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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 253 records · Page 14
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

SU-E-T-544: Microscopic Dose Enhancement of Gold Nanoparticles in Water for Proton Therapy: A Simulation Study

Purpose: To quantify the microscopic dose and linear energy transfer (LET) enhancement of gold nanoparticles (GNPs) in water for proton therapy. Methods: The GEANT4 toolkit (version 10) with low energy electromagnetic classes was used to create a series of simulations where three radii (r=5, 20, 100 nm) of gold nanoparticles (GNPs) were irradiated with 5 × 106 80 MeV protons. A cubic detector (10 × 10 × 10 um, divided in 25 × 25 × 25 voxels) were placed in a water phantom where the GNP rests in the center. The size of incident proton beam was set to be same as the GNPs and perpendicularly aiming to the target. Dose deposited to each voxel were recorded to calculate the overall deposited dose and the dose-averaged LET. The emitted secondary electron spectra were also collected in a spherical customized scorer (radius = 150 nm). Results: The average dose from a single GNP in a cubic water phantom was increased by 0.12 %, 1.12% and 2.3% and the mean dose-averaged LET was increased by 5.87% and 27.67% and 0.31% for GNP radius of 5 nm, 20 nm and 100 nm, respectively. Conclusion: The dose enhancement effect from the presence of a single GNP was qualified in a water phantom. A significant increase in the mean dose-averaged LET was found for 20 nm GNP.

61 RADIATION PROTECTION AND DOSIMETRY↗
DOE OSTI2017

Direct Observation of Two-step Magnetic Reconnection in a Solar Flare

We report observations of an eruptive X2.8 flare on 2013 May 13, which shows two distinct episodes of energy release in the impulsive phase. The first episode is characterized by the eruption of a magnetic flux rope, similar to the energy-release process in most standard eruptive flares. The second episode, which is stronger than the first normal one and shows enhanced high-energy X-ray and even γ-ray emissions, is closely associated with magnetic reconnection of a large-scale loop in the aftermath of the eruption. The reconnection inflow of the loop leg is observed in the Solar Dynamics Observatory (SDO)/Atmospheric Imaging Assembly (AIA) 304 Å passband and accelerates toward the reconnection region to speeds as high as ∼130 km s{sup −1}. Simultaneously, the corresponding outflow jets are observed in the AIA hot passbands with speeds of ∼740 km s{sup −1} and a mean temperature of ∼14 MK. RHESSI observations show a strong burst of hard X-ray (HXR) and γ-ray emissions with hard electron spectra of δ≈3, exhibiting a soft–hard–harder behavior. A distinct altitude decrease of the HXR loop-top source coincides with the inward swing of the loop leg observed in the AIA 304 Å passband, which is suggested to be related to the coronal implosion. This fast inflow of magnetic flux contained in the loop leg greatly enhances the reconnection rate and results in very efficient particle acceleration in the second-step reconnection, which also helps to achieve a second higher temperature peak up to T ≈ 30 MK.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Combined modeling of acceleration, transport, and hydrodynamic response in solar flares. II. Inclusion of radiative transfer with RADYN

Solar flares involve complex processes that are coupled and span a wide range of temporal, spatial, and energy scales. Modeling such processes self-consistently has been a challenge in the past. Here we present results from simulations that couple particle kinetics with hydrodynamics (HD) of the atmospheric plasma. We combine the Stanford unified Fokker–Planck code that models particle acceleration and transport with the RADYN HD code that models the atmospheric response to collisional heating by accelerated electrons through detailed radiative transfer calculations. We perform simulations using two different electron spectra, one an ad hoc power law and the other predicted by the model of stochastic acceleration by turbulence or plasma waves. Surprisingly, the later model, even with energy flux ≪10{sup 10} erg s{sup −1} cm{sup −2}, can cause “explosive” chromospheric evaporation and drive stronger up- and downflows (and HD shocks). This is partly because our acceleration model, like many others, produces a spectrum consisting of a quasi-thermal component plus a power-law tail. We synthesize emission-line profiles covering different heights in the lower atmosphere, including Hα 6563 Å, He ii 304 Å, Ca ii K 3934 Å, and Si iv 1393 Å. One interesting result is the unusual high temperature (up to a few times 10{sup 5} K) of the formation site of He ii 304 Å, which is expected owing to photoionization-recombination under flare conditions, compared to those in the quiet Sun dominated by collisional excitation. When compared with observations, our results can constrain the properties of nonthermal electrons and thus the poorly understood particle acceleration mechanism.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2014

