estimated by numerical simulation in a wide range of electron energy densities (5–30 J/cm{sup 2}) and pulse durations (50–200 μs). The calculations allowed us to determine the threshold energy density and pulse duration at which the surface structure of the irradiated Al-based systems is transformed in a single-phase state (solid or liquid) and in a two-phase state (solid plus liquid). The elemental composition, defect structure, phase state, and lattice state in the modified surface layers were examined by optical, scanning, and transmission electron microscopy, and by X-ray diffraction analysis. The mechanical characteristics of the modified layers were studied by measuring the hardness and Young’s modulus. The tribological properties of the modified layers were analyzed by measuring the wear resistance and friction coefficient. It is shown that melting and subsequent high-rate crystallization of the TiCu–Al system makes possible a multiphase Al-based surface structure with the following characteristics: crystallite size ranging within micrometer, microhardness of more than 3 times that in the specimen bulk, and wear resistance ≈1.8 times higher compared to the initial material. Electron beam irradiation of the TiCuN–AlSi system allows fusion of the coating into the substrate, thus increasing the wear resistance of the material ≈2.2 times at a surface hardness of ∼14 GPa.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modification of the G-phonon mode of graphene by nitrogen doping

The effect of nitrogen doping on the phonon spectra of graphene is analyzed. In particular, we employ first-principles calculations and scanning Raman analysis to investigate the dependence of phonon frequencies in graphene on the concentration of nitrogen dopants. We demonstrate that the G phonon frequency shows oscillatory behavior as a function of nitrogen concentration. We analyze different mechanisms which could potentially be responsible for this behavior, such as Friedel charge oscillations around the localized nitrogen impurity atom, the bond length change between nitrogen impurity and its nearest neighbor carbon atoms, and the long-range interactions of the nitrogen point defects. We show that the bond length change and the long range interaction of point defects are possible mechanisms responsible for the oscillatory behavior of the G frequency as a function of nitrogen concentration. At the same time, Friedel charge oscillations are unlikely to contribute to this behavior.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Evolution of nano-rheological properties of Nafion{sup ®} thin films during pH modification by strong base treatment: A static and dynamic force spectroscopy study

Addition of a strong base to Nafion{sup ®} proton exchange membranes is a common practice in industry to increase their overall performance in fuel cells. Here, we investigate the evolution of the nano-rheological properties of Nafion thin films as a function of the casting pH, via characterization with static and dynamic, contact and intermittent-contact atomic force microscopy (AFM) techniques. The addition of KOH causes non-monotonic changes in the viscoelastic properties of the films, which behave as highly dissipative, softer materials near neutral pH values, and as harder, more elastic materials at extreme pH values. We quantify this behavior through calculation of the temporal evolution of the compliance and the glassy compliance under static AFM measurements. We complement these observations with dynamic AFM metrics, including dissipated power and virial (for intermittent-contact-mode measurements), and contact resonance frequency and quality factor (for dynamic contact-mode measurements). We explain the non-monotonic material property behavior in terms of the degree of ionic crosslinking and moisture content of the films, which vary with the addition of KOH. This work focuses on the special case study of the addition of strong bases, but the observed mechanical property changes are broadly related to water plasticizing effects and ionic crosslinking, which are also important in other types of films.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Inverted polymer solar cells with enhanced fill factor by inserting the potassium stearate interfacial modification layer

A thin potassium stearate (KSt) film combined with an optimized ZnO film was introduced to improve the fill factor (FF) of highly efficient inverted polymer solar cells (PSCs). Atomic force microscopy and contact angle measurements were used to show that the introduction of KSt did not change the morphology of interlayer. On the contrary, it is beneficial for the spread of the active layer on the interlayer. The origin of enhanced FF was systematically studied by the ideal current-voltage model for a single heterojunction solar cell and electrochemical impedance spectroscopy. On the basis of the data analysis, the reduced charge recombination loss was responsible for this improved FF. At last, when KSt was replaced by sodium stearate (NaSt), the similar experiment phenomenon was observed. This indicates that inserting a metallic stearate modified layer is a promising strategy to enhance inverted PSCs performance.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Modification of electronic properties of graphene by using low-energy K{sup +} ions

