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At least 505 records · Page 28

Technique for Performing Dielectric Property Measurements at Microwave Frequencies

A paper discusses the need to perform accurate dielectric property measurements on larger sized samples, particularly liquids at microwave frequencies. These types of measurements cannot be obtained using conventional cavity perturbation methods, particularly for liquids or powdered or granulated solids that require a surrounding container. To solve this problem, a model has been developed for the resonant frequency and quality factor of a cylindrical microwave cavity containing concentric cylindrical samples. This model can then be inverted to obtain the real and imaginary dielectric constants of the material of interest. This approach is based on using exact solutions to Maxwell s equations for the resonant properties of a cylindrical microwave cavity and also using the effective electrical conductivity of the cavity walls that is estimated from the measured empty cavity quality factor. This new approach calculates the complex resonant frequency and associated electromagnetic fields for a cylindrical microwave cavity with lossy walls that is loaded with concentric, axially aligned, lossy dielectric cylindrical samples. In this approach, the calculated complex resonant frequency, consisting of real and imaginary parts, is related to the experimentally measured quantities. Because this approach uses Maxwell's equations to determine the perturbed electromagnetic fields in the cavity with the material(s) inserted, one can calculate the expected wall losses using the fields for the loaded cavity rather than just depending on the value of the fields obtained from the empty cavity quality factor. These additional calculations provide a more accurate determination of the complex dielectric constant of the material being studied. The improved approach will be particularly important when working with larger samples or samples with larger dielectric constants that will further perturb the cavity electromagnetic fields. Also, this approach enables the ability to have a larger sample of interest, such as a liquid or powdered or granulated solid, inside a cylindrical container.

Barmatz, Martin B.↗

Classical Simulation of Boson Sampling Based on Graph Structure

Boson sampling is a fundamentally and practically important task that can be used to demonstrate quantum supremacy using noisy intermediate-scale quantum devices. In this Letter, we present classical sampling algorithms for single-photon and Gaussian input states that take advantage of a graph structure of a linear-optical circuit. The algorithms’ complexity grows as so-called treewidth, which is closely related to the connectivity of a given linear-optical circuit. Using the algorithms, we study approximated simulations for local Haar-random linear-optical circuits. For equally spaced initial sources, we show that, when the circuit depth is less than the quadratic in the lattice spacing, the efficient simulation is possible with an exponentially small error. Notably, right after this depth, photons start to interfere each other and the algorithms’ complexity becomes subexponential in the number of sources, implying that there is a sharp transition of its complexity. Finally, when a circuit is sufficiently deep enough for photons to typically propagate to all modes, the complexity becomes exponential as generic sampling algorithms. We numerically implement a likelihood test with a recent Gaussian boson sampling experiment and show that the treewidth-based algorithm with a limited treewidth renders a larger likelihood than the experimental data.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

SOCCER: Comet Coma Sample Return Mission

Comets, being considered the most primitive bodies in the solar system, command the highest priority among solar system objects for studying solar nebula evolution and the evolution of life through biogenic elements and compounds. Sample Of Comet Coma Earth Return (SOCCER), a joint effort between NASA and the Institute of Space and Astronautical Science (ISAS) in Japan, has two primary science objectives: (1) the imaging of the comet nucleus and (2) the return to Earth of samples of volatile species and intact dust. This effort makes use of the unique strengths and capabilities of both countries in realizing this important quest for the return of samples from a comet. This paper presents an overview of SOCCER's science payloads, engineering flight system, and its mission operations.

Albee, A. L.↗

Analysis of particulates of comet nucleus samples: Possible use of olivine as indicator phase

The electron microprobe is a proven instrument for particulate analysis and modifications are possible for in situ analysis of particulates in ice at temperatures near that of liquid nitrogen. Present sample requirements allow for polished samples with 0.25 x 0.25 dimensions to be maintained in the sample chamber of a modern electron probe (CAMECA SX-50) at a temperature of -150 C; larger samples are possible but at higher temperatures as determined by thermal conductivity. The major problem is transport and insertion of samples into the instrument through vacuum interlocks. The manufacturer of the above microprobe has designed an exchange mechanism to allow storage and transport of samples previously prepared for their sample holder which attaches to their instrument allowing extraction and insertion of samples while maintaining -150 C temperature. An important test will be the capability of preparing polished surfaces of an ice-particulate sample without loss of particles and at low temperatures. While thin sections of water ice are routine, these are not examined for particulate material and are prepared at temperatures easily obtained in room-size volumes. Anticipated problems include rounding of small grains in the relatively soft ice matrix and the technical problem of dry polishing.

