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At least 1,459 records · Page 81

Compositional depth profiling of TaCN thin films

The composition profiling of thin TaCN films was studied. For the composition profile determination using x-ray photoemission spectrometry (XPS) in combination with Ar sputtering, preferential sputtering effects of N with respect to Ta and C were found to lead to inaccurate elemental concentrations. Sputter yield calculations for the given experimental conditions allowed for the correction of a part of the error, leading to fair accuracy by reference-free measurements. Further improvement of the accuracy was demonstrated by the calibration of the XPS compositions against elastic recoil detection analysis (ERDA) results. For Auger electron spectrometry (AES) in combination with Ar sputtering, accurate results required the calibration against ERDA. Both XPS and AES allowed for a reliable and accurate determination of the compositional profiles of TaCN-based thin films after calibration. Time-of-flight secondary-ion mass spectrometry was also used to assess the composition of the TaCN films. However, the analysis was hampered by large matrix effects due to small unintentional oxygen contents in the films. Energy-dispersive x-ray spectrometry is also discussed, and it is shown that an accurate reference-free measurement of the average film concentration can be achieved.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Systematic evaluation of four-dimensional hybrid depth scanning for carbon-ion lung therapy

Purpose: Irradiation of a moving target with a scanning beam requires a comprehensive understanding of organ motion as well as a robust dose error mitigation technique. The authors studied the effects of intrafractional respiratory motion for carbon-ion pencil beam scanning with phase-controlled rescanning on dose distributions for lung tumors. To address density variations, they used 4DCT data. Methods: Dose distributions for various rescanning methods, such as simple layer rescanning (LR), volumetric rescanning, and phase-controlled rescanning (PCR), were calculated for a lung phantom and a lung patient studies. To ensure realism, they set the scanning parameters such as scanning velocity and energy variation time to be similar to those used at our institution. Evaluation metrics were determined with regard to clinical relevance, and consisted of (i) phase-controlled rescanning, (ii) sweep direction, (iii) target motion (direction and amplitude), (iv) respiratory cycle, and (v) prescribed dose. Spot weight maps were calculated by using a beam field-specific target volume, which takes account of range variations for respective respiratory phases. To emphasize the impact of intrafractional motion on the dose distribution, respiratory gating was not used. The accumulated dose was calculated by applying a B-spline-based deformable image registration, and the results for phase-controlled layered rescanning (PCR{sub L}) and phase-controlled volumetric rescanning (PCR{sub V}) were compared. Results: For the phantom study, simple LR was unable to improve the dose distributions for an increased number of rescannings. The phase-controlled technique without rescanning (1 Multiplication-Sign PCR{sub L} and 1 Multiplication-Sign PCR{sub V}) degraded dose conformity significantly due to a reduced scan velocity. In contrast, 4 Multiplication-Sign PCR{sub L} or more significantly and consistently improved dose distribution. PCR{sub V} showed interference effects, but in general also improved dose homogeneity with higher numbers of rescannings. Dose distributions with single PCR{sub L}/PCR{sub V} with a sweep direction perpendicular to motion direction showed large hot/cold spots; however, this effect vanished with higher numbers of rescannings for both methods. Similar observations were obtained for the other dose metrics, such as target motion (SI/AP), amplitude (6-22 mm peak-to-peak) and respiratory period (3.0-5.0 s). For four or more rescannings, both methods showed significantly better results, albeit that volumetric PCR was more affected by interference effects, which lead to severe degradation of a few dose distributions. The clinical example showed the same tendencies as the phantom study. Dose assessment metrics (D95, Dmax/Dmin, homogeneity index) were improved with an increasing number of PCR{sub L}/PCR{sub V}, but with PCR{sub L} being more robust. Conclusions: PCR{sub L} requires a longer treatment time than PCR{sub V} for high numbers of rescannings in the NIRS scanning system but is more robust. Although four or more rescans provided good dose homogeneity and conformity, the authors prefer to use more rescannings for clinical cases to further minimize dose degradation effects due to organ motion.

60 APPLIED LIFE SCIENCES↗

Depth-resolved registration of transesophageal echo to x-ray fluoroscopy using an inverse geometry fluoroscopy system

