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At least 1,333 records · Page 74

Spectroscopic analysis of the NIR emission in Tm implanted Al{sub x}Ga{sub 1-x}N layers

Al{sub x}Ga{sub 1-x}N samples, with different AlN molar fractions, x = 0, 0.15, 0.77, and 1, grown by halide vapor phase epitaxy were implanted with Tm ions. Photoluminescence (PL) measurements revealed that after thermal annealing all the samples exhibit intraionic Tm{sup 3+} luminescence. In samples with x > 0, the low temperature emission is dominated by the lines that appear in the near infrared (NIR) spectral region, corresponding to the overlapped {sup 1}G{sub 4} → {sup 3}H{sub 5} and {sup 3}H{sub 4} → {sup 3}H{sub 6} multiplet transitions. A detailed spectroscopic analysis of NIR emission of the thulium implanted and annealed Al{sub x}Ga{sub 1-x}N layers is presented by using temperature dependent steady-state PL, room temperature PL excitation, and time resolved PL. The results indicate that the excitonic features sensitive to the alloy disorder are involved in the excitation population processes of the Tm{sup 3+} luminescence and the highest thermal stability for the NIR emission occurs for the AlN:Tm sample.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

From smart homes to smart laboratories: connected instruments for materials science

The current focus on artificial intelligence and machine learning in the scientific community has the potential to greatly speed up discovery. In this article, we explore what a “smart facility” would mean for materials science. We propose to capture meta-data at every step of an experiment, including materials synthesis, sample production and characterization, simulation, and the analysis software used to extract information. Although most of this information is captured in various institutional systems and staff logbooks, more insight could be obtained by connecting this information through a system that allows automation. AI-enabled processes built on such a system would have the potential of making experiment planning easier and minimize the time between experiment and publication.

Doucet, Mathieu↗

Studies of new Higgs boson interactions through nonresonant $HH$ production in the $ b\overline{b}\gamma \gamma $ final state in $pp$ collisions at $ \sqrt{s} $ = 13 TeV with the ATLAS detector

A search for nonresonant Higgs boson pair production in the $ b\overline{b}\gamma \gamma $ final state is performed using 140 fb –1 of proton-proton collisions at a centre-of-mass energy of 13 TeV recorded by the ATLAS detector at the CERN Large Hadron Collider. This analysis supersedes and expands upon the previous nonresonant ATLAS results in this final state based on the same data sample. The analysis strategy is optimised to probe anomalous values not only of the Higgs (H) boson self-coupling modifier κλ but also of the quartic HHVV (V = W, Z) coupling modifier κ 2V . No significant excess above the expected background from Standard Model processes is observed. An observed upper limit μHH < 4.0 is set at 95% confidence level on the Higgs boson pair production cross-section normalised to its Standard Model prediction. The 95% confidence intervals for the coupling modifiers are –1.4 < κ λ < 6.9 and –0.5 < κ 2V < 2.7, assuming all other Higgs boson couplings except the one under study are fixed to the Standard Model predictions. The results are interpreted in the Standard Model effective field theory and Higgs effective field theory frameworks in terms of constraints on the couplings of anomalous Higgs boson (self-)interactions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Quantitatively accounting for the effects of surface topography on the oxidation kinetics of additive manufactured Hastelloy X processed by electron beam melting

In this work, the effects of surface roughness on the high-temperature corrosion of nickel-based superalloy X produced through electron-beam melting (EBM) additive manufacturing were studied. Surface area of samples in the rough, as-fabricated condition was measured using a 2D cross-section image analysis technique and a 3D image analysis technique. To verify the accuracy of surface area measurements, oxidation testing of samples in the as-fabricated and polished conditions was performed; polished sample oxidation curves were then compared to the as-fabricated sample oxidation curves before and after being adjusted using obtained surface area measurements. It was found that the 2D technique accurately measured surface area and accounted for the overlapping features present on EBM sample surfaces, whereas the 3D technique did not. Further, it was also observed that oxidation kinetics were moderately faster on the alloy X samples in the as-fabricated condition than for the polished condition.

