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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 397 records · Page 22
All sourcesNASA NTRSDOE OSTI
DOE OSTI2014

Plastic fiber scintillator response to fast neutrons

The Neutron Imaging System at NIF uses an array of plastic scintillator fibers in conjunction with a time-gated imaging system to form an image of the neutron emission from the imploded capsule. By gating on neutrons that have scattered from the 14.1 MeV DT energy to lower energy ranges, an image of the dense, cold fuel around the hotspot is also obtained. An unmoderated spallation neutron beamline at the Weapons Neutron Research facility at Los Alamos was used in conjunction with a time-gated imaging system to measure the yield of a scintillating fiber array over several energy bands ranging from 1 to 15 MeV. The results and comparison to simulation are presented.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Local structure and structural rigidity of the green phosphor β-SiAlON:Eu{sup 2+}

Eu{sup 2+} inserted in β-Si{sub 3−x}Al{sub x}O{sub x}N{sub 4−x} is a material that shows exceptional promise as a green-emitting phosphor. Synchrotron X-ray and neutron scattering, in conjunction with first-principles calculations and Eu L{sub 3} X-ray absorption measurements, yield a consistent picture of the composition, and the favorable position for Eu{sup 2+} substitution in the crystal structure. The Debye temperature Θ{sub D}, which is a proxy for structural rigidity relating to effectiveness as a phosphor, is very high for the starting β-Si{sub 3}N{sub 4} framework and is determined to decrease only slightly for the small amounts of Al{sup 3+} and O{sup 2−} co-substitution that are required for charge balance associated with Eu{sup 2+} insertion.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Improved thermoelectric performance of n-type Ca and Ca-Ce filled skutterudites

Thermoelectric (TE) technology for use in automotive waste heat recovery is being advanced by General Motors with support from the US Department of Energy. Skutterudites are a very promising material for this application of TE technology due to their superior mechanical properties and good TE performance. Double-filled Yb{sub x}Ba{sub y}Co{sub 4}Sb{sub 12} with ZT values around 1.1 at 750 K are the best performing n-type skutterudites produced on a large scale using an economically viable approach of melt spinning (MS) in conjunction with spark plasma sintering (SPS). Another economical production method on the tons scale, the melt quench annealing (MQA) technique, has been recently claimed by Treibacher Industrie AG, further information is available [G. Rogl et al., Acta Mater. 76, 434–448 (2014)]. A possible hurdle to commercial implementation of these materials is the use of rare earths as the fillers to reduce thermal conductivity and improve the electrical transport properties. It will be shown herein that skutterudites double-filled with Ca and Ce, both of which are lower-cost fillers, display markedly different TE properties depending on whether they are produced by MQA or MS + SPS synthesis techniques. Ca and Ce double-filled skutterudites prepared by MS + SPS have TE properties that are superior to the same compositions prepared by MQA and that are comparable to the best performing Yb and Ba filled materials. Furthermore, the results of this study suggest that the unusually poor transport properties of MQA Ca-filled skutterudites can be ascribed to deleterious secondary phases, which is contrary to reports in the literature attempting to explain these irregularities via band structure features.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Direct minority carrier transport characterization of InAs/InAsSb superlattice nBn photodetectors

We present an extensive characterization of the minority carrier transport properties in an nBn mid-wave infrared detector incorporating a Ga-free InAs/InAsSb type-II superlattice as the absorbing region. Using a modified electron beam induced current technique in conjunction with time-resolved photoluminescence, we were able to determine several important transport parameters of the absorber region in the device, which uses a barrier layer to reduce dark current. For a device at liquid He temperatures we report a minority carrier diffusion length of 750 nm and a minority carrier lifetime of 202 ns, with a vertical diffusivity of 2.78 x 10 –2 cm 2 /s. We also report on the device's optical response characteristics at 78 K.