SU-E-T-448: On the Perturbation Factor P-cav of the Markus Parallel Plate Ion Chambers in Clinical Electron Beams, Monte Carlo Based Reintegration of An Historical Experiment

Purpose: All present dosimetry protocols recommend well-guarded parallel-plate ion chambers for electron dosimetry. For the guard-less Markus chamber an energy dependent fluence perturbation correction pcav is given. This perturbation correction was experimentally determined by van der Plaetsen by comparison of the read-out of a Markus and a NACP chamber, which was assumed to be “perturbation-free”. Aim of the present study is a Monte Carlo based reiteration of this experiment. Methods: Detailed models of four parallel-plate chambers (Roos, Markus, NACP and Advanced Markus) were designed using the Monte Carlo code EGSnrc and placed in a water phantom. For all chambers the dose to the active volume filled with low density water was calculated for 13 clinical electron spectra (E{sub 0}=6-21 MeV) at the depth of maximum and at the reference depth under reference conditions. In all cases the chamber's reference point was positioned at the depth of measurement. Moreover, the dose to water DW was calculated in a small water voxel positioned at the same depth. Results: The calculated dose ratio D{sub NACP}/D{sub Markus}, which according to van der Plaetsen reflects the fluence perturbation correction of the Markus chamber, deviates less from unity than the values given by van der Plaetsen's but exhibits a similar energy dependence. The same holds for the dose ratios of the other well guarded chambers. But, in comparison to water, the Markus chamber reveals the smallest overall perturbation correction which is nearly energy independent at both investigated depths. Conclusion: The simulations principally confirm the energy dependence of the dose ratio D{sub NACP}/D{sub Markus} as published by van der Plaetsen. But, as shown by our simulations of the ratio D{sub W}/D{sub Markus}, the conclusion drawn in all dosimetry protocols is questionable: in contrast to all well-guarded chambers the guard-less Markus chamber reveals the smallest overall perturbation correction and also the smallest energy dependence.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2011

Simulation and Modeling of Self-Assembled Monolayers of Carboxylic Acid Thiols on Flat and Nanoparticle Gold Surfaces

Quantitative analysis of the 16-mercaptohexadecanoic acid self-assembled monolayer (C16 COOH-SAM) layer thickness on gold nanoparticles (AuNPs) was performed using simulation of electron spectra for surface analysis (SESSA) and x-ray photoelectron spectroscopy (XPS). XPS measurements of C16 COOH SAMs on flat gold surfaces were made at 9 different photoelectron take-off angles (5o to 85o in 5o increments), corrected using geometric weighting factors and then summed together to approximate spherical AuNPs. The SAM thickness and relative surface roughness (RSA) in SESSA were optimized to determine the best agreement between simulated and experimental surface composition. Based on the glancing angle results, it was found that inclusion of a hydrocarbon contamination layer on top the C16 COOH-SAM was necessary to improve the agreement between the SESSA and XPS results. For the 16 COOH-SAMs on flat Au surfaces, using a SAM thickness of 1.1Å/CH2 group, an RSA of 1.05 and a 1.5Å CH2-contamination overlayer (total film thickness = 21.5Å) for the SESSA calculations provided the best agreement with the experimental XPS data. After applying the appropriate geometric corrections and summing the SESSA flat surface compositions, the best fit results for the 16 COOH-SAM thickness and surface roughness on the AuNPs were determined to be 0.9Å/CH2 group and 1.06 RSA with a 1.5Å CH2-contamination overlayer (total film thickness = 18.5Å). The three angstrom difference in SAM thickness between the flat Au and AuNP surfaces suggests the alkyl chains of the SAM are slightly more tilted or disordered on the AuNP surfaces.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
NASA NTRS1985

The energy spectra of solar flare electrons

A survey of 50 electron energy spectra from .1 to 100 MeV originating from solar flares was made by the combination of data from two spectrometers onboard the International Sun Earth Explorer-3 spacecraft. The observed spectral shapes of flare events can be divided into two classes through the criteria of fit to an acceleration model. This standard two step acceleration model, which fits the spectral shape of the first class of flares, involves an impulsive step that accelerates particles up to 100 keV and a second step that further accelerates these particles up to 100 MeV by a single shock. This fit fails for the second class of flares that can be characterized as having excessively hard spectra above 1 MeV relative to the predictions of the model. Correlations with soft X-ray and meter radio observations imply that the acceleration of the high energy particles in the second class of flares is dominated by the impulsive phase of the flares.

