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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 OSTI2014

Interfacial characterization of SLM parts in multi-material processing: Metallurgical diffusion between 316L stainless steel and C18400 copper alloy

Multi-material processing in selective laser melting using a novel approach, by the separation of two different materials within a single dispensing coating system was investigated. 316L stainless steel and UNS C18400 Cu alloy multi-material samples were produced using selective laser melting and their interfacial characteristics were analyzed using focused ion beam, scanning electron microscopy, energy dispersive spectroscopy and electron back scattered diffraction techniques. A substantial amount of Fe and Cu element diffusion was observed at the bond interface suggesting good metallurgical bonding. Quantitative evidence of good bonding at the interface was also obtained from the tensile tests where the fracture was initiated at the copper region. Nevertheless, the tensile strength of steel/Cu SLM parts was evaluated to be 310 ± 18 MPa and the variation in microhardness values was found to be gradual along the bonding interface from the steel region (256 ± 7 HV{sub 0.1}) to the copper region (72 ± 3 HV{sub 0.1}). - Highlights: • Multi-material processing was successfully implemented and demonstrated in SLM. • Bi-metallic laminates of steel/Cu were successfully produced with the SLM process. • A substantial amount of Fe and Cu diffusion was observed at the bond interface. • Good metallurgical bonding was obtained at the interface of the steel/Cu laminates. • Highly refined microstructure was obtained due to rapid solidification in SLM.

36 MATERIALS SCIENCE↗
DOE OSTI2017

Adsorption and Photodesorption of CO from Charged Point Defects on TiO 2 (110)

Adsorption and photodesorption of weakly-bound carbon monoxide, CO, from reduced and hydroxylated rutile TiO2(110) (r- and h- TiO2(110)) at sub-monolayer coverages is studied with atomically-resolved scanning tunneling microscopy (STM) along with ensemble-averaged temperature-programmed desorption (TPD) and angle-resolved photon-stimulated desorption (PSD) at low temperatures ( 50 K). STM data weighted by the concentration of each kind of adsorption sites on r-TiO2(110) give an adsorption probability which is the highest for the bridging oxygen vacancies (VO) and very low for the Ti5c sites closest to VO. Occupancy of the remaining Ti5c sites with CO is significant, but smaller than for VO. The probability distribution for the different adsorption sites corresponds to a very small difference in CO adsorption energies: < 0.02 eV. We also find that UV irradiation stimulates both diffusion and desorption of CO at low temperature. CO photodesorbs primarily from the vacancies with a bi-modal angular distribution. In addition to a major, normal to the surface component, there is a broader cosine component indicating scattering from the surface which likely also leads to photo-stimulated diffusion. Hydroxylation of VO’s does not significantly change the CO PSD yield and angular distribution, indicating that not atomic but rather electronic surface defects are involved in the site-specific PSD process. We suggest that photodesorption can be initiated by recombination of photo-generated holes with excess unpaired electrons localized near the surface point-defect (either VO or bridging hydroxyl), leading to the surface atoms rearrangement and ejection of the weakly-bound CO molecules.

Environmental Molecular Sciences Laboratory↗
DOE OSTI2015

The impact of defect scattering on the quasi-ballistic transport of nanoscale conductors

Using the Landauer approach for carrier transport, we analyze the impact of defects induced by ion irradiation on the transport properties of nanoscale conductors that operate in the quasi-ballistic regime. Degradation of conductance results from a reduction of carrier mean free path due to the introduction of defects in the conducting channel. We incorporate scattering mechanisms from radiation-induced defects into calculations of the transmission coefficient and present a technique for extracting modeling parameters from near-equilibrium transport measurements. These parameters are used to describe degradation in the transport properties of nanoscale devices using a formalism that is valid under quasi-ballistic operation. The analysis includes the effects of bandstructure and dimensionality on the impact of defect scattering and discusses transport properties of nanoscale devices from the diffusive to the ballistic limit. We compare calculations with recently published measurements of irradiated nanoscale devices such as single-walled carbon nanotubes, graphene, and deep-submicron Si metal-oxide-semiconductor field-effect transistors.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

COSMIC-RAY PITCH-ANGLE SCATTERING IN IMBALANCED MHD TURBULENCE SIMULATIONS

Pitch-angle scattering rates for cosmic-ray particles in MHD simulations with imbalanced turbulence are calculated for fully evolving electromagnetic turbulence. We compare with theoretical predictions derived from the quasilinear theory of cosmic-ray diffusion for an idealized slab spectrum and demonstrate how cross helicity affects the shape of the pitch-angle diffusion coefficient. Additional simulations in evolving magnetic fields or static field configurations provide evidence that the scattering anisotropy in imbalanced turbulence is not primarily due to coherence with propagating Alfvén waves, but an effect of the spatial structure of electric fields in cross-helical MHD turbulence.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