Despite its superb electronic properties, the semi-metallic nature of graphene with no band gap (E{sub g}) at the Dirac point has been a stumbling block for its industrial application. We report an improved means of producing a tunable band gap over other schemes by doping low energy (10 eV) potassium ions (K{sup +}) on single layer graphene formed on 6H-SiC(0001) surface, where the noble Dirac nature of the π-band remains almost unaltered. The changes in the π-band induced by K{sup +} ions reveal that the band gap increases gradually with increasing dose (θ) of the ions up to E{sub g} = 0.65 eV at θ = 1.10 monolayers, demonstrating the tunable character of the band gap. Our core level data for C 1s, Si 2p, and K 2p suggest that the K{sup +}-induced asymmetry in charge distribution among carbon atoms drives the opening of band gap, which is in sharp contrast with no band gap when neutral K atoms are adsorbed on graphene. This tunable K{sup +}-induced band gap in graphene illustrates its potential application in graphene-based nano-electronics.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

G4CEP: A G4 theory modification by including pseudopotential for molecules containing first-, second- and third-row representative elements

The G4CEP composite method was developed from the respective G4 all-electron version by considering the implementation of compact effective pseudopotential (CEP). The G3/05 test set was used as reference to benchmark the adaptation by treating in this work atoms and compounds from the first and second periods of the periodic table, as well as representative elements of the third period, comprising 440 thermochemical data. G4CEP has not reached a so high level of accuracy as the G4 all-electron theory. G4CEP presented a mean absolute error around 1.09 kcal mol{sup −1}, while the original method presents a deviation corresponding to 0.83 kcal mol{sup −1}. The similarity of the optimized molecular geometries between G4 and G4CEP indicates that the core-electron effects and basis set adjustments may be pointed out as a significant factor responsible for the large discrepancies between the pseudopotential results and the experimental data, or even that the all-electron calculations are more efficient either in its formulation or in the cancellation of errors. When the G4CEP mean absolute error (1.09 kcal mol{sup −1}) is compared to 1.29 kcal mol{sup −1} from G3CEP, it does not seem so efficient. However, while the G3CEP uncertainty is ±4.06 kcal mol{sup −1}, the G4CEP deviation is ±2.72 kcal mol{sup −1}. Therefore, the G4CEP theory is considerably more reliable than any previous combination of composite theory and pseudopotential, particularly for enthalpies of formation and electron affinities.

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

Tailoring the photoluminescence polarization anisotropy of a single InAs quantum dash by a post-growth modification of its dielectric environment

Excitonic emission from single InAs/InGaAlAs/InP quantum dashes has been investigated in terms of controlling the polarization anisotropy by altering the shape of the processed sub-micrometer mesa structures. Photoluminescence has been measured from exemplary single quantum dashes emitting around 1.3 and 1.55 μm and placed inside rectangular mesas of various orientation, asymmetry, and sizes. The detected degree of linear polarization of bright exciton emission ranges from −0.1 to ca. 0.55, compared to 0.25 for dashes in unaltered or isotropic in-plane dielectric surrounding. These results are interpreted by numerical simulations using an emitter coupled with a single optical mode in such a mesa and outgoing in the direction normal to the sample surface.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Modifications to the synthetic aperture microwave imaging diagnostic

The synthetic aperture microwave imaging diagnostic has been operating on the MAST experiment since 2011. It has provided the first 2D images of B-X-O mode conversion windows and showed the feasibility of conducting 2D Doppler back-scattering experiments. The diagnostic heavily relies on field programmable gate arrays to conduct its work. Recent successes and newly gained experience with the diagnostic have led us to modify it. The enhancements will enable pitch angle profile measurements, O and X mode separation, and the continuous acquisition of 2D DBS data. Finally, the diagnostic has also been installed on the NSTX-U and is acquiring data since May 2016.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2017