Evenson, P. A.↗
NASA NTRS1973

Ferromagnetic phases of lunar fines and breccias - Electron magnetic resonance spectra of Apollo 16 samples

Electron magnetic resonance measurements have been made at 9 GHz and at temperatures from 1.2 to 400 K and 35 GHz (300 K) on samples of fines and breccias from Apollo 11-16. Unsorted Apollo 16 fines (less than 1 mm) have Delta H (average) = 580 G and specific intensities that have the same range as fines from the other Apollo collections. The magnetic properties of the 'characteristic' resonance are not in accord with those of iron particles. On the bases of the properties of the 'characteristic' resonance as a function of temperature and Apollo site, laboratory heat treatments on synthetic materials and lunar crystalline rocks and a comparison with the 'characteristic' resonance of the resonance spectra of breccia specimens for which iron particle sizes have been determined from other measurements, it is suggested that some fraction (about 20%) of the 'characteristic' resonance is due to sub-micron particles of ferric oxide phases.

Weeks, R. A.↗
DOE OSTI2016

Time of flight spectrometer for background-free positron annihilation induced Auger electron spectroscopy

We describe a novel spectrometer designed for positron annihilation induced Auger electron spectroscopy employing a time-of-flight spectrometer. The spectrometer’s new configuration enables us to implant monoenergetic positrons with kinetic energies as low as 1.5 eV on the sample while simultaneously allowing for the detection of electrons emitted from the sample surface at kinetic energies ranging from ∼500 eV to 0 eV. The spectrometer’s unique characteristics made it possible to perform (a) first experiments demonstrating the direct transition of a positron from an unbound scattering state to a bound surface state and (b) the first experiments demonstrating that Auger electron spectra can be obtained down to 0 eV without the beam induced secondary electron background obscuring the low energy part of the spectra. Data are presented which show alternative means of estimating positron surface state binding energy and background-free Auger spectra.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2012

Quasi-monoenergetic electron beams production in a sharp density transition

Using a laser plasma accelerator, experiments with a 80 TW and 30 fs laser pulse demonstrated quasi-monoenergetic electron spectra with maximum energy over 0.4 GeV. This is achieved using a supersonic He gas jet and a sharp density ramp generated by a high intensity laser crossing pre-pulse focused 3 ns before the main laser pulse. By adjusting this crossing pre-pulse position inside the gas jet, among the laser shots with electron injection, more than 40% can produce quasi-monoenergetic spectra. This could become a relatively straight forward technique to control laser wakefield electron beams parameters.

43 PARTICLE ACCELERATORS↗
NASA NTRS1991

Unsaturated Comptonization of isotropic photon spectra by relativistic electrons

The multiple scattering approach for evaluating the transformation of an arbitrary soft photon spectrum as a result of unsaturated Compton scatterings in a medium of relativistic electrons is explored. The medium is assumed to be infinite and spatially homogeneous but may be time-dependent, and the photons are isotropic. It is shown that the distortion of a radiation spectrum can be described analytically in a compact form using the Fourier transform of the single-scattering probability. In the nonrelativistic case, the validity of the known analytical results derived from the Kompaneets (1957) equation is extended to arbitrary electron distribution functions and photon spectra. For relativistic electrons, simple expressions are obtained for the total energy that is transferred from the electrons to the photons and for the distortion in the Rayleigh-Jeans regime of a blackbody spectrum. It is demonstrated that the treatment applies to Comptonization in a relativistic jet and that Comptonization of very soft trapped photons by semirelativistic electrons in an expanding medium leads naturally to a log Gaussian spectrum, of the form observed in blazars.

Loeb, Abraham↗
DOE OSTI2019

Lithium-based transition-metal oxides for battery electrodes analyzed by x-ray photoelectron spectroscopy. V. LiNi 0.4 Co 0.3 0.3 O 2

X-ray photoelectron spectroscopy (XPS) and x-ray-induced Auger electron spectroscopy were used to analyze untreated LiNi 0.4 Co 0.3 Mn 0.3 O 2 powder obtained from TODA America. X-ray photoelectron and x-ray-induced Auger electron spectra were obtained using incident monochromatic Al Kα radiation at 0.834 01 nm. A survey spectrum together with Ni 2p, Co 2p, Mn 2p, Ni LMM, O 1s, C 1s, Ni 3s, Co 3s, Mn 3s, Ni 3p, Co 3p, Li 1s, and Mn 3p are presented. The spectra indicate the principal core level photoelectron and Auger electron signals. Making use of the O 1s, Ni 3p, Co 3p, Mn 3p, and Li 1s lines and neglecting the components related to surface contaminants, XPS quantitative analysis reveals an altered stoichiometry of the air-exposed powder surface of LiN i0.4 Co 0.2 Mn 0.3 O 1.6 .

