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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 19 records

No evidence of a reduction in the dipole polarisability at shell closures

Photoabsorption reactions have a long and productive history as probes of the response of nuclei to electromagnetic fields. In recent years, there has been a suggestion that the dipole polarisability may be reduced at shell closures, potentially due to the reduced level density. In the current paper, more recent photoabsorption strengths are reanalysed including nuclei on closed proton shells to search for a similar reduction. The previously reported reduction is not reproduced. We conclude that the previously observed reduction may be due to incomplete evaluations of the photoabsorption due to missing cross section contributions and experimental artefacts. More experimental data are necessary to draw a firm conclusion about whether shell effects persist into high excitation energies, especially data which can obviate any systematic effects and look at relative photoabsorption strengths between nuclei.

Giant dipole response↗

Characterization of the microstructure of yttrium hydride under proton irradiation

High moderation per unit volume solid moderator materials like yttrium hydride (YH x ) are necessary for compact nuclear microreactors. However, the phase stability and hydrogen transport processes of YH x under high-temperature irradiation are largely unknown. Proton irradiation was conducted on YH x at 300 °C and 580 °C to 0.2 dpa using 1 MeV or 2 MeV protons in a high-vacuum environment. The hydrogen concentration was determined before and after irradiation using elastic recoil detection analysis, and microstructural evolution was examined via post-irradiation scanning transmission electron microscopy and Raman spectroscopy. Dislocation loops and cavities were observed in all conditions; their distribution was correlated with the bombarding proton energy and ion irradiation temperature. This work revealed that hydrogen retention is proportional to the formation of traps for hydrogen gas atoms and identified pathways for hydrogen release. The relative contributions of bulk or fast diffusion paths, such as grain boundaries, delamination boundaries, and stacking faults are discussed; the primary mechanisms of hydrogen loss are likely based on diffusion, ruling out artefacts of the experimental design. In conclusion, the study suggests proton irradiation may be a strong surrogate to study hydrogen transport in hydride moderator materials under irradiation.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Achromatic registration of quadrature components of the optical spectrum in spectral domain optical coherence tomography

We have thoroughly investigated the method of simultaneous reception of spectral components with the achromatised quadrature phase shift between two portions of a reference wave, designed for the effective suppression of the 'mirror' artefact in the resulting image obtained by means of spectral domain optical coherence tomography (SD OCT). We have developed and experimentally tested a phase-shifting element consisting of a beam divider, which splits the reference optical beam into the two beams, and of delay lines being individual for each beam, which create a mutual phase difference of π/2 in the double pass of the reference beam. The phase shift achromatism over a wide spectral range is achieved by using in the delay lines the individual elements with different dispersion characteristics. The ranges of admissible adjustment parameters of the achromatised delay line are estimated for exact and inexact conformity of the geometric characteristics of its components to those calculated. A possibility of simultaneous recording of the close-to-quadrature spectral components with a single linear photodetector element is experimentally confirmed. The suppression of the artefact mirror peak in the OCT-signal by an additional 9 dB relative to the level of its suppression is experimentally achieved when the air delay line is used. Two-dimensional images of the surface positioned at an angle to the axis of the probe beam are obtained with the correction of the 'mirror' artefact while maintaining the dynamic range of the image. (laser biophotonics)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

The Pixel Anomaly Detection Tool : a user-friendly GUI for classifying detector frames using machine-learning approaches

Data collection at X-ray free electron lasers has particular experimental challenges, such as continuous sample delivery or the use of novel ultrafast high-dynamic-range gain-switching X-ray detectors. This can result in a multitude of data artefacts, which can be detrimental to accurately determining structure-factor amplitudes for serial crystallography or single-particle imaging experiments. Here, a new data-classification tool is reported that offers a variety of machine-learning algorithms to sort data trained either on manual data sorting by the user or by profile fitting the intensity distribution on the detector based on the experiment. This is integrated into an easy-to-use graphical user interface, specifically designed to support the detectors, file formats and software available at most X-ray free electron laser facilities. The highly modular design makes the tool easily expandable to comply with other X-ray sources and detectors, and the supervised learning approach enables even the novice user to sort data containing unwanted artefacts or perform routine data-analysis tasks such as hit finding during an experiment, without needing to write code.