36 MATERIALS SCIENCE↗
DOE OSTI2015

On the validity of the basis set superposition error and complete basis set limit extrapolations for the binding energy of the formic acid dimer

We report the variation of the binding energy of the Formic Acid Dimer with the size of the basis set at the Coupled Cluster with iterative Singles, Doubles and perturbatively connected Triple replacements [CCSD(T)] level of theory, estimate the Complete Basis Set (CBS) limit, and examine the validity of the Basis Set Superposition Error (BSSE)-correction for this quantity that was previously challenged by Kalescky, Kraka, and Cremer (KKC) [J. Chem. Phys. 140, 084315 (2014)]. Our results indicate that the BSSE correction, including terms that account for the substantial geometry change of the monomers due to the formation of two strong hydrogen bonds in the dimer, is indeed valid for obtaining accurate estimates for the binding energy of this system as it exhibits the expected decrease with increasing basis set size. We attribute the discrepancy between our current results and those of KKC to their use of a valence basis set in conjunction with the correlation of all electrons (i.e., including the 1s of C and O). We further show that the use of a core-valence set in conjunction with all electron correlation converges faster to the CBS limit as the BSSE correction is less than half than the valence electron/valence basis set case. The uncorrected and BSSE-corrected binding energies were found to produce the same (within 0.1 kcal/mol) CBS limits. We obtain CCSD(T)/CBS best estimates for D{sub e} = − 16.1 ± 0.1 kcal/mol and for D{sub 0} = − 14.3 ± 0.1 kcal/mol, the later in excellent agreement with the experimental value of −14.22 ± 0.12 kcal/mol.

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

The impact of plasma dynamics on the self-magnetic-pinch diode impedance

In this study, the self-magnetic-pinch diode is being developed as an intense electron beam source for pulsed-power-driven x-ray radiography. The basic operation of this diode has long been understood in the context of pinched diodes, including the dynamic effect that the diode impedance decreases during the pulse due to electrode plasma formation and expansion. Experiments being conducted at Sandia National Laboratories' RITS-6 accelerator are helping to characterize these plasmas using time-resolved and time-integrated camera systems in the x-ray and visible. These diagnostics are analyzed in conjunction with particle-in-cell simulations of anode plasma formation and evolution. The results confirm the long-standing theory of critical-current operation with the addition of a time-dependent anode-cathode gap length. The results may suggest that anomalous impedance collapse is driven by increased plasma radial drift, leading to larger-than-average ion v r × B θ acceleration into the gap.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2015

Acoustic travel time gauges for in-situ determination of pressure and temperature in multi-anvil apparatus

In this study, we developed a new method for in-situ pressure determination in multi-anvil, high-pressure apparatus using an acoustic travel time approach within the framework of acoustoelasticity. The ultrasonic travel times of polycrystalline Al{sub 2}O{sub 3} were calibrated against NaCl pressure scale up to 15 GPa and 900 °C in a Kawai-type double-stage multi-anvil apparatus in conjunction with synchrotron X-radiation, thereby providing a convenient and reliable gauge for pressure determination at ambient and high temperatures. The pressures derived from this new travel time method are in excellent agreement with those from the fixed-point methods. Application of this new pressure gauge in an offline experiment revealed a remarkable agreement of the densities of coesite with those from the previous single crystal compression studies under hydrostatic conditions, thus providing strong validation for the current travel time pressure scale. The travel time approach not only can be used for continuous in-situ pressure determination at room temperature, high temperatures, during compression and decompression, but also bears a unique capability that none of the previous scales can deliver, i.e., simultaneous pressure and temperature determination with a high accuracy (±0.16 GPa in pressure and ±17 °C in temperature). Therefore, the new in-situ Al{sub 2}O{sub 3} pressure gauge is expected to enable new and expanded opportunities for offline laboratory studies of solid and liquid materials under high pressure and high temperature in multi-anvil apparatus.

36 MATERIALS SCIENCE↗
DOE OSTI2015

Sustenance of inhomogeneous electron temperature in a magnetized plasma column

This paper presents the equilibrium properties of a magnetized plasma column sustained by direct-current (dc) operated hollow cathode discharge in conjunction with a conducting end-plate, acting as the anode. The survey of radial plasma characteristics, performed in argon plasma, shows hotter plasma in the periphery as compared to the central plasma region; whereas the plasma density peaks at the center. The off-centered peak in radial temperature is attributed due to inhomogeneous power deposition in the discharge volume in conjunction with short-circuiting effect by the conducting end plate. A theoretical model based on particle flux and energy balance is given to explain the observed characteristics of the plasma column.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2016

Probing off-Hugoniot states in Ta, Cu, and Al to 1000 GPa compression with magnetically driven liner implosions