PHYSICAL CONSTRAINTS ON FAST RADIO BURSTS

Fast radio bursts (FRBs) are isolated, ms radio pulses with dispersion measure (DM) of order 10{sup 3} pc cm{sup –3}. Galactic candidates for the DM of high latitude bursts detected at GHz frequencies are easily dismissed. DM from bursts emitted in stellar coronas are limited by free-free absorption and those from H II regions are bounded by the nondetection of associated free-free emission at radio wavelengths. Thus, if astronomical, FRBs are probably extragalactic. FRB 110220 has a scattering tail of ∼5.6 ± 0.1 ms. If the electron density fluctuations arise from a turbulent cascade, the scattering is unlikely to be due to propagation through the diffuse intergalactic plasma. A more plausible explanation is that this burst sits in the central region of its host galaxy. Pulse durations of order ms constrain the sizes of FRB sources implying high brightness temperatures that indicates coherent emission. Electric fields near FRBs at cosmological distances would be so strong that they could accelerate free electrons from rest to relativistic energies in a single wave period.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2020

Inelastic neutron scattering evidence for anomalous H–H distances in metal hydrides

Hydrogen-containing materials are of basic as well as technological interest. An outstanding question for both is the amount of hydrogen that can be incorporated in such materials, because that determines dramatically their physical properties such as electronic and crystalline structure. The number of hydrogen atoms in a metal is controlled by the interaction of hydrogens with the metal and by the hydrogen–hydrogen interactions. It is well established that the minimal possible hydrogen–hydrogen distances in conventional metal hydrides are around 2.1 Å under ambient conditions, although closer H–H distances are possible for materials under high pressure. We introduce inelastic neutron scattering measurements on hydrogen in Z r V 2 H x showing nonexpected scattering at low-energy transfer. The analysis of the spectra reveals that these spectral features in part originate from hydrogen vibrations confined by neighboring hydrogen at distances as short as 1.6 Å. These distances are much smaller than those found in related hydrides, thereby violating the so-called Switendick criterion. The results have implications for the design and creation of hydrides with additional properties and applications.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2014

Kinetic modeling of evolution of 3 + 1:Resonance enhanced multiphoton ionization plasma in argon at low pressures

We present numerical kinetic modeling of generation and evolution of the plasma produced as a result of resonance enhanced multiphoton ionization (REMPI) in Argon gas. The particle-in-cell/Monte Carlo collision (PIC/MCC) simulations capture non-equilibrium effects in REMPI plasma expansion by considering the major collisional processes at the microscopic level: elastic scattering, electron impact ionization, ion charge exchange, and recombination and quenching for metastable excited atoms. The conditions in one-dimensional (1D) and two-dimensional (2D) formulations correspond to known experiments in Argon at a pressure of 5 Torr. The 1D PIC/MCC calculations are compared with the published results of local drift-diffusion model, obtained for the same conditions. It is shown that the PIC/MCC and diffusion-drift models are in qualitative and in reasonable quantitative agreement during the ambipolar expansion stage, whereas significant non-equilibrium exists during the first few 10 s of nanoseconds. 2D effects are important in the REMPI plasma expansion. The 2D PIC/MCC calculations produce significantly lower peak electron densities as compared to 1D and show a better agreement with experimentally measured microwave radiation scattering.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Chemical structure and curing dynamics of bisphenol S, PEEK™-like, and resveratrol phthalonitrile thermoset resins

This effort provides a multifaceted analysis of the structural changes and material dynamics of thermally driven softening and curing of three distinct phthalonitrile (PN) resins that cross-link into thermally stable and oxidation-resistant thermosets. Although this material system has yielded a large subset of fire-retardant composites that require facile processing and low-temperature curing, to date, insufficient information had been available on the fundamental processes that drive their softening and curing stages. Our approach conducted a complementary analysis the chemistry, monomer mobility, and rheology of three PN polymers in order to correlate the curing processes with corresponding structural and behavioral transformations of thermosets. Here, we focused on PNs with a bisphenol S backbone, a bisphenol A (PEEK™-like) backbone, and a resveratrol backbone. We relied on quasi-elastic neutron scattering (QENS) in order to analyze the in situ dynamics and self-diffusion properties of PN monomers, and to track changes in their mobilities during cross-linking and staging. Our analysis facilitates proper control over the staging and final curing of these resins and enables more efficient processing of these thermosets.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Effect of metal ion intercalation on the structure of MXene and water dynamics on its internal surfaces