25 ENERGY STORAGE↗
DOE OSTI2019

Lithium-based transition-metal oxides for battery electrodes analyzed by x-ray photoelectron spectroscopy. IX. LiCoO 2

X-ray photoelectron spectroscopy (XPS) and x-ray-induced Auger electron spectroscopy were used to analyze untreated LiCoO 2 powder obtained from BTR New Energy Materials, Inc. X-ray photoelectron and x-ray-induced Auger electron spectra were obtained using incident monochromatic Al Kα radiation at 0.834 01 nm. A survey spectrum together with Co 2p, O 1s, C 1s, Co 3s, Co 3p, and Li 1s are presented. The spectra indicate the principal core level photoelectron and Auger electron signals and show only minor tin contamination. Making use of the O 1s, Co 3p, and Li 1s lines and neglecting the components related to surface contaminants, XPS quantitative analysis reveals an altered stoichiometry of the air-exposed powder surface of LiCo 0.9 O 1.7 .

25 ENERGY STORAGE↗
DOE OSTI2019

Lithium-based transition-metal oxides for battery electrodes analyzed by x-ray photoelectron spectroscopy. VIII. Li 1.2 Ni 0.15 Co 0.1 Mn 0.55 O 2

X-ray photoelectron spectroscopy (XPS) and x-ray-induced Auger electron spectroscopy were used to analyze untreated Li 1.2 Ni 0.15 Co 0.1 Mn 0.55 O 2 powder obtained from TODA America. X-ray photoelectron and x-ray-induced Auger electron spectra were obtained using incident monochromatic Al Kα radiation at 0.83 01 nm. A survey spectrum together with Ni 2p, Co 2p, Mn 2p, Ni LMM, O 1s, C 1s, Ni 3s, Co 3s, Mn 3s, Ni 3p, Co 3p, Li 1s, and Mn 3p are presented. The spectra indicate the principal core level photoelectron and Auger electron signals. Making use of the O 1s, Ni 3p, Co 3p, Mn 3p, and Li 1s lines and neglecting the components related to surface contaminants, XPS quantitative analysis reveals an altered stoichiometry of the air-exposed powder surface of Li 1.2 Ni 0.4 Co 0.2 Mn 0.9 O 2.8 .

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2019

Lithium-based transition-metal oxides for battery electrodes analyzed by x-ray photoelectron spectroscopy. X. Li 4 Ti 5 O 12

X-ray photoelectron spectroscopy (XPS) and x-ray-induced Auger electron spectroscopy were used to analyze untreated Li 4 Ti 5 O 12 powders obtained from Ishihara Sangyo Kaisha, Ltd. and Samsung Fine Chemicals Company, Ltd. X-ray photoelectron and x-ray-induced Auger electron spectra were obtained using incident monochromatic Al Kα radiation at 0.834 01 nm. A survey spectrum together with O 1s, Ti 2p, C 1s, Ti 3s, Li 1s, and Ti 3p are presented. The spectra indicate the principal core level photoelectron and Auger electron signals and show only minor potassium signal. Making use of the O 1s, Li 1s, and Ti 3p lines and neglecting the components related to surface contaminants, XPS quantitative analysis reveals an altered stoichiometry of the air-exposed powder surfaces from Ishihara Sangyo Kaisha, Ltd. and Samsung Fine Chemicals Company, Ltd. of Li 4 Ti 4.7 O 14.1 and Li 4 Ti 4.3 O 13.2 , respectively.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2013

THE POWER-LAW SPECTRA OF ENERGETIC PARTICLES DURING MULTI-ISLAND MAGNETIC RECONNECTION

Power-law distributions are a near-universal feature of energetic particle spectra in the heliosphere. Anomalous cosmic rays (ACRs), super-Alfvenic ions in the solar wind, and the hardest energetic electron spectra in flares all have energy fluxes with power laws that depend on energy E approximately as E {sup -1.5}. We present a new model of particle acceleration in systems with a bath of merging magnetic islands that self-consistently describes the development of velocity-space anisotropy parallel and perpendicular to the local magnetic field and includes the self-consistent feedback of pressure anisotropy on the merging dynamics. By including pitch-angle scattering we obtain an equation for the omnidirectional particle distribution f (v, t) that is solved in closed form to reveal v {sup -5} (corresponding to an energy flux varying as E {sup -1.5}) as a near-universal solution as long as the characteristic acceleration time is short compared with the characteristic loss time. In such a state, the total energy in the energetic particles reaches parity with the remaining magnetic free energy. More generally, the resulting transport equation can serve as the basis for calculating the distribution of energetic particles resulting from reconnection in large-scale inhomogeneous systems.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2015