Steele, I. M.↗

Vegetation and location of water inflow affect evaporation in a subtropical wetland as indicated by the deuterium excess method: Evaporation Effects Indicated by Deuterium Excess Method

Evaporation represents a principal form of water loss from water bodies, but quantifying evaporation with transpiring vegetation is challenging, owing to the difficulties in disentangling evaporation from transpiration. As the two processes have different effects on water isotope signatures (i.e., oxygen and hydrogen stable isotope ratios expressed by δ 18 O and δ 2 H), we used both the δ 18 O and δ 2 H values of water samples to calculate their deuterium excess (d) values, which are proportionate to fraction of evaporation loss (E f ) of water being sampled. Comparing with a single isotope method, the d method holds the advantage that it does not require knowledge of the initial isotope ratios of source water. Limitations of the d method, for example, effects of prior-evaporation of water before entering water bodies, can be checked and corrected. The sampling locations throughout our study site differed in vegetation coverage, water depth, and distance to water inflow (or discharge gate of water inflow), which are three important factors in water management. This sampling design offered us a unique opportunity to quantify the influences of the above three factors on E f . We found the following: (1) There was a spatiotemporal pattern in δ 18 O distribution. (2) The E f was negatively related to the vegetation coverage, positively related to distance to the water source inflow but nonsignificantly related to water depth. Therefore, vegetation and distance to the water inflow are two important considerations for the control of evaporative water loss, and evaporation calculated by the d method can lead to more informed water management.

54 ENVIRONMENTAL SCIENCES↗

Generative adversarial networks for scintillation signal simulation in EXO-200

Generative Adversarial Networks trained on samples of simulated or actual events have been proposed as a way of generating large simulated datasets at a reduced computational cost. In this work, a novel approach to perform the simulation of photodetector signals from the time projection chamber of the EXO-200 experiment is demonstrated. The method is based on a Wasserstein Generative Adversarial Network — a deep learning technique allowing for implicit non-parametric estimation of the population distribution for a given set of objects. Our network is trained on real calibration data using raw scintillation waveforms as input. We find that it is able to produce high-quality simulated waveforms an order of magnitude faster than the traditional simulation approach and, importantly, generalize from the training sample and discern salient high-level features of the data. In particular, the network correctly deduces position dependency of scintillation light response in the detector and correctly recognizes dead photodetector channels. Furthermore, the network output is then integrated into the EXO-200 analysis framework to show that the standard EXO-200 reconstruction routine processes the simulated waveforms to produce energy distributions comparable to that of real waveforms. Finally, the remaining discrepancies and potential ways to improve the approach further are highlighted.

47 OTHER INSTRUMENTATION↗

Microchip Non-Aqueous Capillary Electrophoresis (MicronNACE) Method to Analyze Long-Chain Primary Amines

A protocol was developed as a first step in analyzing the complex organic aerosols present on Saturn's moon Titan, as well as the analogues of these aerosols (tholins) made on Earth. Labeling of primary amines using Pacific Blue succinimidyl ester is effected in ethanol with 25 mM triethylamine to maintain basic conditions. This reaction is allowed to equilibrate for at least one hour. Separation of the labeled primary amines is performed in ethanol with 1.05 M acetic acid, and 50 mM ammonium acetate in a commercial two-layer glass device with a standard crossmicrochannel measuring 50 microns wide by 20 microns deep. Injection potentials are optimized at 2 kV from the sample (negative) to the waste well (positive), with slight bias applied to the other two wells ( 0.4 and 0.8 V) to pinch the injection plug for the 30-s injection. Separation is performed at a potential of 5 kV along the channel, which has an effective separation distance of 7 cm. The use of ethanol in this method means that long-chain primary amines can be dissolved. Due to the low pH of the separation buffer, electro-osmotic flow (EOF) is minimized to allow for separation of both short-chain and longchain amines. As the freezing point of ethanol is much lower than water, this protocol can perform separations at temperatures lower than 0 C, which would not be possible in aqueous phase. This is of particular importance when considering in situ sampling of Titan aerosols, where unnecessary heating of the sample (even to room temperature) would lead to decomposition or unpredictable side reactions, which would make it difficult to characterize the sample appropriately.