Modification of defects and potential fluctuations in slow-cooled and quenched Cu 2 ZnSnSe 4 single crystals

Recent literature reports have shown the ability to manipulate Cu-Zn cation ordering for Cu 2 ZnSnSe 4 (CZTSe) via low temperature treatments. Theoretical arguments suggest that one of the major roadblocks to higher V OC —significant band tailing—could be improved with increased cation order; however, few direct measurements have been reported and significant device improvements have not yet been realized. This paper investigates electrical properties, defects, and devices from quenched and slow-cooled single crystals of CZTSe. The extent of disorder was characterized by Raman spectroscopy as well as x-ray diffraction, where the change in Cu-Zn order can be detected by a changing c/a ratio. Quenched samples show higher acceptor concentrations, lower hole mobilities, and a lower-energy photoluminescence (PL) peak than crystals cooled at slower rates, consistent with a reduction in the bandgap. In addition, samples quenched at the highest temperatures showed lower PL yield consistent with higher quantities of deep defects. Devices fabricated using slow-cooled CZTSe single crystals showed improved efficiencies, most notably with increased V OC ; however, low temperature intensity-dependent photoluminescence measurements continue to indicate the existence of potential fluctuations. We discuss the possibility that potential fluctuations in slow-cooled samples may be related to the inability to achieve a long range order of the Cu-Zn sub-lattice resulting in local regions of high and low levels of cation order, and consequent local variations in the bandgap. Finally, the presence of significant potential fluctuations, even after the slow-cooling step, suggests the difficulty in eliminating band-tailing in this system, and thus, additional approaches may be needed for significant reduction of the V OC deficit.

36 MATERIALS SCIENCE↗
DOE OSTI2018

Controlling the surface photovoltage on WSe 2 by surface chemical modification

The surface photovoltage (SPV) effect is key to the development of opto-electronic devices such as solar-cells and photo-detectors. For the prototypical transition metal dichalcogenide WSe 2 , core level and valence band photoemission measurements show that the surface band bending of pristine cleaved surfaces can be readily modified by adsorption with K (an electron donor) or C 60 (an electron acceptor). Time-resolved pump-probe photoemission measurements reveal that the SPV for pristine cleaved surfaces is enhanced by K adsorption, but suppressed by C 60 adsorption, and yet the SPV relaxation time is substantially shortened in both cases. Evidently, adsorbate-induced electronic states act as electron-hole recombination centers that shorten the carrier lifetime.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2019

Ion temperature gradient turbulence modification in quasi-axisymmetry

The large flexibility of the proposed QUASAR facility is leveraged in order to explore the effect of magnetic shear on adiabatic Ion Temperature Gradient (ITG) turbulence. The QUASAR facility is a reimagining of the National Compact Stellarator Experiment utilizing and expanding upon the already constructed coil set. Recent work using fixed boundary optimization of the LI383 equilibrium (upon which QUASAR is based) has suggested possible improvements to ITG turbulence. In this work, a different approach is taken, wherein a series of self-consistent free boundary VMEC equilibria are developed for QUASAR. These equilibria assume temperature and density profiles consistent with 2% beta and ohmic current drive. In each configuration, the toroidal field coils are energized to different values and the STELLOPT code is used to vary the modular coil current and net toroidal current. The edge value of rotational transform is targeted in the optimization, producing a magnetic shear scan. All these configurations share similar neoclassical transport levels, while nonlinear GENE flux tube simulations show up to a factor of four change in adiabatic ITG turbulence at various radii. Comparisons of proxy functions and linear flux tube runs are also made. This work highlights the capability of the QUASAR experiment as a tool to explore transport in 3D magnetic fields and the possibility of the further improvements to stellarators through optimization.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Modification of classical electron transport due to collisions between electrons and fast ions