MXenes are a recently discovered class of 2D materials with an excellent potential for energy storage applications. Because MXene surfaces are hydrophilic and attractive interaction forces between the layers are relatively weak, water molecules can spontaneously intercalate at ambient humidity and significantly influence the key properties of this 2D material. Using complementary X-ray and neutron scattering techniques, we demonstrate that intercalation with potassium cations significantly improves structural homogeneity and water stability in MXenes. Furthermore, in agreement with molecular dynamics simulations, intercalated potassium ions reduce the water self-diffusion coefficient by 2 orders of magnitude, suggesting greater stability of hydrated MXene against changing environmental conditions.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Electron scattering in graphene with adsorbed NaCl nanoparticles

In this work, the results of contactless magnetoconductance and Raman spectroscopy measurements performed for a graphene sample after its immersion in NaCl solution were presented. The properties of the immersed sample were compared with those of a non-immersed reference sample. Atomic force microscopy and electron spin resonance experiments confirmed the deposition of NaCl nanoparticles on the graphene surface. A weak localization signal observed using contactless magnetoconductance showed the reduction of the coherence length after NaCl treatment of graphene. Temperature dependence of the coherence length indicated a change from ballistic to diffusive regime in electron transport after NaCl treatment. The main inelastic scattering process was of the electron-electron type but the major reason for the reduction of the coherence length at low temperatures was additional, temperature independent, inelastic scattering. We associate it with spin flip scattering, caused by NaCl nanoparticles present on the graphene surface. Raman spectroscopy showed an increase in the D and D′ bands intensities for graphene after its immersion in NaCl solution. An analysis of the D, D′, and G bands intensities proved that this additional scattering is related to the decoration of vacancies and grain boundaries with NaCl nanoparticles, as well as generation of new on-site defects as a result of the decoration of the graphene surface with NaCl nanoparticles. The observed energy shifts of 2D and G bands indicated that NaCl deposition on the graphene surface did not change carrier concentration, but reduced compressive biaxial strain in the graphene layer.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2018

Effect of nanographene platelets on adsorption and sonophotocatalytic performances of TiO2/CuO composite for removal of organic pollutants

Highlights: • TiO{sub 2}/CuO composite incorporated with nanographene platelets (NGP). • Catalytic ability of TiO{sub 2}/CuO/NGP composite for removal of MB investigated. • Better adsorption ability for MB compared to TiO{sub 2}/CuO composite without NGP. • Adsorption ability increases with increasing NGP content up to optimal level. • TiO{sub 2}/CuO/NGP with 10 wt% NGP exhibits best photo- and sonophoto-catalysis. - Abstract: TiO{sub 2}/CuO composites incorporated with different amounts of nanographene platelets (NGP) were synthesized by hydrothermal processing. The TiO{sub 2}/CuO/NGP composite was characterized by X-ray diffraction, transmission electron microscopy, energy-dispersive X-ray spectroscopy, X-ray photoelectron spectroscopy, dynamical light scattering, Raman spectroscopy, Fourier–transform infrared spectroscopy, ultraviolet (UV)-visible diffuse reflectance spectroscopy, Brunauer—Emmett—Teller (BET) surface area analysis, and electron spin resonance. The catalytic ability of the composite for the removal of methylene blue from an aqueous solution was examined by adsorption, photocatalytic, and sonophotocatalytic experiments. The composite was found to exhibit better adsorption ability for methylene blue compared to the TiO{sub 2}/CuO composite without NGP. The photocatalytic activity of the composite was examined by UV and visible (Vis) light irradiation, while the sonophotocatalytic activity was examined by a combination of UV and Ultrasound (UV + US) and Vis + US. Both examinations showed that the light and ultrasonic responses were enhanced by compositing with NGP.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2023

Differentiating Between Simultaneous Loss Drivers in Earth's Outer Radiation Belt: Multi‐Dimensional Phase Space Density Analysis

Abstract We analyzed the contribution of electromagnetic ion cyclotron (EMIC) wave driven electron loss to a flux dropout event in September 2017. The evolution of electron phase space density (PSD) through the dropout showed the formation of a radially peaked PSD profile as electrons were lost at high L* , resembling distributions created by magnetopause shadowing. By comparing 2D Fokker Planck simulations of pitch angle diffusion to the observed change in PSD, we found that the μ and K of electron loss aligned with maximum scattering rates at dropout onset. We conclude that, during this dropout event, EMIC waves produced substantial electron loss. Because pitch angle diffusion occurred on closed drift paths near the last closed drift shell, no radial PSD minimum was observed. Therefore, the radial PSD gradients resembled solely magnetopause shadowing loss, even though the local pitch angle scattering produced electron losses of several orders of magnitude of the PSD.