Willis, Peter A.↗

Use of an Internal Mercury-Argon Lamp for the Calibration of Raman Frequency in Large Raman Images of Astromaterials

Raman imaging is an emerging tool for the analysis of meteorites, as it is capable of describing mineralogy, carbon composition/speciation, and crystal orientation all within a petrographic context. Adequately examining the heterogeneous composition of a meteorite, while maintaining low laser powers needed to prevent damage to meteorite mineralogy and organics, often requires the collection of large Raman images with long collection times on the timescale of days. However, the frequency calibration of the Raman instrument/spectrometer drifts on long timescales resulting in low frequency precision for the Raman spectra comprising a large Raman image. This decrease in frequency precision can compromise the analysis of geological markers that can provide important information on a meteorite sample. We examine, in detail, the change in bandwidth and frequency of the Raman bands and Hg-Ar emission lines in our Raman images as a function of time and laboratory temperature. To overcome the drift in calibration, we utilize a commercial WITec Raman instrument with an internal Hg-Ar calibration lamp to individually calibrate each spectrum in the Raman image. Our instrument, known as “Ratatoskr”, uses a beam splitter in place of the customary mirror to facilitate collection of Hg-Ar calibration lines concurrent with Raman spectra. We show that using the internal calibration we can improve the frequency precision for the spectra in our Raman images from ~±0.15 cm(exp -1) to ~±0.05 cm(exp -1) for Raman spectra collected over multiple days. This is important as it improves measurements of mineral chemistry, latent strain, and other features that are dependent upon accurate peak position determination. We also examine the spectral signal-to-noise ratio needed to minimize the frequency error when fitting bands to Gaussian/Lorentzian profiles. We then use our results to suggest a general method for calibrating the frequency of Raman spectra in large Raman images.

Jakubek, Ryan S.↗

Compositional implications regarding the lunar origin of the ALHA 81005 meteorite

Geochemically, ALHA 81005 has all the attributes expected of a regolith sample from the lunar highlands. Most important is its Fe/Mn ratio (77), within an uncertainty the same as the mean lunar ratio. There are significant differences, however, in comparison to previously sampled lunar regoliths. The closest precedents are the Apollo-16 and Luna-20 regoliths, particularly the latter, but ALHA 81005 has lower contents of Na, Ti, and incompatible elements. Feldspathic granulitic breccias such as 72559, which texturally resemble the most abundant type of clast in ALHA 81005, are also similar compositionally. From its low KREEP and Na contents ALHA 81005 is inferred to have originated well away from the K, Th, and U-rich region near the center of the nearside, at least as far away as the eastern limb.

Kallemeyn, G. W.↗

Attempts to comprehend Martian surface processes through interpretation of the oxygen isotopic compositions of carbonates in SNC meteorites

The SNC meteorites are known to contain trace quantities of a variety of secondary minerals such as carbonates, sulfates, and aluminosilicates. Since these constituents are thought to be mostly preterrestrial in origin, their study has the potential to provide rigorous constraints on the nature of martian weathering processes. However, this line of investigation is potentially complicated by the presence within the meteorite samples of any additional weathering products produced by terrestrial processes. Examination of such terrestrial components is important since weathering processes that affect meteorite samples following their fall to Earth might have some bearing on the nature of analogous processes at the surface of Mars. It is obviously necessary to try and distinguish which secondary components in SNC meteorites are terrestrial in origin from those that are preterrestrial. Herein consideration is made of the stable isotopic compositions of weathering products in two SNC meteorites: EET A79001 (a sample collected from Antarctica) and Nakhla (a fall from Egypt, 1911).