We report on a new technique for obtaining off-Hugoniot pressure vs. density data for solid metals compressed to extreme pressure by a magnetically driven liner implosion on the Z-machine (Z) at Sandia National Laboratories. In our experiments, the liner comprises inner and outer metal tubes. The inner tube is composed of a sample material (e.g., Ta and Cu) whose compressed state is to be inferred. The outer tube is composed of Al and serves as the current carrying cathode. Another aluminum liner at much larger radius serves as the anode. A shaped current pulse quasi-isentropically compresses the sample as it implodes. The iterative method used to infer pressure vs. density requires two velocity measurements. Photonic Doppler velocimetry probes measure the implosion velocity of the free (inner) surface of the sample material and the explosion velocity of the anode free (outer) surface. These two velocities are used in conjunction with magnetohydrodynamic simulation and mathematical optimization to obtain the current driving the liner implosion, and to infer pressure and density in the sample through maximum compression. This new equation of state calibration technique is illustrated using a simulated experiment with a Cu sample. Monte Carlo uncertainty quantification of synthetic data establishes convergence criteria for experiments. Results are presented from experiments with Al/Ta, Al/Cu, and Al liners. Symmetric liner implosion with quasi-isentropic compression to peak pressure ∼1000 GPa is achieved in all cases. These experiments exhibit unexpectedly softer behavior above 200 GPa, which we conjecture is related to differences in the actual and modeled properties of aluminum.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

High-pressure high-temperature phase diagram of gadolinium studied using a boron-doped heater anvil

A boron-doped designer heater anvil is used in conjunction with powder x-ray diffraction to collect structural information on a sample of quasi-hydrostatically loaded gadolinium metal up to pressures above 8 GPa and 600 K. The heater anvil consists of a natural diamond anvil that has been surface modified with a homoepitaxially grown chemical-vapor-deposited layer of conducting boron-doped diamond, and is used as a DC heating element. Internally insulating both diamond anvils with sapphire support seats allows for heating and cooling of the high-pressure area on the order of a few tens of seconds. This device is then used to scan the phase diagram of the sample by oscillating the temperature while continuously increasing the externally applied pressure and collecting in situ time-resolved powder diffraction images. In the pressure-temperature range covered in this experiment, the gadolinium sample is observed in its hcp, αSm, and dhcp phases. Under this temperature cycling, the hcp → αSm transition proceeds in discontinuous steps at points along the expected phase boundary. From these measurements (representing only one hour of synchrotron x-ray collection time), a single-experiment equation of state and phase diagram of each phase of gadolinium is presented for the range of 0–10 GPa and 300–650 K.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2016

Generalized quantum master equations in and out of equilibrium: When can one win?

Generalized quantum master equations (GQMEs) are an important tool in modeling chemical and physical processes. For a large number of problems, it has been shown that exact and approximate quantum dynamics methods can be made dramatically more efficient, and in the latter case more accurate, by proceeding via the GQME formalism. However, there are many situations where utilizing the GQME approach with an approximate method has been observed to return the same dynamics as using that method directly. Here, for systems both in and out of equilibrium, we provide a more detailed understanding of the conditions under which using an approximate method can yield benefits when combined with the GQME formalism. In particular, we demonstrate the necessary manipulations, which are satisfied by exact quantum dynamics, that are required to recast the memory kernel in a form that can be analytically shown to yield the same result as a direct application of the dynamics regardless of the approximation used. By considering the connections between these forms of the kernel, we derive the conditions that approximate methods must satisfy if they are to offer different results when used in conjunction with the GQME formalism. These analytical results thus provide new insights as to when proceeding via the GQME approach can be used to improve the accuracy of simulations.

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

Developments in time-resolved x-ray research at APS beamline 7ID

The 7ID beamline of the Advanced Photon Source (APS) is dedicated to time-resolved research using x-ray imaging, scattering, and spectroscopy techniques. Time resolution is achieved via gated detectors and/or mechanical choppers in conjunction with the time structure of the x-ray beam. Three experimental hutches allow for a wide variety of experimental setups. Major areas of research include atomic, molecular, and optical physics; chemistry; condensed matter physics in the bulk, thin film, and surface regimes; and fluid-spray dynamics. Recent developments in facilities at 7ID include a high-power, high-repetition-rate picosecond laser to complement the 1 kHz ultrafast laser. For the ultrafast laser, a newly commissioned optical parametric amplifier provides pump wavelength from 0.2 to 15 µm with energy per pulse up to 200 µJ. A nanodiffraction station has also been commissioned, using Fresnel zone-plate optics to achieve a focused x-ray spot of 300 nm. This nanoprobe is not only used to spatially resolve the evolution of small features in samples after optical excitation, but also has been combined with an intense THz source to study material response under ultrafast electric fields.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2016

