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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 361 records · Page 20
All sourcesNASA NTRSDOE OSTI
DOE OSTI2015

Distribution of free carriers near heavily-doped epitaxial surfaces of n-type Ge(100) upon HF and HCl treatments

Carrier distributions near n-type epitaxially-grown Ge(100) surfaces with high impurity concentrations (1 × 10{sup 20} cm{sup −3}) were studied using high resolution electron energy loss spectroscopy (HREELS) upon surface treatments in aqueous solutions of HF and HCl. After surface treatments with HCl and HF, the molecular vibration modes distinctly showed either chloride or hydride terminations of Ge surfaces with negligible oxidation. The free-carrier concentration profile was inferred from the conduction band plasmon measurements as a function of the incident electron energies employing a dielectric theory simulation with a 4-layer structure and an effective electron mass of 0.02m{sub 0}. A carrier-free layer of 40 and 24 Å were derived for HCl- and HF-treated Ge(100), respectively. The surface band bending was estimated to be 0.32 eV for HF-treated Ge. HCl-treated Ge surfaces showed a band bending of 0.91 eV attributed to the strong effect of the surface Cl-Ge dipole.

36 MATERIALS SCIENCE↗
DOE OSTI2012

Verification and validation of linear gyrokinetic simulation of Alfven eigenmodes in the DIII-D tokamak

A verification and validation study is carried out for a sequence of reversed shear Alfven instability time slices. The mode frequency increases in time as the minimum (q{sub min}) in the safety factor profile decreases. Profiles and equilibria are based upon reconstructions of DIII-D discharge (no. 142111) in which many such frequency up-sweeping modes were observed. Calculations of the frequency and mode structure evolution from two gyrokinetic codes, GTC and GYRO, and a gyro-Landau fluid code TAEFL are compared. The experimental mode structure of the instability was measured using time-resolved two-dimensional electron cyclotron emission imaging. The three models reproduce the frequency upsweep event within {+-}10% of each other, and the average of the code predictions is within {+-}8% of the measurements; growth rates are predicted that are consistent with the observed spectral line widths. The mode structures qualitatively agree with respect to radial location and width, dominant poloidal mode number, ballooning structure, and the up-down asymmetry, with some remaining differences in the details. Such similarities and differences between the predictions of the different models and the experimental results are a valuable part of the verification/validation process and help to guide future development of the modeling efforts.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2019

Influence of Al doping concentration on the opto-electronic chattels of SnS thin films readied by NSP

Herein, we limelight the key features of SnS thin films coated by spray pyrolysis process with different Al doping concentrations. The SnS thin films coated with different Al concentration (0, 2, 4, 6 at wt%) were characterized by various techniques. Structural parameters studied by XRD data revealed that all the prepared films were orthorhombic crystal structure with (111) as a preferential direction. Raman spectroscopy showed the presence of Ag, B{sub 1g}, B{sub 2g}, and B{sub 3g} vibration modes at their corresponding wave numbers. Concentration dependent granular change of Al:SnS films were shown by AFM images. The presence of Sn, S and Al element without any other impurities was confirmed through EDAX picture. UV studies revealed the shrinkage of band gap from 1.97 to 1.72 eV on increasing the Al doping concentration from 0% to 4 at wt%. Room temperature PL showed a high intense red shift, as emission observed at 722 nm for 4% of Al doped SnS thin film. Hall measurements exhibited p-type conducting nature of undoped and Al doped SnS films. The films showed a lowest resistivity of 2.695×10{sup −1} Ω cm for 4 at wt% Al doping concentration. 0.093% efficiency was obtained for the solar cell device fabricated by 4 at wt% of Al doped SnS thin film.

77 NANOSCIENCE AND NANOTECHNOLOGY↗
DOE OSTI2015

Mechanosynthesis and structural characterization of nanocrystalline Ce{sub 1–x}Y{sub x}O{sub 2–δ} (x=0.1–0.35) solid solutions