Wright, I. P.↗

Auto-Gopher-II – An Autonomous Wireline Rotary-Hammer Ultrasonic Drill

Developing technologies that would enable future NASA exploration missions to penetrate deeper into the subsurface of planetary bodies for sample collection is of great importance. Performing these tasks while using minimal mass/volume systems and with low energy consumption is another set of requirements imposed on such technologies. A deep drill, called Auto-Gopher II, is currently being developed as a joint effort between JPL’s NDEAA laboratory and Honeybee Robotics Corp. The Auto-Gopher II is a wireline rotary-hammer drill that combines formation breaking by hammering using an ultrasonic actuator and cuttings removal by rotating a fluted auger bit. The hammering mechanism is based on the Ultrasonic/Sonic Drill/Corer (USDC) mechanism that has been developed as an adaptable tool for many drilling and coring applications. The USDC uses an intermediate free-flying mass to transform high frequency vibrations of a piezoelectric transducer horn tip into sonic hammering of the drill bit. The USDC concept was used in a previous task to develop an Ultrasonic/Sonic Ice Gopher and then integrated into a rotary hammer device to develop the Auto-Gopher-I. The lessons learned from these developments are being integrated into the development of the Auto-Gopher-II, an autonomous deep wireline drill with integrated cuttings and sample management and drive electronics. Subsystems of the wireline drill are being developed in parallel at JPL and Honeybee Robotics Ltd. This paper presents the development efforts of the piezoelectric actuator, cuttings removal and retention flutes and drive electronics.

Badescu, Mircea↗

Innovative Extension of the EDF Inventory Methodology for Irradiated Graphite Sleeves - 16084

About 17,000 t of EDF irradiated graphite wastes will be produced from the decommissioning of the six French gas-cooled nuclear reactors. Determining the radionuclide content of this graphite is of capital importance for safety purposes and in order to determine the best way to manage them. A method using an identification calculation-measurement process has been proposed in order to assess a radiological inventory as precise as possible and has been validated by ANDRA, the French governmental radioactive waste management agency and by IRSN, the technical support of the French nuclear safety authority. As presented at WM2013, this method is based on (a) radionuclide measurements from sufficient samples from a statistical point of view and (b) activation coefficients calculated from the neutron flux histories of the measured samples. For that purpose, it is important to know the precise location of each measured graphite sample, which is easy with pile sampling. About 2,000 t of EDF irradiated graphite is composed of sleeves which contained fuel cartridges and they have been stored in silos of St-Laurent site. The general method needs to know the precise history including neutron flux of any sampled sleeve. As there is no possibility to individually identify sleeves, such a requirement on sleeves in a silo is impossible. The paper presents both the general method for piles and an innovative way to replace that knowledge for long lived radionuclide of irradiated sleeves. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Intercomparison of Desert Dust Optical Depth from Satellite Measurements

This work provides a comparison of satellite retrievals of Saharan desert dust aerosol optical depth (AOD) during a strong dust event through March 2006. In this event, a large dust plume was transported over desert, vegetated, and ocean surfaces. The aim is to identify the differences between current datasets. The satellite instruments considered are AATSR, AIRS, MERIS, MISR, MODIS, OMI, POLDER, and SEVIRI. An interesting aspect is that the different algorithms make use of different instrument characteristics to obtain retrievals over bright surfaces. These include multi-angle approaches (MISR, AATSR), polarisation measurements (POLDER), single-view approaches using solar wavelengths (OMI, MODIS), and the thermal infrared spectral region (SEVIRI, AIRS). Differences between instruments, together with the comparison of different retrieval algorithms applied to measurements from the same instrument, provide a unique insight into the performance and characteristics of the various techniques employed. As well as the intercomparison between different satellite products, the AODs have also been compared to co-located AERONET data. Despite the fact that the agreement between satellite and AERONET AODs is reasonably good for all of the datasets, there are significant differences between them when compared to each other, especially over land. These differences are partially due to differences in the algorithms, such as assumptions about aerosol model and surface properties. However, in this comparison of spatially and temporally averaged data, it is important to note that differences in sampling, related to the actual footprint of each instrument on the heterogeneous aerosol field, cloud identification and the quality control flags of each dataset can be an important issue.

desert dust↗

Identification of New Lithic Clasts in Lunar Breccia 14305 by Micro-CT and Micro-XRF Analysis