Purpose: Image registration between standard x-ray fluoroscopy and transesophageal echocardiography (TEE) has recently been proposed. Scanning-beam digital x-ray (SBDX) is an inverse geometry fluoroscopy system designed for cardiac procedures. This study presents a method for 3D registration of SBDX and TEE images based on the tomosynthesis and 3D tracking capabilities of SBDX. Methods: The registration algorithm utilizes the stack of tomosynthetic planes produced by the SBDX system to estimate the physical 3D coordinates of salient key-points on the TEE probe. The key-points are used to arrive at an initial estimate of the probe pose, which is then refined using a 2D/3D registration method adapted for inverse geometry fluoroscopy. A phantom study was conducted to evaluate probe pose estimation accuracy relative to the ground truth, as defined by a set of coregistered fiducial markers. This experiment was conducted with varying probe poses and levels of signal difference-to-noise ratio (SDNR). Additional phantom and in vivo studies were performed to evaluate the correspondence of catheter tip positions in TEE and x-ray images following registration of the two modalities. Results: Target registration error (TRE) was used to characterize both pose estimation and registration accuracy. In the study of pose estimation accuracy, successful pose estimates (3D TRE < 5.0 mm) were obtained in 97% of cases when the SDNR was 5.9 or higher in seven out of eight poses. Under these conditions, 3D TRE was 2.32 ± 1.88 mm, and 2D (projection) TRE was 1.61 ± 1.36 mm. Probe localization error along the source-detector axis was 0.87 ± 1.31 mm. For the in vivo experiments, mean 3D TRE ranged from 2.6 to 4.6 mm and mean 2D TRE ranged from 1.1 to 1.6 mm. Anatomy extracted from the echo images appeared well aligned when projected onto the SBDX images. Conclusions: Full 6 DOF image registration between SBDX and TEE is feasible and accurate to within 5 mm. Future studies will focus on real-time implementation and application-specific analysis.

60 APPLIED LIFE SCIENCES↗

Bacterial Secondary Metabolite Biosynthetic Potential in Soil Varies with Phylum, Depth, and Vegetation Type

Microbes produce specialized compounds to compete or communicate with one another and their environment. Some of these compounds, such as antibiotics, are also useful in medicine and biotechnology. Historically, most antibiotics have come from soil bacteria which can be isolated and grown in the lab. Though the vast majority of soil bacteria cannot be isolated, we can extract their genetic information and search it for genes which produce these specialized compounds. These understudied soil bacteria offer a wealth of potential for the discovery of new and important microbial products. Here, we identified the ability to produce these specialized compounds in diverse and novel bacteria in a range of soil environments. This information will be useful to other researchers who wish to isolate certain products. Beyond their use to humans, understanding the distribution and function of microbial products is key to understanding microbial communities and their effects on biogeochemical cycles.

59 BASIC BIOLOGICAL SCIENCES↗

Microbial Communities across Global Marine Basins Show Important Compositional Similarities by Depth

The environmental surveys following the 2010 Deepwater Horizon (DWH) spill identified a variety of hydrocarbon-degrading microorganisms, and laboratory studies with field-collected water samples then demonstrated faster-than-expected hydrocarbon biodegradation rates at 5°C. Knowledge about microbial community composition, diversity, and functional metabolic capabilities aids in understanding and predicting petroleum biodegradation by microbial communities in situ and is therefore an important component of the petroleum spill response decision-making process. This study investigates the taxonomic composition of microbial communities in six different global basins where petroleum and gas activities occur. Shallow-water communities were strikingly similar across basins, while deep-water communities tended to show subclusters by basin, with communities from the epipelagic, mesopelagic, and bathypelagic zones sometimes appearing within the same cluster. Microbial taxa that were enriched in the water column in the Gulf of Mexico following the DWH spill were found across marine basins. Several hydrocarbon-degrading genera (e.g., Actinobacteria, Pseudomonas, and Rhodobacteriacea) were common across all basins. Other genera such as Pseudoalteromonas and Oleibacter were highly enriched in specific basins.

59 BASIC BIOLOGICAL SCIENCES↗

Results of In-Depth Analysis of Data Obtained in the Experimental Search for 2K(2ν)-Capture in {sup 78}Kr

A brief description of the results of joint analysis of data obtained in long-term measurements of krypton samples differing in {sup 78}Kr content is presented. Low-background high-pressure proportional gas counters were used as detectors. The comparative analysis of experimental data on single and double K -capture provided the first estimate of the probability of production of a double K -shell vacancy in the process of K -shell electron capture in {sup 81}Kr: P{sub KK}=[5.7±0.8 (stat.)±0.4 (syst.)]×10{sup −5}. A new result for the half-life of {sup 78}Kr with respect to the 2K(2ν)-mode was also obtained: T{sub 1/2}=[1.9{sub −0.7}{sup +1.3} (stat.)±0.3 (syst.)]×10{sup 22} years (90% CL).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Luminescence Properties of GaInAsP Layers with Graded Composition–Depth Profiles Grown on InP Substrates

Luminescence properties of epilayers of Ga{sub 1 –x}In{sub x}As{sub y}P{sub 1 –y} (GaInAsP) solid solutions with graded content of Group V elements (Δy up to 0.08 over a total thickness of about 1 μm) were studied at 77 and 300 K. The photoluminescence (PL) spectra of GaInAsP epilayers with large Δy values were broadened. The GaInAsP epilayers of low crystalline perfection exhibited either no PL emission or showed PL spectra characteristic of transitions involving impurity energy levels.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