47 OTHER INSTRUMENTATION↗

Fictitious phase separation in Li layered oxides driven by electro-autocatalysis

Layered oxides widely used as lithium-ion battery electrodes are designed to be cycled under conditions that avoid phase transitions. Although the desired single-phase composition ranges are well established near equilibrium, operando diffraction studies on many-particle porous electrodes have suggested phase separation during delithiation. Notably, the separation is not always observed, and never during lithiation. These anomalies have been attributed to irreversible processes during the first delithiation or reversible concentration-dependent diffusion. However, these explanations are not consistent with all experimental observations such as rate and path dependencies and particle-by-particle lithium concentration changes. Here, we show that the apparent phase separation is a dynamical artefact occurring in a many-particle system driven by autocatalytic electrochemical reactions, that is, an interfacial exchange current that increases with the extent of delithiation. We experimentally validate this population-dynamics model using the single-phase material L ix (Ni 1/3 Mn 1/3 Co 1/3 )O 2 (0.5 < x < 1) and demonstrate generality with other transition-metal compositions. Operando diffraction and nanoscale oxidation-state mapping unambiguously prove that this fictitious phase separation is a repeatable non-equilibrium effect. We quantitatively confirm the theory with multiple-datastream-driven model extraction. More generally, our study experimentally demonstrates the control of ensemble stability by electro-autocatalysis, highlighting the importance of population dynamics in battery electrodes (even non-phase-separating ones).

36 MATERIALS SCIENCE↗

Metalloprotein catalysis: structural and mechanistic insights into oxidoreductases from neutron protein crystallography

Metalloproteins catalyze a range of reactions, with enhanced chemical functionality due to their metal cofactor. The reaction mechanisms of metalloproteins have been experimentally characterized by spectroscopy, macromolecular crystallography and cryo-electron microscopy. An important caveat in structural studies of metalloproteins remains the artefacts that can be introduced by radiation damage. Photoreduction, radiolysis and ionization deriving from the electromagnetic beam used to probe the structure complicate structural and mechanistic interpretation. Neutron protein diffraction remains the only structural probe that leaves protein samples devoid of radiation damage, even when data are collected at room temperature. Additionally, neutron protein crystallography provides information on the positions of light atoms such as hydrogen and deuterium, allowing the characterization of protonation states and hydrogen-bonding networks. Neutron protein crystallography has further been used in conjunction with experimental and computational techniques to gain insight into the structures and reaction mechanisms of several transition-state metal oxidoreductases with iron, copper and manganese cofactors. Here, the contribution of neutron protein crystallography towards elucidating the reaction mechanism of metalloproteins is reviewed.

59 BASIC BIOLOGICAL SCIENCES↗

Towards direct realisation of the SI unit of sound pressure in the audible hearing range based on optical free-field acoustic particle measurements

Since the introduction of the International System of Units (the SI system) in 1960, weights, measures, standardised approaches, procedures, and protocols have been introduced, adapted, and extensively used. A major international effort and activity concentrate on the definition and traceability of the seven base SI units in terms of fundamental constants, and consequently those units that are derived from the base units. In airborne acoustical metrology and for the audible range of frequencies up to 20 kHz, the SI unit of sound pressure, the pascal, is realised indirectly and without any knowledge or measurement of the sound field. Though the principle of reciprocity was originally formulated by Lord Rayleigh nearly two centuries ago, it was devised in the 1940s and eventually became a calibration standard in the 1960s; however, it can only accommodate a limited number of acoustic sensors of specific types and dimensions. International standards determine the device sensitivity either through coupler or through free-field reciprocity but rely on the continuous availability of specific acoustical artefacts. Here, we show an optical method based on gated photon correlation spectroscopy that can measure sound pressures directly and absolutely in fully anechoic conditions, remotely, and without disturbing the propagating sound field. It neither relies on the availability or performance of any measurement artefact nor makes any assumptions of the device geometry and sound field characteristics. Most importantly, the required units of sound pressure and microphone sensitivity may now be experimentally realised, thus providing direct traceability to SI base units.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Boron concentration profiling by high angle annular dark field-scanning transmission electron microscopy in homoepitaxial δ-doped diamond layers

To develop further diamond related devices, the concentration and spatial location of dopants should be controlled down to the nanometer scale. Scanning transmission electron microscopy using the high angle annular dark field mode is shown to be sensitive to boron doping in diamond epilayers. An analytical procedure is described, whereby local boron concentrations above 10{sup 20} cm{sup −3} were quantitatively derived down to nanometer resolution from the signal dependence on thickness and boron content. Experimental boron local doping profiles measured on diamond p{sup −}/p{sup ++}/p{sup −} multilayers are compared to macroscopic profiles obtained by secondary ion mass spectrometry, avoiding reported artefacts.

