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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 541 records · Page 30
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Theoretical analysis of selectivity mechanisms in molecular transport through channels and nanopores

Selectivity is one of the most fundamental concepts in natural sciences, and it is also critically important in various technological, industrial, and medical applications. Although there are many experimental methods that allow to separate molecules, frequently they are expensive and not efficient. Recently, a new method of separation of chemical mixtures based on utilization of channels and nanopores has been proposed and successfully tested in several systems. However, mechanisms of selectivity in the molecular transport during the translocation are still not well understood. Here, we develop a simple theoretical approach to explain the origin of selectivity in molecular fluxes through channels. Our method utilizes discrete-state stochastic models that take into account all relevant chemical transitions and can be solved analytically. More specifically, we analyze channels with one and two binding sites employed for separating mixtures of two types of molecules. The effects of the symmetry and the strength of the molecular-pore interactions are examined. It is found that for one-site binding channels, the differences in the strength of interactions for two species drive the separation. At the same time, in more realistic two-site systems, the symmetry of interaction potential becomes also important. The most efficient separation is predicted when the specific binding site is located near the entrance to the nanopore. In addition, the selectivity is higher for large entrance rates into the channel. It is also found that the molecular transport is more selective for repulsive interactions than for attractive interactions. The physical-chemical origin of the observed phenomena is discussed.

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

A novel experimental approach to investigate radiolysis processes in liquid samples using collimated radiation sources

Here is detailed a novel and low-cost experimental method for high-throughput automated fluid sample irradiation. The sample is delivered via syringe pump to a nozzle, where it is expressed in the form of a hanging droplet into the path of a beam of ionising radiation. The dose delivery is controlled by an upstream lead shutter, which allows the beam to reach the droplet for a user defined period of time. The droplet is then further expressed after irradiation until it falls into one well of a standard microplate. The entire system is automated and can be operated remotely using software designed in-house, allowing for use in environments deemed unsafe for the user (synchrotron beamlines, for example). Depending on the number of wells in the microplate, several droplets can be irradiated before any human interaction is necessary, and the user may choose up to 10 samples per microplate using an array of identical syringe pumps, the design of which is described here. The nozzles consistently produce droplets of 25.1 ± 0.5 μl.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Evaluation of the exothermicity of the chemi-ionization reaction Sm + O → SmO{sup +} + e{sup −}

The exothermicity of the chemi-ionization reaction Sm + O → SmO{sup +} + e{sup −} has been re-evaluated through the combination of several experimental methods. The thermal reactivity (300–650 K) of Sm{sup +} and SmO{sup +} with a range of species measured using a selected ion flow tube-mass spectrometer apparatus is reported and provides limits for the bond strength of SmO{sup +}, 5.661 eV ≤ D{sub 0}(Sm{sup +}-O) ≤ 6.500 eV. A more precise value is measured to be 5.72{sub 5} ± 0.07 eV, bracketed by the observed reactivity of Sm{sup +} and SmO{sup +} with several species using a guided ion beam tandem mass spectrometer (GIBMS). Combined with the established Sm ionization energy (IE), this value indicates an exothermicity of the title reaction of 0.08 ± 0.07 eV, ∼0.2 eV smaller than previous determinations. In addition, the ionization energy of SmO has been measured by resonantly enhanced two-photon ionization and pulsed-field ionization zero kinetic energy photoelectron spectroscopy to be 5.7427 ± 0.0006 eV, significantly higher than the literature value. Combined with literature bond energies of SmO, this value indicates an exothermicity of the title reaction of 0.14 ± 0.17 eV, independent from and in agreement with the GIBMS result presented here. The evaluated thermochemistry also suggests that D{sub 0}(SmO) = 5.83 ± 0.07 eV, consistent with but more precise than the literature values. Implications of these results for interpretation of chemical release experiments in the thermosphere are discussed.