A series of nanostructured fluorite-type Ce{sub 1–x}Y{sub x}O{sub 2–δ} (0≤x≤0.35) solid solutions, prepared via high-energy milling of the CeO{sub 2}/Y{sub 2}O{sub 3} mixtures, are investigated by XRD, HR-TEM, EDS and Raman spectroscopy. For the first time, complementary information on both the long-range and short-range structural features of mechanosynthesized Ce{sub 1–x}Y{sub x}O{sub 2–δ}, obtained by Rietveld analysis of XRD data and Raman spectroscopy, is provided. The lattice parameters of the as-prepared solid solutions decrease with increasing yttrium content. Rietveld refinements of the XRD data reveal increase in microstrains in the host ceria lattice as a consequence of yttrium incorporation. Raman spectra are directly affected by the presence of oxygen vacancies; their existence is evidenced by the presence of vibration modes at ~560 and ~600 cm{sup –1}. The detailed spectroscopic investigations enable us to separate extrinsic and intrinsic origin of oxygen vacancies. It is demonstrated that mechanosynthesis can be successfully employed in the one-step preparation of nanocrystalline Ce{sub 1–x}Y{sub x}O{sub 2–δ} solid solutions. - Graphical abstract: Mechanosynthesis of nanocrystalline Ce{sub 1–x}Y{sub x}O{sub 2–δ} (x=0.1–0.35) solid solutions. - Highlights: • One-step mechanosynthesis of nanoscale Ce{sub 1–x}Y{sub x}O{sub 2–δ} (0≤x≤0.35) solid solutions. • Complementary information on the long-range and short-range structural features of mechanosynthesized Ce{sub 1–x}Y{sub x}O{sub 2–δ} is provided. • Structural variations as a response to the yttrium doping. • Separation of extrinsic and intrinsic origin of the induced oxygen vacancies.

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

Contribution of the entropy on the thermodynamic equilibrium of vacancies in nickel

The equilibrium vacancy concentration in nickel was determined from ab initio calculations performed with both generalized gradient approximation and local density approximation up to the melting point. We focus the study on the vacancy formation entropy expressed as a sum of a vibration and an electronic contribution, which were determined from the vibration modes and the electronic densities of states. Applying a method based on the quasi-harmonic approximation, the temperature dependence of the defect formation energy and entropy were calculated. We show that the vibrations of the first shell of atoms around the defect are predominant to the vibration formation entropy. On the other hand, the electronic formation entropy is very sensitive to the exchange-correlation potential used for the calculations. Finally, the vacancy concentration is computed at finite temperature with the calculated values for the defect formation energy and entropy. In order to reconcile point-defects concentration obtained with our calculations and experimental data, we conducted complementary calorimetric measurements of the vacancy concentration in the 1073–1273 K temperature range. Close agreement between theory and experiments at high temperature is achieved if the calculations are performed with the generalized gradient approximation and both vibration and electronic contributions to the formation entropy are taken into account.

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

Relationship between Eu{sup 3+} reduction and glass polymeric structure in Al{sub 2}O{sub 3}-modified borate glasses under air atmosphere

The reduction of Eu{sup 3+} to Eu{sup 2+} is realized efficiently in Eu{sub 2}O{sub 3}-doped borate glasses prepared under air condition by melting-quenching method. Luminescent spectra show an increasing tendency of Eu{sup 2+} emission with increasing Al{sub 2}O{sub 3} concentration in B{sub 2}O{sub 3}–Na{sub 2}O glasses. It is interesting that significant enhancement appeared of Eu{sup 2+} luminescence in the Al{sub 2}O{sub 3}-rich sample comparing to the samples of Al{sub 2}O{sub 3} less than 6 mol%. FTIR and Raman scattering measurements indicated that some new vibration modes assigned to the low-polymerized structure groups decomposed from the slight Al{sub 2}O{sub 3} dopant samples. These results demonstrated that the polymerization of the glass structure decreased with increasing incorporation of Al{sub 2}O{sub 3} into the borate glasses, linking to the efficiency of Eu{sup 3+} self-reduction in air at high temperature. - graphical abstract: A novel europium valence reduction phenomenon occurred in Al{sub 2}O{sub 3} modified borate glasses, FTIR and Raman measurements revealed that high polymeric groups were destroyed to low polymery structures with Al{sub 2}O{sub 3} addition. - Highlights: • The efficient reduction of Eu{sup 3+} to Eu{sup 2+} is observed in the B{sub 2}O{sub 3}–Na{sub 2}O glasses. • Eu{sup 2+} luminescence is significant enhanced in the Al{sub 2}O{sub 3}-rich glasses. • The introduction of Al{sub 2}O{sub 3} changed the network structure of the borate glasses. • High polymeric borate groups in the glass matrix may be destroyed to the lower ones.

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

High burn-up spent nuclear fuel vibration integrity study - 15134

The Oak Ridge National Laboratory (ORNL) has developed the cyclic integrated reversible-bending fatigue tester (CIRFT) approach to successfully demonstrate the controllable fatigue fracture of high burnup (HBU) spent nuclear fuel (SNF) in a normal vibration mode. CIRFT enables examination of the underlying mechanisms of SNF system dynamic performance. Due to the inhomogeneous composite structure of the SNF system, the detailed mechanisms of pellet-pellet and pellet-clad interactions and the stress concentration effects at the pellet-pellet interface cannot be readily obtained from a CIRFT system measurement. Therefore, finite element analyses (FEAs) are being used to complement the experimental work by estimating values of local stresses and strains from the measured global moment-curvature. These results and their implications will be used for further investigation. Major findings of CIRFT on the HBU SNF are as follows: - The degree of bonding between pellets, as well as the bonding between pellets and clad in the SNF system plays an important role in the vibration performance of SNF. - Fuel structure contributes to SNF system stiffness. - There are significant variations in stress and curvature of SNF systems during vibration cycles resulting from segment pellet and clad interactions. - SNF failure initiates at the pellet-pellet interface region and appears to be spontaneous. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2011