36 MATERIALS SCIENCE↗

Luminescence and radiation resistance of undoped NaI crystals

Highlights: • The performance of NaI scintillators depends on luminescence properties. • A criterion of crystals’ purity level is radiation colorability at room temperature. • The traces of the most dangerous impurities were detected. • Crucial role in efficiency of pure NaI scintillator play the crystal perfection. - Abstract: Undoped NaI single crystal is an excellent scintillator at low temperature. However, scintillation parameters of different quality crystals vary in a wide range, significantly exceeding measurement error. Experimental data demonstrate the features of luminescence, radiation induced coloration, and afterglow dependence on the quality of nominally pure crystals. It is found that defects level that allows to elucidate artefacts introduced by traces of harmful impurities corresponds to 3 × 10{sup 15} cm{sup −3} that significantly overhead accuracy of chemical and absorption analysis. It is shown that special raw material treatment before and during the single crystal growth allows to reach NaI purity level that avoids impurities influence to the basic luminescence data.

36 MATERIALS SCIENCE↗

Evaluation of Oxygen Consumption as a Sensitive Measure of Electrical Cable Polymer Insulation Degradation

Polymers used as dielectric materials in nuclear grade electrical cables, such as cross-linked polyethylene (XLPE) and ethylene-propylene rubber (EPR), are long-lived and durable. Estimating the decades-long useful service life of polymers experimentally in a feasible timeframe of weeks or months requires greatly accelerated aging in the laboratory at elevated temperatures and/or gamma dose rates. Many limitations of accelerated aging, such as due to artefacts of the process including diffusion limited oxidation and dose rate effects, have been identified that can make accurate lifetime prediction at service conditions challenging. This can be due to differences in degradation mechanisms between rapid and extended aging or to the presence of induction periods during which early aging is undetectable using common metrics of polymer insulation characterization such as tensile elongation at break. Conceptually, an ideal measure of aging would track clearly and predictably with material changes throughout the lifecycle of the evolving material state from early aging through end of useful life. With such a metric accelerated aging could be performed at much milder conditions, conditions closer to those found in long term service, and end of life calculated from the early data. Oxygen consumption has previously been proposed as a sensitive measure of insulation polymer oxidation that might meet such desirable characteristics. In this work, nuclear cable insulation samples of the two most common types, XLPE and EPR, from two of the most sourced manufacturers, RSCC and The Okonite Company, were subjected to gamma irradiation at dose rates of 100, 200, and 300 Gy/hr for up to 42 days at 26°C. The aged samples were used to evaluate oxygen consumption as a sensitive measure of aging for these materials and these conditions. For comparison and validation, the aged samples were also characterized using the more conventional tests of mass change, density, carbonyl index, and yellowness index. For both materials, oxygen consumption during irradiation was found to track consistently with applied dose—oxygen consumption rate was linear with time. Mass change and carbonyl index were also clearly proportional to exposure dose. Yellowness index, a surface sensitive measure, was observed to increase linearly with dose at low exposure levels before plateauing. Sample density was not observed to change under the conditions explored. Oxygen consumption was found to be a particularly sensitive metric to measure the degradation of polymeric cable insulation exposed to radiation. Oxygen consumption was compared to Arrhenius and time-temperature-superposition methods for activation energy calculation using literature date and found to be a useful and viable alternative for lifetime prediction. The techniques developed in this work are anticipated to be valuable in the estimation of insulation aging rates under mild conditions approaching service conditions. Direction comparison of useful life prediction by oxygen consumption with prediction via Arrhenius methodology for thermal aging and existing methods for radiation and combined thermal/radiation aging would serve to further validate this promising approach and refine our understanding of material-specific aging rates.