74 ATOMIC AND MOLECULAR PHYSICS↗
DOE OSTI2015

Nuclear Magnetic Dipole and Electric Quadrupole Moments: Their Measurement and Tabulation as Accessible Data

The most recent tabulations of nuclear magnetic dipole and electric quadrupole moments have been prepared and published by the Nuclear Data Section of the IAEA, Vienna [N. J. Stone, Report No. INDC(NDS)-0650 (2013); Report No. INDC(NDS)-0658 (2014)]. The first of these is a table of recommended quadrupole moments for all isotopes in which all experimental results are made consistent with a limited number of adopted standards for each element; the second is a combined listing of all measurements of both moments. Both tables cover all isotopes and energy levels. In this paper, the considerations relevant to the preparation of both tables are described, together with observations as to the importance and (where appropriate) application of necessary corrections to achieve the “best” values. Some discussion of experimental methods is included with emphasis on their precision. The aim of the published quadrupole moment table is to provide a standard reference in which the value given for each moment is the best available and for which full provenance is given. A table of recommended magnetic dipole moments is in preparation, with the same objective in view.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Experimental evidence of skyrmion-like configurations in bilayer nanodisks with perpendicular magnetic anisotropy

Formation and existence of magnetic skyrmion-like configurations in bilayer nanodisks (Ta(3 nm)/[Co(0.37 nm)/Ni(0.58 nm)]{sub 10}){sub 2} with perpendicular magnetic anisotropy are shown experimentally at room temperature. Magnetization reversal through the skyrmion state is studied using magnetic hysteresis measurements. An evolution of skyrmion configurations in the nanodisk structure is analyzed. Experimental methods and micromagnetic simulations help to understand the magnetization reversal processes occurring through the stable skyrmion-like configurations. Formation of the intermediate C-states during magnetization reversal is demonstrated. The skyrmion number for all possible spin configurations is calculated.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2015

Copper dimer interactions on a thermomechanical superfluid {sup 4}He fountain

Laser induced fluorescence imaging and frequency domain excitation spectroscopy of the copper dimer (B{sup 1}Σ{sub g}{sup +}←X{sup 1}Σ{sub u}{sup +}) in thermomechanical helium fountain at 1.7 K are demonstrated. The dimers penetrate into the fountain provided that their average propagation velocity is ca. 15 m/s. This energy threshold is interpreted in terms of an imperfect fountain liquid-gas interface, which acts as a trap for low velocity dimers. Orsay-Trento density functional theory calculations for superfluid {sup 4}He are used to characterize the dynamics of the dimer solvation process into the fountain. The dimers first accelerate towards the fountain surface and once the surface layer is crossed, they penetrate into the liquid and further slow down to Landau critical velocity by creating a vortex ring. Theoretical lineshape calculations support the assignment of the experimentally observed bands to Cu{sub 2} solvated in the bulk liquid. The vibronic progressions are decomposed of a zero-phonon line and two types of phonon bands, which correlate with solvent cavity interface compression (t < 200 fs) and expansion (200 < t < 500 fs) driven by the electronic excitation. The presented experimental method allows to perform molecular spectroscopy in bulk superfluid helium where the temperature and pressure can be varied.

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

Edge effects on band gap energy in bilayer 2H-MoS{sub 2} under uniaxial strain

The potential of ultrathin MoS{sub 2} nanostructures for applications in electronic and optoelectronic devices requires a fundamental understanding in their electronic structure as a function of strain. Previous experimental and theoretical studies assume that an identical strain and/or stress state is always maintained in the top and bottom layers of a bilayer MoS{sub 2} film. In this study, a bilayer MoS{sub 2} supercell is constructed differently from the prototypical unit cell in order to investigate the layer-dependent electronic band gap energy in a bilayer MoS{sub 2} film under uniaxial mechanical deformations. The supercell contains an MoS{sub 2} bottom layer and a relatively narrower top layer (nanoribbon with free edges) as a simplified model to simulate the as-grown bilayer MoS{sub 2} flakes with free edges observed experimentally. Our results show that the two layers have different band gap energies under a tensile uniaxial strain, although they remain mutually interacting by van der Waals interactions. The deviation in their band gap energies grows from 0 to 0.42 eV as the uniaxial strain increases from 0% to 6% under both uniaxial strain and stress conditions. The deviation, however, disappears if a compressive uniaxial strain is applied. These results demonstrate that tensile uniaxial strains applied to bilayer MoS{sub 2} films can result in distinct band gap energies in the bilayer structures. Such variations need to be accounted for when analyzing strain effects on electronic properties of bilayer or multilayered 2D materials using experimental methods or in continuum models.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2015