TESTING OF THE DUAL ROTARY FILTER SYSTEM

The Savannah River National Laboratory (SRNL) installed and tested two hydraulically connected SpinTek rotary microfilter (RMF) units to determine the behavior of a multiple filter system. Both units were successfully controlled by a control scheme written in DELTA-V architecture by Savannah River Remediation (SRR) Process Control Engineering personnel. The control system was tuned to provide satisfactory response to changing conditions during the operation of the multi-filter system. Stability was maintained through the startup and shutdown of one of the filter units while the second was still in operation. The installation configuration originally proposed by the Small Colum Ion Exchange (SCIX) project of independent filter and motor mountings may be susceptible to vibration. Significant stiffening of the filter and motor mounts was required to minimize the vibration. Alignment of the motor to the filter was a challenge in this test configuration. The deployment configuration must be easy to manipulate and allow for fine adjustment. An analysis of the vibration signature of the test system identified critical speeds. Whether it corresponds to the resonance frequency of a rotor radial vibration mode that was excited by rotor unbalance is uncertain based upon the measurements. A relative motion series should be completed on the filter with the final shaft configuration to determine if the resonances exist in the final filter design. The instrumentation selected for deployment, including the concentrate discharge control valve and flow meters, performed well. Automation of the valve control integrated well with the control scheme and when used in concert with the other control variables, allowed automated control of the dual RMF system. The one area of concern with the instrumentation was the condition resulting when the filtrate flow meter operated with less than three gpm. This low flow was at the lower range of performance for the flow meter. This should not be an issue in deployment where the desired flow rate will be within the normal operating range of the meter. Testing demonstrated that the use of a flexible line for the filtrate discharge is highly desired at the outlet of the rotary union to transition to the system piping. Isolating the vibration from the rotary union will significantly improve the lifetime of the seals. Methods to monitor and isolate individual filters should be considered during deployment. The ability to diagnose issues and isolate individual filters would allow isolation prior to failure. Thus, filters may be cleaned or repaired instead of requiring complete replacement if the condition were to continue unnoticed. Isolating the filtrate line of each filter during startup will minimize the premature buildup of solids on the filter disks. Several tests have shown that the method of filter startup can improve performance lifetime of the filters. The installation must factor in an air inlet for the draining of a filter that does not involve a reverse flow through the filter disks. The reverse flow may cause deformation of the disks or may damage other components of the filters themselves.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2014

Isolating the anthropogenic component of Arctic warming

Structural equation modeling is used in statistical applications as both confirmatory and exploratory modeling to test models and to suggest the most plausible explanation for a relationship between the independent and the dependent variables. Although structural analysis cannot prove causation, it can suggest the most plausible set of factors that influence the observed variable. Here, we apply structural model analysis to the annual mean Arctic surface air temperature from 1900 to 2012 to find the most effective set of predictors and to isolate the anthropogenic component of the recent Arctic warming by subtracting the effects of natural forcing and variability from the observed temperature. We also find that anthropogenic greenhouse gases and aerosols radiative forcing and the Atlantic Multidecadal Oscillation internal mode dominate Arctic temperature variability. Finally, our structural model analysis of observational data suggests that about half of the recent Arctic warming of 0.64 K/decade may have anthropogenic causes.

54 ENVIRONMENTAL SCIENCES↗
DOE OSTI2017

Two-mode generalization of the Jaynes–Cummings and Anti-Jaynes–Cummings models

We introduce two generalizations of the Jaynes–Cummings (JC) model for two modes of oscillation. The first model is formed by two Jaynes–Cummings interactions, while the second model is written as a simultaneous Jaynes–Cummings and Anti-Jaynes–Cummings (AJC) interactions. We study some of its properties and obtain the energy spectrum and eigenfunctions of these models by using the tilting transformation and the Perelomov number coherent states of the two-dimensional harmonic oscillator. Moreover, as physical applications, we connect these new models with two important and novel problems: The relativistic non-degenerate parametric amplifier and the relativistic problem of two coupled oscillators.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2013