36 MATERIALS SCIENCE↗

An applied light-beam induced current study of dye-sensitised solar cells: Photocurrent uniformity mapping and true photoactive area evaluation

The conditions for light-beam induced current (LBIC) measurement were experimentally optimised for dye-sensitised solar cells. The impacts of too fast a laser diode modulation frequency (f) and too short a dwell time (t{sub 0}) were investigated for their distortions, artefacts, and noise on the overall photocurrent map image. Optimised mapping conditions for fastest measurement were obtained at a f = 15 Hz and t{sub 0} = 900 ms. Whole device maps (nominal area 4 × 4 mm{sup 2}) were obtained on devices in which fabrication defects were intentionally induced. The defects were readily resolved with the LBIC setup and conditions. The inclusion of defects had the effect of broadening the photocurrent distribution and producing a sub-optimal tail to photocurrent histograms. Photoactive areas were derived from LBIC maps and were larger than those predicted by the projected screen printing pattern by up to 25%, which has obvious implications for efficiency measurements made on nominal projected active area.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Versatile module for experiments with focussing neutron guides

We report the development of a versatile module that permits fast and reliable use of focussing neutron guides under varying scattering angles. A simple procedure for setting up the module and neutron guides is illustrated by typical intensity patterns to highlight operational aspects as well as typical parasitic artefacts. Combining a high-precision alignment table with separate housings for the neutron guides on kinematic mounts, the change-over between neutron guides with different focussing characteristics requires no readjustments of the experimental setup. Exploiting substantial gain factors, we demonstrate the performance of this versatile neutron scattering module in a study of the effects of uniaxial stress on the domain populations in the transverse spin density wave phase of single crystal Cr.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Influence of low concentrations of scatterers and signal detection time on the results of their measurements using dynamic light scattering

The influence of limited detection time on the form of the autocorrelation function (ACF) has been analysed for measurements in low-concentration suspensions by dynamic light scattering with allowance for the spatial distribution of the laser beam intensity. The general view of the ACF of the scattered light intensity is obtained for a Gaussian beam and a finite measurement time. The results of the theoretical analysis are compared with the experimental data and the results obtained by computer simulation of the scattering from an ensemble of particles involved in Brownian motion in a Gaussian beam. It is shown that, in the case of low suspension concentrations, the ACF distortions related to finite detection time lead to underestimation of the particle sizes and occurrence of an artefact peak in the distribution of the scattered light intensity over scatterer sizes. An empirical dependence of the measured size of particles on their number in the scattering volume is found. (light scattering)

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Validation of the BISON 3D Fuel Performance Code: Temperature Comparisons for Concentrically and Eccentrically Located Fuel Pellets

BISON is a modern finite-element based nuclear fuel performance code that has been under development at the Idaho National Laboratory (USA) since 2009. The code is applicable to both steady and transient fuel behaviour and is used to analyse either 2D axisymmetric or 3D geometries. BISON has been applied to a variety of fuel forms including LWR fuel rods, TRISO-coated fuel particles, and metallic fuel in both rod and plate geometries. Code validation is currently in progress, principally by comparison to instrumented LWR fuel rods. Halden IFA experiments constitute a large percentage of the current BISON validation base. The validation emphasis here is centreline temperatures at the beginning of fuel life, with comparisons made to seven rods from the IFA-431 and 432 assemblies. The principal focus is IFA-431 Rod 4, which included concentric and eccentrically located fuel pellets. This experiment provides an opportunity to explore 3D thermomechanical behaviour and assess the 3D simulation capabilities of BISON. Analysis results agree with experimental results showing lower fuel centreline temperatures for eccentric fuel with the peak temperature shifted from the centreline. The comparison confirms with modern 3D analysis tools that the measured temperature difference between concentric and eccentric pellets is not an artefact and provides a quantitative explanation for the difference.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Maximum a posteriori estimation of crystallographic phases in X-ray diffraction tomography

A maximum a posteriori approach is proposed for X-ray diffraction tomography for reconstructing three-dimensional spatial distribution of crystallographic phases and orientations of polycrystalline materials. The approach maximizes the a posteriori density which includes a Poisson log-likelihood and an a priori term that reinforces expected solution properties such as smoothness or local continuity. The reconstruction method is validated with experimental data acquired from a section of the spinous process of a porcine vertebra collected at the 1-ID-C beamline of the Advanced Photon Source, at Argonne National Laboratory. The reconstruction results show significant improvement in the reduction of aliasing and streaking artefacts, and improved robustness to noise and undersampling compared to conventional analytical inversion approaches. The approach has the potential to reduce data acquisition times, and significantly improve beamtime efficiency.