A Fokker-Planck model for the interaction of fast ions with the thermal electrons in a quasineutral plasma is developed. When the fast ion population has a net flux (i.e., the distribution of fast ions is anisotropic in velocity space), the electron distribution function is perturbed from Maxwellian by collisions with the fast ions, even if the fast ion density is orders of magnitude smaller than the electron density. The Fokker-Planck model is used to derive classical electron transport equations (a generalized Ohm's law and a heat flow equation) that include the effects of the electron-fast ion collisions. It is found that these collisions result in a collisionally induced current term in the transport equations which can be significant. Finally, the new transport equations are analyzed in the context of a number of scenarios including α particle heating in inertial confinement fusion and magnetoinertial fusion plasmas as well as ion beam heating of dense plasmas.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Modifications produced on a large magnetized plasma column by a floating end-plate that is partially emissive: Experiment and theory

An experiment is performed on a large plasma device operated by the Basic Plasma Science Facility at the University of California, Los Angeles, in which an electrically floating structure is placed near the end of the 18-m magnetized plasma column. The structure consists of a flat carbon plate that acts as a mask for a smaller, ring-shaped LaB6 emissive surface whose temperature can be externally controlled. This configuration has been previously used to study electron heat transport and pressure-driven avalanches [B. Van Compernolle and G. J. Morales, Phys. Plasmas 24, 112302 (2017)] by biasing the LaB6 ring-cathode with respect to a distant anode in a cold afterglow plasma. In contrast, the present study is performed during the active portion of the steady-state discharge in which the nominal plasma parameters are determined by the injection of an electron beam from a BaO cathode at the opposite end. It is found that, even without an applied bias on the LaB6 cathode, the self-consistent potential and current profiles are modified near the end plate as the LaB6 temperature is increased, resulting in density increases on the field lines in contact with the ring-cathode. In the absence of enhanced ionization, at the largest cathode temperatures, the ambient density can be doubled. A theoretical model is presented that provides a quantitative explanation for the experimental observations.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Modification of magnetocrystalline anisotropy via ion-implantation

The ability to systematically modify the magnetic properties of epitaxial La 0.7 Sr 0.3 MnO 3 thin films is demonstrated through the use of Ar + ion implantation. With increasing implant dose, a uniaxial expansion of the c-axis of the unit cell leads to a transition from in-plane toward perpendicular magnetic anisotropy. Above a critical dose of 3 × 10 13 Ar + /cm 2 , significant crystalline disorder exists leading to a decrease in the average Mn valence state and near complete suppression of magnetization. Combined with lithographic techniques, ion implantation enables the fabrication of magnetic spin textures consisting of adjacent regions with tunable magnetic anisotropy in complex oxide thin films.

36 MATERIALS SCIENCE↗
DOE OSTI2020

Acceptor dopant mediated electrical property modification in Bi0.5Na0.5TiO3-based piezoceramic

The effect of Mn and Fe dopants on the electromechanical and electrochemical properties of 0.88[Bi 0.5 Na 0.5 ]TiO 3 –0.08[Bi 0.5 K 0.5 ]TiO 3 –0.04[Bi 0.5 Li 0.5 ]TiO 3 piezoceramic is investigated with particular emphasis on complex impedance in the temperature range from 450 to 600 °C. The impedance spectra have been simulated with equivalent circuits in order to extract bulk and grain boundary characteristics and to determine activation energies of conduction. Mn and Fe dopants considerably enhance the mechanical quality factor and decrease the dielectric loss compared to the undoped composition. Mn doping leads to dramatically higher resistivity in the bulk and a modest increase in the bulk activation energy. On the other hand, conductivity increases dramatically via Fe doping with a significant lowering of activation energy in the bulk and corresponding raising of the activation energy at grain boundaries in comparison to Mn-doped and undoped ceramic. The bulk conductivity of Fe-doped piezoceramic reaches as high as 0.01 S cm -1 at 600 °C.

36 MATERIALS SCIENCE↗