From 1969 to 1972, Apollo astronauts collected 382 kg of rocks, soils, and core samples from six locations on the surface of the Moon. The samples were initially characterized, largely by binocular examination, in a custom-built facility at Johnson Space Center (JSC), and the samples have been curated at JSC ever since. Despite over 40 years of study, demand for samples remains high (~500 subsamples per year are allocated to scientists around the world), particularly for plutonic (e.g., anorthosites, norites, etc.) and evolved (e.g., granites, KREEP basalts) lithologies. The reason for the prolonged interest is that as new scientists and new techniques examine the samples, our understanding of how the Moon, Earth, and other inner Solar System bodies formed and evolved continues to grow. Scientists continually clamor for new samples to test their emerging hypotheses. Although all of the large Apollo samples that are igneous rocks have been classified, many Apollo samples are complex polymict breccias that have previously yielded large (cm-sized) igneous clasts. In this work we present the initial efforts to use the non-destructive techniques of micro-computed tomography (micro-CT) and micro x-ray fluorescence (micro-XRF) to identify large lithic clasts in Apollo 14 polymict breccia sample 14305. The sample in this study is 14305,483, a 150 g slab of regolith breccia 14305 measuring 10x6x2 cm (Figure 1a). The sample was scanned at the University of Texas High-Resolution X-ray CT Facility on an Xradia MicroXCT scanner. Two adjacent overlapping volumes were acquired at 49.2 micrometer resolution and stitched together, resulting in 1766 slices. Each volume was acquired at 100 kV accelerating voltage and 98 mA beam current with a 1 mm CaF2 filter, with 2161 views gathered over 360deg at 3 seconds acquisition time per view. Micro-XRF analyses were done at Washington University in St. Louis, Missouri on an EDAX Orbis PC micro-XRF instrument. Multiple scans were made at 40 kV accelerating voltage, 800 mA beam current, 30 μm beam diameter, and a beam spacing of 30-120 micrometer. The micro-CT scan of 14305,483 (Figure 2) was able to identify several large lithic clasts (approx. 1 cm) within the interior of the slab. These clasts will be exposed by band-sawing or chipping of the slab, and their composition more fully characterized by subsequent micro-XRF analysis. In addition to lithic clasts, the micro-CT scans identified numerous mineral clasts, including many FeNi metal grains, as well as the prominent fractures within the slab. The micro-XRF analyses (Figure 1b,c) of the slab surfaces revealed the bulk chemical compositions (qualitative) of the different clast types observed. In particular, by looking at the ratios of major elements (e.g. Ca:Mg:Fe), differences among the many observed clast types are readily observed. Moreover, several clasts not apparent to the naked eye were revealed in the K:Al:Si ratio map. The scans are also able to identify small grains of Zr- and P-rich minerals (not shown), which could in turn yield important age dates for the samples.

Zeigler, Ryan A.↗

Modeling Mesoscale Processes of Scalable Synthesis Final Scientific/Technical Report

This is the final scientific and technical report for this award. Molecular dynamics (MD) is a powerful tool to study biomolecules at the nanoscale. One of its main limitations however is that such simulations typically require a timestep of 1 femtosecond while reactions and conformational changes typically happen on the time scale of 1 microsecond or more. This discrepancy severely restricts the impact of this method. We have developed a series of algorithms to mitigate this problem and allow predicting long-time scale events using much shorter simulations. The method is based on the concurrent adaptive sampling method. It consists in using probabilistic weights for trajectories and biasing the sampling such that rare but important trajectories, e.g., those that go over energy barriers and lead to relevant conformational changes in the molecule, are observed with much higher frequency that in a standard MD simulation. We will demonstrate below that this approach has been very successful. In collaboration with Jay Grate at PNNL we have applied this novel method to the study the triazine polymers, which can be con gured using different types of side chains in order to adopt different 3-dimensional structures. We have found novel stable con- formations and have analyzed the impact of side chain modifcations on the native folded shape of the polymer. Direct MD simulations would have been untractable for this problem. The method of replica exchange was also used successfully to calculate free energy profiles, in particular for cis-trans torsional angle changes with high energy barriers. Studying molecules at the atomistic scale is essential to design new molecules in chemical engineering, such as the triazine polymers developed by Grate, in material science to study the strength of metals for examples (e.g., dislocation dynamics), or in biochemistry to understand how proteins fold and how they interact with ligands (a key step in designing drugs). Although new hardware makes these simulations increasingly faster (e.g., GPU, Anton from DE Shaw Research), new algorithms are key to making these methods more tractable and increase their impact. At this point, because of limitations in modeling, one of the main techniques for advancing science remains to a large extent numerous and costly experiments. For exam- ple, when designing drug, where multiple variants must be screened, the ability to run tests on a computer rather than experimentally testing with high throughput methods thousands of compounds would represent a signi cant advance with broad benefits for the public at large.