Staples, F. A.↗
DOE OSTI2015

Thermoelectric transport coefficients in mono-layer MoS{sub 2} and WSe{sub 2}: Role of substrate, interface phonons, plasmon, and dynamic screening

The thermoelectric transport coefficients of electrons in two recently emerged transition metal di-chalcogenides (TMD), MoS{sub 2} and WSe{sub 2}, are calculated by solving Boltzmann transport equation using Rode's iterative technique in the diffusive transport regime and the coupled current (electrical and heat) equations. Scattering from remote phonons along with the hybridization of TMD plasmon with remote phonon modes and dynamic screening under linear polarization response are investigated in TMDs sitting on a dielectric environment. The transport coefficients are obtained for a varying range of temperature and doping density for three different types of substrates—SiO{sub 2}, Al{sub 2}O{sub 3}, and HfO{sub 2}. The Seebeck co-efficient for MoS{sub 2} and WSe{sub 2} is found to be higher than 3D semiconductors even with diffusive transport. The electronic thermal conductivity is found to be low, however, the thermoelectric figure of merit is limited by the high phonon thermal conductivity. It is found that judicious selection of a dielectric environment based on temperature of operation and carrier density is crucial to optimize the thermoelectric performance of TMD materials.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Diffusive cosmic-ray acceleration at relativistic shock waves with magnetostatic turbulence

The analytical theory of diffusive cosmic-ray acceleration at parallel stationary shock waves with magnetostatic turbulence is generalized to arbitrary shock speeds V{sub s}=β{sub 1}c, including, in particular, relativistic speeds. This is achieved by applying the diffusion approximation to the relevant Fokker–Planck particle transport equation formulated in the mixed comoving coordinate system. In this coordinate system, the particle's momentum coordinates p and μ=p{sub ∥}/p are taken in the rest frame of the streaming plasma, whereas the time and space coordinates are taken in the observer's system. For magnetostatic slab turbulence, the diffusion–convection transport equation for the isotropic (in the rest frame of the streaming plasma) part of the particle's phase space density is derived. For a step-wise shock velocity profile, the steady-state diffusion–convection transport equation is solved. For a symmetric pitch-angle scattering Fokker–Planck coefficient, D{sub μμ}(−μ)=D{sub μμ}(μ), the steady-state solution is independent of the microphysical scattering details. For nonrelativistic mono-momentum particle injection at the shock, the differential number density of accelerated particles is a Lorentzian-type distribution function, which at large momenta approaches a power-law distribution function N(p⩾p{sub c})∝p{sup −ξ} with the spectral index ξ(β{sub 1})=1+[3/(Γ{sub 1}√(r{sup 2}−β{sub 1}{sup 2})−1)(1+3β{sub 1}{sup 2})]. For nonrelativistic (β{sub 1}≪1) shock speeds, this spectral index agrees with the known result ξ(β{sub 1}≪1)≃(r+2)/(r−1), whereas for ultrarelativistic (Γ{sub 1}≫1) shock speeds the spectral index value is close to unity.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Analytical approximation of transit time scattering due to magnetosonic waves

Abstract Recent test particle simulations have shown that energetic electrons traveling through fast magnetosonic (MS) wave packets can experience an effect which is specifically associated with the tight equatorial confinement of these waves, known as transit time scattering. However, such test particle simulations can be computationally cumbersome and offer limited insight into the dominant physical processes controlling the wave‐particle interactions, that is, in determining the effects of the various wave parameters and equatorial confinement on the particle scattering. In this paper, we show that such nonresonant effects can be effectively captured with a straightforward analytical treatment that is made possible with a set of reasonable, simplifying assumptions. It is shown that the effect of the wave confinement, which is not captured by the standard quasi‐linear theory approach, acts in such a way as to broaden the range of particle energies and pitch angles that can effectively resonate with the wave. The resulting diffusion coefficients can be readily incorporated into global diffusion models in order to test the effects of transit time scattering on the dynamical evolution of radiation belt fluxes.

Bortnik, J.↗
DOE OSTI2021

Ion Atmosphere of Wormlike Micelles Profiled by Contrast Variation Small-Angle Neutron Scattering

Structural studies of wormlike micelles have so far mostly focused on the conformational properties of surfactant aggregates. The diffuse ionic atmosphere, which has a profound influence on various micellization phenomena such as thermodynamic stability and structural polymorphism, remains largely unexplored experimentally. In this report a strategy of contrast variation small-angle neutron scattering for this crucial structural study is outlined. Underlined by a general criterion established for unbiasedly identifying the length scale relevant to charge association from the spectral evolution, our analytical framework can provide a quantitative description of counterion distribution in a mathematically tractable manner. Overall, our method can be conveniently extended to facilitate structural studies of complex multicomponent systems using contrast variation neutron scattering.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