Laser-ablated loading of solid target through foams of overcritical density

The main objective of the work is to study the conversion of the laser pulse energy into the energy of the hydrodynamic motion of matter in a solid target following the initial absorption of laser radiation in a layer of porous material. Results of experiments on plane massive aluminum targets, coated with a layer of porous plastic with density greater than the critical density of the plasma created, are presented. Experiments were carried out on the laser installation ABC of the Research Center ENEA-Frascati; the targets were irradiated by a beam of the fundamental harmonic of Nd-laser radiation with an energy of about 50 kJ, intensity of 10{sup 13 }W/cm{sup 2}, and 3 ns duration. The experimental method consisted in measuring the volume of the craters created on the aluminum surface behind various thicknesses and densities of the porous absorber of laser radiation. On the basis of these measurements and of an advanced analytical model, quantitative conclusions are made on how the efficiency of laser energy transfer to the solid part of the target (laser-ablated loading) depends on thickness and density of the porous absorber.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Studies on the reduction of radon plate-out

The decay of common radioactive gases, such as radon, produces stable isotopes by a sequence of daughter particles with varied half-lives. These daughter particles are a significant source of gamma, neutron, and alpha (α) particle backgrounds that can mimic desired signals in dark matter and neutrinoless double beta decay experiments. In the LUMINA Laboratory at Southern Methodist University (SMU), studies of radon plate-out onto copper samples are conducted using one of XIA’s first five UltraLo 1800 alpha counters. We present results from investigations into various mitigation approaches. A custom-built copper holder (in either plastic or metal) has been designed and produced to maximize the copper’s exposure to {sup 220}Rn. The {sup 220}Rn source is a collection of camping lantern mantles. We present the current status of control and experimental methods for addressing radon exposure levels.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2015

Where is the cosmic-ray modulation boundary of the heliosphere?

The intensity of Galactic cosmic rays in the heliosphere is modulated by solar activities. The outer boundary where the solar modulation begins has always been a subject matter of debate in the cosmic-ray and heliophysics community. Various experimental methods and theoretical model calculations have been used to determine the boundary. Although the heliopause was always suspected to be the boundary, it is only until very recently after Voyager 1 had crossed the heliopause did we confirm that the boundary is indeed the heliopause. In this paper, we use a model simulation and detailed Voyager observation of cosmic rays at the heliopause crossing to show that the modulation boundary, in fact, is a fraction of an AU beyond the heliopause. Such a conclusion requires a very low turbulence level of the interstellar magnetic field in the outer heliosheath. According to the quasi-linear theory, a low level of turbulence should result in a very large diffusion coefficient parallel to the magnetic field and a very small perpendicular diffusion coefficient. For the first time, we are confident that Voyager 1 has obtained the truly pristine local interstellar cosmic-ray spectra down to the energies below 1 MeV. The cosmic-ray intensity is rapidly filtered by a thin layer of the interstellar magnetic field immediately outside of the heliopause. Its filtration amount depends on the conditions of magnetic field turbulence on the both sides of the heliopause, thus making it solar-cycle dependent as well.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Experimental study of thermodynamics propagation fatigue crack in metals

This work is devoted to the development of an experimental method for studying the energy balance during cyclic deformation and fracture. The studies were conducted on 304 stainless steel AISE samples. The investigation of the fatigue crack propagation was carried out on flat samples with stress concentrators. The stress concentrator was three central holes. The heat flux sensor was developed based on the Seebeck effect. This sensor was used for measuring the heat dissipation power in the examined samples during the fatigue tests. The measurements showed that the rate of fatigue crack growth depends on the heat flux at the crack tip and there are two propagation mode of fatigue crack with different link between the propagation mode and heat flux from crack tip.