Multicomponent density functional theory embedding formulation

Multicomponent density functional theory (DFT) methods have been developed to treat two types of particles, such as electrons and nuclei, quantum mechanically at the same level. In the nuclear-electronic orbital (NEO) approach, all electrons and select nuclei, typically key protons, are treated quantum mechanically. For multicomponent DFT methods developed within the NEO framework, electron-proton correlation functionals based on explicitly correlated wavefunctions have been designed and used in conjunction with well-established electronic exchange-correlation functionals. Herein a general theory for multicomponent embedded DFT is developed to enable the accurate treatment of larger systems. In the general theory, the total electronic density is separated into two subsystem densities, denoted as regular and special, and different electron-proton correlation functionals are used for these two electronic densities. In the specific implementation, the special electron density is defined in terms of spatially localized Kohn-Sham electronic orbitals, and electron-proton correlation is included only for the special electron density. The electron-proton correlation functional depends on only the special electron density and the proton density, whereas the electronic exchange-correlation functional depends on the total electronic density. This scheme includes the essential electron-proton correlation, which is a relatively local effect, as well as the electronic exchange-correlation for the entire system. This multicomponent DFT-in-DFT embedding theory is applied to the HCN and FHF{sup −} molecules in conjunction with two different electron-proton correlation functionals and three different electronic exchange-correlation functionals. The results illustrate that this approach provides qualitatively accurate nuclear densities in a computationally tractable manner. The general theory is also easily extended to other types of partitioning schemes for multicomponent systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2017

Frequency Domain Reflectometry NDE for Aging Cables in Nuclear Power Plants

Cable insulation polymers are among the more susceptible materials to age-related degradation within a nuclear power plant. This is recognized by both regulators and utilities, so all plants have developed cable aging management programs to detect damage before critical component failure in compliance with regulatory guidelines. Although a wide range of tools are available to evaluate cables and cable systems, cable aging management programs vary in how condition monitoring and nondestructive examinations are conducted as utilities search for the most reliable and cost-effective ways to assess cable system condition. Frequency domain reflectometry (FDR) is emerging as one valuable tool to locate and assess damaged portions of a cable system with minimal cost and only requires access in most cases to one of the cable terminal ends. Since laboratory studies to evaluate the use of FDR for inspection of aged cables can be expensive and data interpretation may be confounded by multiple factors which influence results, a model-based approach is desired to parametrically investigate the effect of insulation material damage in a controlled manner. This work describes development of a physics-based FDR model which uses finite element simulations of cable segments in conjunction with cascaded circuit element simulations to efficiently study a cable system. One or more segments of the cable system model have altered physical or electrical properties which represent the degree of damage and the location of the damage in the system. This circuit model is then subjected to a simulated FDR examination. The modeling approach is verified using several experimental cases and by comparing it to a commercial simulator suitable for simulation of some cable configurations. The model is used to examine a broad range of parameters including defect length, defect profile, degree of degradation, number and location of defects, FDR bandwidth, and addition of impedance-matched extensions to minimize the end-shadow effect.

Cable Inspection, Frequency Domain Reflectometry↗
DOE OSTI2018

A Simple and Portable Multi-Channel Pyrometer allowing temperature measurements down to 800 K on the microsecond scale

The measurement of transient temperatures less than 1000 K for samples in laser-heated diamond anvil cells remains a challenge. Here we present a design and performance characteristics for a multi-channel pyrometer that works in the NIR from 1200 to 2000 nm. It has a relatively small footprint, is portable, only requires low voltage power supplies and can report temperatures down to 800 K on the millisecond scale or faster. A single data point without averaging can be acquired in 14 microseconds (sampling rate of 70'000 times/s). In conjunction with a diamond anvil cell, the system still works down to about 830 K. The pyrometer has been interfaced several times with the laser heating system at the High Pressure Collaborative Access Team (HPCAT) at the Advanced Photon Source in Chicago with good results.