Dynamical effects in electron spectroscopy

One of the big challenges of theoretical condensed-matter physics is the description, understanding, and prediction of the effects of the Coulomb interaction on materials properties. In electronic spectra, the Coulomb interaction causes a renormalization of energies and change of spectral weight. Most importantly, it can lead to new structures, often called satellites. These can be linked to the coupling of excitations, also termed dynamical effects. State-of-the-art methods in the framework of many-body perturbation theory, in particular, the widely used GW approximation, often fail to describe satellite spectra. Instead, approaches based on a picture of electron-boson coupling such as the cumulant expansion are promising for the description of plasmon satellites. In this work, we give a unified derivation of the GW approximation and the cumulant expansion for the one-body Green’s function. Using the example of bulk sodium, we compare the resulting spectral functions both in the valence and in the core region, and we discuss the dispersion of quasi-particles and satellites. We show that self-consistency is crucial to obtain meaningful results, in particular, at large binding energies. Very good agreement with experiment is obtained when the intrinsic spectral function is corrected for extrinsic and interference effects. Finally, we sketch how one can approach the problem in the case of the two-body Green’s function, and we discuss the cancellation of various dynamical effects that occur in that case.

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

Ultrabroadband two-quantum two-dimensional electronic spectroscopy

A recent theoretical study proposed that two-quantum (2Q) two-dimensional (2D) electronic spectroscopy should be a background-free probe of post-Hartree–Fock electronic correlations. Testing this theoretical prediction requires an instrument capable of not only detecting multiple transitions among molecular excited states but also distinguishing molecular 2Q signals from nonresonant response. Herein we describe a 2Q 2D spectrometer with a spectral range of 300 nm that is passively phase stable and uses only beamsplitters and mirrors. We developed and implemented a dual-chopping balanced-detection method to resolve the weak molecular 2Q signals. Experiments performed on cresyl violet perchlorate and rhodamine 6G revealed distinct 2Q signals convolved with nonresonant response. Density functional theory computations helped reveal the molecular origin of these signals. The experimental and computational results demonstrate that 2Q electronic spectra can provide a singular probe of highly excited electronic states.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2013

Dynamics of the phase transitions in the system of nonequilibrium charge carriers in quantum-dimensional Si{sub 1−x}Ge{sub x}/Si structures

The dynamics of the phase transition from an electron-hole plasma to an exciton gas is studied during pulsed excitation of heterostructures with Si{sub 1−x}Ge{sub x}/Si quantum wells. The scenario of the phase transition is shown to depend radically on the germanium content in the Si{sub 1−x}Ge{sub x} layer. The electron-hole system decomposes into a rarefied exciton and a dense plasma phases for quantum wells with a germanium content x = 3.5% in the time range 100–500 ns after an excitation pulse. In this case, the electron-hole plasma existing in quantum wells has all signs of an electron-hole liquid. A qualitatively different picture of the phase transition is observed for quantum wells with x = 9.5%, where no separation into phases with different electronic spectra is detected. The carrier recombination in the electron-hole plasma leads a gradual weakening of screening and the appearance of exciton states. For a germanium content of 5–7%, the scenario of the phase transition is complex: 20–250 ns after an excitation pulse, the properties of the electron-hole system are described in terms of a homogeneous electron-hole plasma, whereas its separation into an electron-hole liquid and an exciton gas is detected after 350 ns. It is shown that, for the electron-hole liquid to exist in quantum wells with x = 5–7% Ge, the exciton gas should have a substantially higher density than in quantum wells with x = 3.5% Ge. This finding agrees with a decrease in the depth of the local minimum of the electron-hole plasma energy with increasing germanium concentration in the SiGe layer. An increase in the density of the exciton gas coexisting with the electron-hole liquid is shown to enhance the role of multiparticle states, which are likely to be represented by trions T{sup +} and biexcitons, in the exciton gas.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