36 MATERIALS SCIENCE↗

Strengthening of Cu–Ni–Si alloy using high-pressure torsion and aging

An age-hardenable Cu–2.9%Ni–0.6%Si alloy was subjected to high-pressure torsion. Aging behavior was investigated in terms of hardness, electrical conductivity and microstructural features. Transmission electron microscopy showed that the grain size is refined to ∼ 150 nm and the Vickers microhardness was significantly increased through the HPT processing. Aging treatment of the HPT-processed alloy led to a further increase in the hardness. Electrical conductivity is also improved with the aging treatment. It was confirmed that the simultaneous strengthening by grain refinement and fine precipitation is achieved while maintaining high electrical conductivity. Three dimensional atom probe analysis including high-resolution transmission electron microscopy revealed that nanosized precipitates having compositions of a metastable Cu{sub 3}Ni{sub 5}Si{sub 2} phase and a stable NiSi phase were formed in the Cu matrix by aging of the HPT-processed samples and these particles are responsible for the additional increase in strength after the HPT processing. - Highlights: • Grain refinement is achieved in Corson alloy the size of ∼150nm by HPT. • Aging at 300°C after HPT leads to further increase in the mechanical property. • Electrical conductivity reaches 40% IACS after aging for 100 h. • 3D-APT revealed the formation of nanosized-precipitates during aging treatment. • Simultaneous hardening in both grain refinement and precipitation is achieved.

36 MATERIALS SCIENCE↗

Microstructure and micro-texture evolution during large strain deformation of Inconel alloy IN718

The hot deformation behaviour of Inconel alloy IN718 was studied in the temperature range of 950–1100 °C and at strain rates of 0.01 and 1 s{sup −1} with a view to understand the microstructural evolution as a function of strain rate and temperature. For this purpose, a single hit, hot isothermal plane strain compression (PSC) technique was used. The flow curves obtained during PSC exhibited weak flow softening at higher temperatures. Electron backscattered diffraction analysis (EBSD) of the PSC tested samples at the location of maximum strain revealed dynamic recrystallisation occurring at higher temperatures. Based on detailed microstructure and microtexture analyses, it was concluded that single step, large strain deformation has a distinct advantage in the thermo-mechanical processing of Inconel alloy IN718. - Highlights: • Plane strain compression (PSC) on IN718 was conducted. • Evolution of microstructure during large strain deformation was studied. • Flow curves exhibited weak softening at higher temperatures and dipping of the flow curve at a strain rate of 1 s{sup −1}. • Optimization of microstructure and process parameter for hot rolling possible by plane strain compression testing • Dynamic recrystallisation occurs in specimens deformed at higher temperatures and lower strain rates.

36 MATERIALS SCIENCE↗

De Novo Sequencing of Peptides from Top-Down Tandem Mass Spectra

De novo sequencing of proteins and peptides is one of the most important problems in mass spectrometry-driven proteomics. A variety of methods have been developed to accomplish this task from a set of bottom-up tandem (MS/MS) mass spectra. However, a more recently emerged top-down technology, now gaining more and more popularity, opens new perspectives for protein analysis and characterization, implying a need in efficient algorithms for processing this kind of MS/MS data. Here we describe a method that allows to retrieve from a set of top-down MS/MS spectra long and accurate sequence fragments of the proteins contained in a sample. To this end, we outline a strategy for generating high-quality sequence tags from top-down spectra, and introduce the concept of a T-Bruijn graph by adapting to the case of tags the notion of an A-Bruijn graph widely used in genomics. The output of the proposed approach represents the set of amino acid strings spelled out by optimal paths in the connected components of a T-Bruijn graph. We illustrate its performance on top-down datasets acquired from carbonic anhydrase 2 (CAH2) and the Fab region of alemtuzumab.