36 MATERIALS SCIENCE↗
DOE OSTI2016

Special features of high-speed interaction of supercavitating solids in water

Special features of material behavior of a supercavitating projectile are investigated at various initial velocities of entering water on the basis of the developed stress-strain state model with possibility of destruction of solids when moving in water and interacting with various underwater barriers with the use of consistent methodological approach of mechanics of continuous media. The calculation-experimental method was used to study the modes of motion of supercavitating projectiles at sub- and supersonic velocities in water medium after acceleration in the barrelled accelerator, as well as their interaction with barriers. Issues of stabilization of the supercavitating projectile on the initial flight path in water were studied. Microphotographs of state of solids made of various materials, before and after interaction with water, at subsonic and supersonic velocities were presented. Supersonic velocity of the supercavitating projectile motion in water of 1590 m/s was recorded.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Application of photon Doppler velocimetry to direct impact Hopkinson pressure bars

Direct impact Hopkinson pressure bar systems offer many potential advantages over split Hopkinson pressure bars, including access to higher strain rates, higher strains for equivalent striker velocity and system length, lower dispersion, and faster achievement of force equilibrium. Currently, these advantages are gained at the expense of all information about the striker impacted specimen face, preventing the experimental determination of force equilibrium, and requiring approximations to be made on the sample deformation history. In this paper, we discuss an experimental method and complementary data analysis for using photon Doppler velocimetry to measure surface velocities of the striker and output bars in a direct impact bar experiment, allowing similar data to be recorded as in a split bar system. We discuss extracting velocity and force measurements, and the precision of measurements. Results obtained using the technique are compared to equivalent split bar tests, showing improved stress measurements for the lowest and highest strains in fully dense metals, and improvement for all strains in slow and non-equilibrating materials.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Advances in x-ray framing cameras at the National Ignition Facility to improve quantitative precision in x-ray imaging

We describe an experimental method to measure the gate profile of an x-ray framing camera and to determine several important functional parameters: relative gain (between strips), relative gain droop (within each strip), gate propagation velocity, gate width, and actual inter-strip timing. Several of these parameters cannot be measured accurately by any other technique. This method is then used to document cross talk-induced gain variations and artifacts created by radiation that arrives before the framing camera is actively amplifying x-rays. Electromagnetic cross talk can cause relative gains to vary significantly as inter-strip timing is varied. This imposes a stringent requirement for gain calibration. If radiation arrives before a framing camera is triggered, it can cause an artifact that manifests as a high-intensity, spatially varying background signal. Furthermore, we have developed a device that can be added to the framing camera head to prevent these artifacts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Photoreflectance study of the near-band-edge transitions of chemical vapor deposition-grown mono- and few-layer MoS{sub 2} films

Room-temperature photoreflectance (PR) and reflectance (R) spectroscopy are utilized to investigate the near-band-edge transitions of molybdenum disulfide (MoS{sub 2}) thin films grown on sapphire substrates by a hot-wall chemical vapor deposition system. The layer thickness and optical properties of the MoS{sub 2} thin films are confirmed by Raman spectroscopy, atomic force microscope, and photoluminescence (PL) analysis. The B exciton shows relatively weak PL intensity in comparing with the A exciton even for monolayer MoS{sub 2} films. In the R spectrum of few‐layer MoS{sub 2}, it is not possible to clearly observe exciton related features. The PR spectra have two sharp, derivative-like features on a featureless background. Throughout the PR lineshape fitting, the transition energies are designated as the A and B excitons at the K-point of the Brillouin zone, but at room temperature there seems to be no distinguishable feature corresponding to an H‐point transition for the mono- and few-layer MoS{sub 2} films unlike in bulk. These transition energies are slightly larger than those obtained by PL, which is attributed to the Stokes shifts related to doping level. The obtained values of valence-band spin-orbit splitting are in good agreement with those from other experimental methods. By comparing the PR lineshapes, the dominant modulation mechanism is attributed to variations of the exciton transition energies due to change in the built-in electric field. On the strength of this study, PR spectroscopy is demonstrated as a powerful technique for characterizing the near-band-edge transitions of MoS{sub 2} from monolayer to bulk.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Direct growth of nano-crystalline graphite films using pulsed laser deposition with in-situ monitoring based on reflection high-energy electron diffraction technique