Montgomery, Jeffrey M.↗
DOE OSTI2019

Atlas of putative minima and low-lying energy networks of water clusters n = 3 - 25

We report a database consisting of the putative minima and ~3.2 million local minima lying within 5 kcal/mol from the putative minima for water clusters of sizes n = 3 – 25 using an improved version of the Monte Carlo Temperature Basin Paving (MCTBP) global optimization procedure in conjunction with the ab-initio based, flexible, polarizable Thole-Type Model (TTM2.1-F, version 2.1) interaction potential for water. Several of the low-lying structures, as well as lowlying penta-coordinated water networks obtained with the TTM2.1-F potential, were further refined at the Møller-Plesset second order perturbation MP2/aug-cc-pVTZ level of theory. In total, we have identified 3,138,303 networks corresponding to local minima of the clusters n = 3 – 25, whose Cartesian coordinates and relative energies can be obtained from the webpage https://sites.uw.edu/wdbase/. Networks containing penta-coordinated water molecules start to appear at n = 11 and, quite surprisingly, are energetically close (within 1 – 3 kcal/mol) to the putative minima, a fact that has been confirmed from the MP2 calculations. This large database of water cluster minima spanning quite dissimilar hydrogen bonding networks is expected to influence the development and assessment of the accuracy of interaction potentials for water as well as lower scaling electronic structure methods (such as different density functionals). Furthermore, it can also be used in conjunction with data science approaches (including but no limited to neural networks, machine and deep learning) to understand the properties of water, nature’s most important substance.

Rakshit, Avijit↗
DOE OSTI2020

The FIREBIRD-II CubeSat Mission (Focused Investigations of Relativistic Electron Burst Intensity, Range, and Dynamics)

FIREBIRD-II is a National Science Foundation funded CubeSat mission designed to study the scale size and energy spectrum of relativistic electron microbursts. The mission consists of two identical 1.5 U CubeSats in a low earth polar orbit, each with two solid state detectors that differ only in the size of their geometric factors and fields of view. Having two spacecraft in close orbit allows the scale size of microbursts to be investigated through the intra-spacecraft separation when microbursts are observed simultaneously on each unit. Each detector returns high cadence (10 s of ms) measurements of the electron population from 200 keV to >1 MeV across six energy channels. The energy channels were selected to fill a gap in the observations of the Heavy Ion Large Telescope instrument on the Solar, Anomalous, and Magnetospheric Particle Explorer. FIREBIRD-II has been in orbit for 5 years and continues to return high quality data. After the first month in orbit, the spacecraft had separated beyond the expected scale size of microbursts, so the focus has shifted toward conjunctions with other magnetospheric missions. FIREBIRD-II has addressed all of its primary science objectives, and its long lifetime and focus on conjunctions has enabled additional science beyond the scope of the original mission. This paper presents a brief history of the FIREBIRD mission’s science goals, followed by a description of the instrument and spacecraft. The data products are then discussed along with some caveats necessary for proper use of the data.

47 OTHER INSTRUMENTATION↗
DOE OSTI2018

Evaluation of regression and neural network models for solar forecasting over different short-term horizons

Forecasting solar irradiation has acquired immense importance in view of the exponential increase in the number of solar pho- tovoltaic (PV) system installations. In this article, analyses results involving statistical and machine-learning techniques to predict solar irradiation for di?erent forecasting horizons are reported. Yearlong typical meteorological year 3 (TMY3) datasets from three cities in the United States with di?erent climatic conditions have been used in this analysis. A simple forecast approach that assumes consecutive days to be identical serves as a baseline model to compare forecasting alternatives. To account for seasonal variability and to capture short-term ?uctuations, di?erent variants of the lagged moving average (LMX) model with cloud cover as the input variable are evaluated. Finally, the proposed LMX model is evaluated against an arti?cial neural network (ANN) model. How the one-hour and 24-hour models can be used in conjunction to predict di?erent short-term rolling horizons is discussed, and this joint application is illustrated for a four-hour rolling horizon forecast scheme. Finally, the e?ect of using predicted cloud cover values, instead of measured ones, on the accuracy of the models is assessed. Results show that LMX models do not degrade in forecast accuracy if models are trained with the forecast cloud cover data.

Inanlouganji, Alireza↗