36 MATERIALS SCIENCE↗

Influence of Nitrogen on Hydrogenated Amorphous Carbon Thin Films Deposited by Plasma Focus Device

To carry out our research, a plasma focus device is used to deposit thin films of nitrogen doped hydrogenated amorphous carbon (a-C:H:N) onto the stainless steel-AISI-304 substrates at room temperature. Thin films are deposited with the same numbers of focus shots, at the same distance from the anode tip and with different partial pressures of nitrogen in the mixtures of acetylene/nitrogen as working gas. The nitrogen contents of deposited films are studied using nuclear reaction analysis (NRA) techniques. The results prove that nitrogen contents of the samples do not increase significantly by increasing partial pressure of nitrogen of the working gas for both sets of the samples. Moreover, NRA results exhibit the limitation of nitrogen incorporated into the samples, when this experimental setup is used. G-peak position and peak intensity ratio of the D-band to G-band (I{sub D}/I{sub G}) are used to investigate the diamond characters. Also, they show that sp{sup 2} clustering is highly dependent on the nitrogen atomic contents and angular position of the samples. Scanning electron microscopy (SEM) shows the granular surface morphology of the films. Furthermore, it shows that angular position of the samples with respect to the anode axis plays an important role in the grain size of the surface of the samples. The thickness of the films decreases significantly by increasing angular position of the samples, while it decreases slightly by increasing partial pressure of nitrogen of the working gas. The Vickers surface hardness of the thin films exhibits significant dependency on the sp{sup 2} clustering.

36 MATERIALS SCIENCE↗

Adaptive Reweighted Variance Estimation for Monte Carlo Eigenvalue Simulations

Monte Carlo (MC) simulation is used to solve the eigenvalue form of the Boltzmann transport equation to estimate various parameters such as fuel pin flux distributions that are crucial for the safe and efficient operation of nuclear systems (e.g., a nuclear reactor). Monte Carlo eigenvalue simulation uses a sample mean over many stationary cycles (iterations) to estimate various parameters important to nuclear systems. A variance estimate of the sample mean is often used for calculating the confidence intervals. However, MC eigenvalue simulation variance estimators that ignore the intercycle correlation underestimate the true variance of the estimated quantity. This paper presents novel data-adaptive approaches based on a simple autoregressive (AR) model and sigmoid functions to improve MC variance estimation. The standard MC sample-based variance estimator (or naïve estimator) and the spectral density–based MC variance estimator are enhanced by adding data-adaptive components that reduce their bias and improve performance. By investigating the frequency pattern of the AR(1) (order 1) model, two adaptive spectral estimators and one adaptive naïve estimator are proposed. The proposed estimators manifest superior performance when applied to three test problems compared to the standard spectral density–based estimator previously introduced by the authors. In conclusion, these new estimators are straightforward, as they use online algorithms and do not require storage of tallies from all active cycles.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The high pressure gas capabilities at Oak Ridge National Laboratory’s neutron facilities

The study of samples subjected to high pressure gas is an important asset in materials research and has consequently been a priority of the sample environment development at the Oak Ridge National Laboratory’s (ORNL) neutron program. Such effort has resulted in the availability of an extensive combination of pressure cells and gas intensifiers (both commercially available and custom made). These resources are available across both neutron facilities at ORNL: the Spallation Neutron Source and the High Flux Isotope Reactor. Current capabilities include, for example, in situ measurements up to 6 kbar and a 3 kbar hydrogen-capable intensifier with a gas recovery feature. In this communication, we will review the existing suite of high pressure gas capabilities, with special emphasis on recent in-house developments. Finally, a number of examples will be presented to illustrate how such capabilities are being deployed on neutron beamlines to enable frontier science.

47 OTHER INSTRUMENTATION↗