An In-Depth Analysis of the Transformation of Tin Foil Anodes during Electrochemical Cycling in Lithium-Ion Batteries

Tin foils have an impressive lithium-storage capacity more than triple that of graphite anodes, and their adoption could facilitate a drastic improvement in battery energy density. However, implementation of a dense foil electrode architecture represents a significant departure from the standard blade-cast geometry with a distinct electrochemical environment, and this has led to confusion with regards to the first cycle efficiency of the system. In this work, we investigate the unique behavior of a tin active material in a foil architecture to understand its performance as an anode. We find shallow cycling of the foil results in an irreversible formation (< 40%) due to diffusional trapping, but intermediate and complete utilization allows for a remarkably reversible formation reaction (> 90%). This striking nonlinearity stems from an in situ transformation from bulk metal to porous electrode that occurs during formation cycles and defines electrode-level lithium-transport on subsequent cycles. As a result, an alternative cycling procedure for assessing the stability of foils is proposed to account for this chemomechanical effect.

25 ENERGY STORAGE↗

Across-Depth Heterogeneity and Irreversibility of Fast-Charge-Driven Lithium Plating

Enabling fast charging in lithium-ion batteries (LIBs) is a key factor for resolving consumers’ “range anxiety” concerns in choosing an electric vehicle over a gasoline-powered one. The best-known issue in the fast charging of current LIBs (based on LiNi x Mn y Co 1–x–y O 2 /graphite) is lithium plating, which is barely reversible and is accompanied by capacity loss over time. Therefore, understanding the reasons for the irreversibility of lithium plating driven by fast charging is critical to enhancing the fast-charging capability of LIBs. Here, a study of the irreversibility and heterogeneity of lithium plating is carried out by using electrochemical analyses, inductively coupled plasma mass spectroscopy, and X-ray photoelectron spectroscopy. Further, the study shows that the majority of the lithium plated during fast charging remains inactive even with very slow discharging rates, implying that most of the plated lithium is irreversibly lost. The study also reveals that chemical compounds such as LiF, Li 2 O and Li 2 (CO 3 ) are formed heterogeneously within the lithium plating and are responsible for some of the irreversibility of the plated lithium.

33 ADVANCED PROPULSION SYSTEMS↗

Depth-First Atmospheric River lifecycle Tracking (DART) v1

This algorithm will identify the genesis and track the lifecycle of atmospheric rivers. It can be applied in different global atmospheric river detection algorithms. It is one of the earliest atmospheric river lifecycle tracking algorithms.

Zhou, Yang↗

PAPI software-defined events for in-depth performance analysis

The methodology and standardization layer provided by the Performance Application Programming Interface (PAPI) has played a vital role in application profiling for almost two decades. It has enabled sophisticated performance analysis tool designers and performance-conscious scientists to gain insights into their applications by simply instrumenting their code using a handful of PAPI functions that “just work” across different hardware components. In the past, PAPI development had focused primarily on hardware-specific performance metrics. However, the rapidly increasing complexity of software infrastructure poses new measurement and analysis challenges for the developers of large-scale applications. In particular, acquiring information regarding the behavior of libraries and runtimes—used by scientific applications—requires low-level binary instrumentation, or APIs specific to each library and runtime. No uniform API for monitoring events that originate from inside the software stack has emerged. In this article, we present our efforts to extend PAPI’s role so that it becomes the de facto standard for exposing performance-critical events, which we refer to as software-defined events (SDEs), from different software layers. Upgrading PAPI with SDEs enables monitoring of both types of performance events—hardware- and software-related events—in a uniform way, through the same consistent PAPI. The goal of this article is threefold. First, we motivate the need for SDEs and describe our design decisions regarding the functionality we offer through PAPI’s new SDE interface. Second, we illustrate how SDEs can be utilized by different software packages, specifically, by showcasing their use in the numerical linear algebra library MAGMA-Sparse, the tensor algebra library TAMM that is part of the NWChem suite, and the compiler-based performance analysis tool Byfl. Third, we provide a performance analysis of the overhead that results from monitoring SDEs and discuss the trade-offs between overhead and functionality.

Jagode, Heike↗

Spatial distribution of HTO activity in unsaturated soil depth in the vicinity of long-term release source

Previous studies reported about a correlation between HTO activity distribution in unsaturated soil layer and atmospheric long-term releases of HTO in the vicinity of Savannah River Site. The Tritium Working Group of BIOMASS Programme has performed a model-model intercomparison study of HTO transport from atmosphere to unsaturated soil and has evaluated HTO activity distribution in the unsaturated soil layer in the vicinity of permanent atmospheric sources. The Tritium Working Group has also reported about such a correlation, however the conclusion was that experimental data sets are needed to confirm this conclusion and also to validate appropriate computer models. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