Biomineralization↗

Application of lateral photovoltage towards contactless light beam induced current measurements and its dependence on the finite beam size

The nature of the signal due to light beam induced current (LBIC) at the remote contacts is verified as a lateral photovoltage for non-uniformly illuminated planar p-n junction devices; simulation and experimental results are presented. The limitations imposed by the ohmic contacts are successfully overcome by the introduction of capacitively coupled remote contacts, which yield similar results without any significant loss in the estimated material and device parameters. It is observed that the LBIC measurements introduce artefacts such as shift in peak position with increasing laser power. Simulation of LBIC signal as a function of characteristic length L{sub c} of photo-generated carriers and for different beam diameters has resulted in the observed peak shifts, thus attributed to the finite size of the beam. Further, the idea of capacitively coupled contacts has been extended to contactless measurements using pressure contacts with an oxidized aluminium electrodes. This technique avoids the contagious sample processing steps, which may introduce unintentional defects and contaminants into the material and devices under observation. Thus, we present here, the remote contact LBIC as a practically non-destructive tool in the evaluation of device parameters and welcome its use during fabrication steps.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Warming Experiments Underpredict Plant Phenological Responses to Climate Change

Warming experiments are increasingly relied on to estimate plant responses to global climate change. For experiments to provide meaningful predictions of future responses, they should reflect the empirical record of responses to temperature variability and recent warming, including advances in the timing of flowering and leafing. We compared phenology (the timing of recurring life history events) in observational studies and warming experiments spanning four continents and 1,634 plant species using a common measure of temperature sensitivity (change in days per degree Celsius). We show that warming experiments underpredict advances in the timing of flowering and leafing by 8.5-fold and 4.0-fold, respectively, compared with long-term observations. For species that were common to both study types, the experimental results did not match the observational data in sign or magnitude. The observational data also showed that species that flower earliest in the spring have the highest temperature sensitivities, but this trend was not reflected in the experimental data. These significant mismatches seem to be unrelated to the study length or to the degree of manipulated warming in experiments. The discrepancy between experiments and observations, however, could arise from complex interactions among multiple drivers in the observational data, or it could arise from remediable artefacts in the experiments that result in lower irradiance and drier soils, thus dampening the phenological responses to manipulated warming. Our results introduce uncertainty into ecosystem models that are informed solely by experiments and suggest that responses to climate change that are predicted using such models should be re-evaluated.

phenology↗

High-resolution helical cone-beam micro-CT with theoretically-exact reconstruction from experimental data

Purpose: In this paper we show that optimization-based autofocus may be used to overcome the instabilities that have, until now, made high-resolution theoretically-exact tomographic reconstruction impractical. To our knowledge, this represents the first successful use of theoretically-exact reconstruction in helical micro computed tomography (micro-CT) imaging. We show that autofocus-corrected, theoretically-exact helical CT is a viable option for high-resolution micro-CT imaging at high cone-angles ({approx}50 deg.). The elevated cone-angle enables better utilization of the available X-ray flux and therefore shorter image acquisition time than conventional micro-CT systems. Methods: By using the theoretically-exact Katsevich 1PI inversion formula, we are not restricted to a low-cone-angle regime; we can in theory obtain artefact-free reconstructions from projection data acquired at arbitrary high cone-angles. However, this reconstruction method is sensitive to misalignments in the tomographic data, which result in geometric distortion and streaking artefacts. We use a parametric model to quantify the deviation between the actual acquisition trajectory and an ideal helix, and use an autofocus method to estimate the relevant parameters. We define optimal units for each parameter, and use these to ensure consistent alignment accuracy across different cone-angles and different magnification factors. The tomographic image is obtained from a set of virtual projections in which software correction for hardware misalignment has been applied. Results: We make significant modifications to the autofocus method that allow this method to be used in helical micro-CT reconstruction, and show that these developments enable theoretically-exact reconstruction from experimental data using the Katsevich 1PI (K1PI) inversion formula. We further demonstrate how autofocus-corrected, theoretically-exact helical CT reduces the image acquisition time by an order of magnitude compared to conventional circular scan micro-CT. Conclusions: Autofocus-corrected, theoretically-exact cone-beam reconstruction is a viable option for reducing acquisition time in high-resolution micro-CT imaging. It also opens up the possibility of efficiently imaging long objects.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