We report an experimental method to overcome the long processing time required for fabricating graphite films by a transfer process from a catalytic layer to a substrate, as well as our study of the growth process of graphite films using a pulsed laser deposition combined with in-situ monitoring based on reflection high-energy electron diffraction technique. We monitored the structural evolution of nano-crystalline graphite films directly grown on AlN-coated Si substrates without any catalytic layer. We found that the carbon films grown for less than 600 s cannot manifest the graphite structure due to a high defect density arising from grain boundaries; however, the carbon film can gradually become a nano-crystalline graphite film with a thickness of approximately up to 5 nm. The Raman spectra and electrical properties of carbon films indicate that the nano-crystalline graphite films can be fabricated, even at the growth temperature as low as 850 °C within 600 s.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Shock wave induced martensitic transformations and morphology changes in Fe-Pd ferromagnetic shape memory alloy thin films

Combining experimental methods and classical molecular dynamics (MD) computer simulations, we explore the martensitic transformation in Fe{sub 70}Pd{sub 30} ferromagnetic shape memory alloy thin films induced by laser shock peening. X-ray diffraction and scanning electron microscope measurements at shock wave pressures of up to 2.5 GPa reveal formation of martensitic variants with preferred orientation of the shorter c-axis of the tetragonal unit cell perpendicular to the surface plane. Moreover, consequential merging of growth islands on the film surface is observed. MD simulations unveil the underlying physics that are characterized by an austenite-martensite transformation with a preferential alignment of the c-axis along the propagation direction of the shock wave, resulting in flattening and in-plane expansion of surface features.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Poly(vinylidene fluoride-hexafluoropropylene) polymer electrolyte for paper-based and flexible battery applications

Paper-based batteries represent a new frontier in battery technology. However, low-flexibility and poor ionic conductivity of solid electrolytes have been major impediments in achieving practical mechanically flexible batteries. This work discuss new highly ionic conductive polymer gel electrolytes for paper-based battery applications. In this paper, we present a poly(vinylidene fluoride-hexafluoropropylene) (PVDH-HFP) porous membrane electrolyte enhanced with lithium bis(trifluoromethane sulphone)imide (LiTFSI) and lithium aluminum titanium phosphate (LATP), with an ionic conductivity of 2.1 × 10{sup −3} S cm{sup −1}. Combining ceramic (LATP) with the gel structure of PVDF-HFP and LiTFSI ionic liquid harnesses benefits of ceramic and gel electrolytes in providing flexible electrolytes with a high ionic conductivity. In a flexibility test experiment, bending the polymer electrolyte at 90° for 20 times resulted in 14% decrease in ionic conductivity. Efforts to further improving the flexibility of the presented electrolyte are ongoing. Using this electrolyte, full-cell batteries with lithium titanium oxide (LTO) and lithium cobalt oxide (LCO) electrodes and (i) standard metallic current collectors and (ii) paper-based current collectors were fabricated and tested. The achieved specific capacities were (i) 123 mAh g{sup −1} for standard metallic current collectors and (ii) 99.5 mAh g{sup −1} for paper-based current collectors. Thus, the presented electrolyte has potential to become a viable candidate in paper-based and flexible battery applications. Fabrication methods, experimental procedures, and test results for the polymer gel electrolyte and batteries are presented and discussed.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