Linear analysis of time dependent properties of Child-Langmuir flow

We continue our analysis of the time dependent behavior of the electron flow in the Child-Langmuir system, removing an approximation used earlier. We find a modified set of oscillatory decaying modes with frequencies of the same order as the inverse of the electron transient time. This range (typically MHz) allows simple experimental detection and maybe exploitation. We then study the time evolution of the current in response to a slow change of the anode voltage where the same modes of oscillations appear too. The cathode current in this case is systematically advanced or retarded depending on the direction of the voltage change.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2013

Numerical simulation of geodesic acoustic modes in a multi-ion system

Based on the semi-Lagrangian method, a δf drift kinetic continuum code incorporating magnetic flux coordinate was developed and applied to investigate the geodesic acoustic mode (GAM) oscillation in a multi-ion plasma system. This work proves clearly that the effective ion mass number affects the GAM in a multi-ion system. In this simulation, GAM frequency and damping rate are seen to vary with the proportion of impurity ions. The numerical result is consistent with the theoretical prediction in terms of both frequency and damping rate.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Time-dependent approach to spin-vibronic coupling: Implementation and assessment

In this work, we present the generalization of a time-dependent method for the calculation of intersystem crossing (ISC) rates in the Condon approximation. When ISC takes place between electronic states with the same orbital type, i.e., when the transition is forbidden according to the El-Sayed rules, it is necessary to go beyond the Condon approximation. Similar to the Herzberg-Teller expansion of the vibronic interaction, the electronic spin–orbit matrix elements are assumed to depend linearly on the nuclear coordinates. The ISC rate is then a sum of three contributions: a direct, mixed direct-vibronic, and vibronic term. The method, presented in this work, is based on the generating function formalism and the multi-mode harmonic oscillator approximation. In addition to the zero-temperature case, we implemented formulae for finite-temperature conditions assuming a Boltzmann population of vibrational levels in the initial state. Tests have been carried out for a variety of molecules for which literature data were available. We computed vibronic one-photon spectra of free-base porphyrin and free-base chlorin and calculated ISC rates for xanthone, thioxanthone, thionine, as well as free-base porphyrin and found excellent agreement with previous results. Quantitative rates for triplet formation in rhodamine A have been determined theoretically for the first time. We find the S{sub 1}↝ T{sub 2} channel to be the major source of triplet rhodamine formation in the gas phase.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2014

A low-noise transimpedance amplifier for the detection of “Violin-Mode” resonances in advanced Laser Interferometer Gravitational wave Observatory suspensions

This paper describes the design and performance of an extremely low-noise differential transimpedance amplifier, which takes its two inputs from separate photodiodes. The amplifier was planned to serve as the front-end electronics for a highly sensitive shadow-displacement sensing system, aimed at detecting very low-level “Violin-Mode” (VM) oscillations in 0.4 mm diameter by 600 mm long fused-silica suspension fibres. Four such highly tensioned fibres support the 40 kg test-masses/mirrors of the Advanced Laser Interferometer Gravitational wave Observatory interferometers. This novel design of amplifier incorporates features which prevent “noise-gain peaking” arising from large area photodiode (and cable) capacitances, and which also usefully separate the DC and AC photocurrents coming from the photodiodes. In consequence, the differential amplifier was able to generate straightforwardly two DC outputs, one per photodiode, as well as a single high-gain output for monitoring the VM oscillations—this output being derived from the difference of the photodiodes’ two, naturally anti-phase, AC photocurrents. Following a displacement calibration, the amplifier's final VM signal output was found to have an AC displacement responsivity at 500 Hz of (9.43 ± 1.20) MV(rms) m{sup −1}(rms), and, therefore, a shot-noise limited sensitivity to such AC shadow- (i.e., fibre-) displacements of (69 ± 13) picometres/√Hz at this frequency, over a measuring span of ±0.1 mm.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2015

Analysis of the stochastic excitability in the flow chemical reactor

A dynamic model of the thermochemical process in the flow reactor is considered. We study an influence of the random disturbances on the stationary regime of this model. A phenomenon of noise-induced excitability is demonstrated. For the analysis of this phenomenon, a constructive technique based on the stochastic sensitivity functions and confidence domains is applied. It is shown how elaborated technique can be used for the probabilistic analysis of the generation of mixed-mode stochastic oscillations in the flow chemical reactor.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Structural, electronic and vibrational properties of lanthanide monophosphide at high pressure

A first-principles plane wave self-consistent method with the ultra-soft-pseudopotential scheme in the framework of the density functional theory (DFT) is performed to study structural, electronic and vibrational properties of LaP for Rock-salt (NaCl/Bl) and Cesium-chloride (CsCl/B2) phases. The instability of Rock-salt (NaCl/Bl) phases around the transition is discussed. Conclusions based on electronic energy band structure, density of state, phonon dispersion and phonon density of states in both phases are outlined. The calculated results are consistence and confirm the successful applicability of quasi-harmonic phonon theory for structural instability studies for the alloys.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