Environmental Molecular Sciences Laboratory↗

A global dataset of terrestrial biological nitrogen fixation

Biological nitrogen fixation (BNF) is the main natural source of new nitrogen inputs in terrestrial ecosystems, supporting terrestrial productivity, carbon uptake, and other Earth system processes. We assembled a comprehensive global dataset of field measurements of BNF in all major N-fixing niches across natural terrestrial biomes derived from the analysis of 376 BNF studies. The dataset comprises 32 variables, including site location, biome type, N-fixing niche, sampling year, quantification method, BNF rate (kg N ha −1 y −1 ), the percentage of nitrogen derived from the atmosphere (%N dfa ), N fixer or N-fixing substrate abundance, BNF rate per unit of N fixer abundance, and species identity. Overall, the dataset combines 1,207 BNF rates for trees, shrubs, herbs, soil, leaf litter, woody litter, dead wood, mosses, lichens, and biocrusts, 152 herb %N dfa values, 1,005 measurements of N fixer or N-fixing substrate abundance, and 762 BNF rates per unit of N fixer abundance for a total of 424 species across 66 countries. This dataset facilitates synthesis, meta-analysis, upscaling, and model benchmarking of BNF fluxes at multiple spatial scales.

Reis Ely, Carla R. [Oregon State Univ., Corvallis,↗

Case depth verification of hardened samples with Barkhausen noise sweeps

An interesting topic of recent Barkhausen noise (BN) method studies is the application of the method to case depth evaluation of hardened components. The utilization of BN method for this purpose is based on the difference in the magnetic properties between the hardened case and the soft core. Thus, the detection of case depth with BN can be achieved. The measurements typically have been carried out by using low magnetizing frequencies which have deeper penetration to the ferromagnetic samples than the conventional BN measurement. However, the penetration depth is limited due to eddy current damping of the signal. We introduce here a newly found sweep measurement concept for the case depth evaluation. In this study sweep measurements were carried out with various magnetizing frequencies and magnetizing voltages to detect the effect of different frequency and voltage and their correspondence to the actual case depth values verified from destructive characterization. Also a BN measurement device that has an implemented sweep analysis option was utilised. The samples were either induction or case-hardened samples and sample geometry contained both rod samples and gear axle samples with different case depth values. Samples were also further characterized with Xray diffraction to study the residual stress state of the surface. The detailed data processing revealed that also other calculated features than the maximum slope division of the 1st derivative of the BN signal could hold the information about the case depth value of the samples. The sweep method was able to arrange the axles into correct order according to the case depth value even though the axles were used.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Electron holography of devices with epitaxial layers

Applicability of electron holography to deep submicron Si devices with epitaxial layers is limited due to lack of the mean inner potential data and effects of the sample tilt. The mean inner potential V{sub 0} = 12.75 V of the intrinsic epitaxial SiGe was measured by electron holography in devices with Ge content C{sub Ge} = 18%. Nanobeam electron diffraction analysis performed on the same device structure showed that SiGe is strain-free in [220] direction. Our results showed good correlation with simulations of the mean inner potential of the strain-free SiGe using density function theory. A new method is proposed in this paper to correct electron holography data for the overlap of potentials of Si and the epitaxial layer, which is caused by the sample tilt. The method was applied to the analysis of the dopant diffusion in p-Field-effect Transistor devices with the identical gate length L = 30 nm, which had alternative SiGe geometry in the source and drain regions and was subjected to different thermal processing. Results have helped to understand electrical data acquired from the same devices in terms of dopant diffusion.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Drying and Analysis of Aluminum (Oxy)hydroxide Films for Dry Storage of Aluminum-Clad Spent Nuclear Fuels

In aluminum-clad spent nuclear fuels, an (oxy)hydroxide layer on the surface of the cladding hosts chemisorbed water formed during reactor and post-discharge exposure to water. Any residual water is susceptible to generating hydrogen via radiolysis, which can be a risk associated with dry fuel storage. Engineering-scale forced helium dehydration (FHD) and vacuum drying tests were conducted on mock-up fuel assemblies that included corroded aluminum surrogate plates to assess the removal of bulk and chemisorbed water. Thermogravimetric analysis was performed on samples of the surrogate plates, both undried control samples used to determine onset temperatures associated with a phase change occurring in the oxide layer and samples from drying tests used to determine the effectiveness of each drying method. Both vacuum drying and FHD processes were capable of removing bulk water. However, FHD was determined to provide additional drying capabilities, including partial removal of chemisorbed water from bayerite due to the higher temperatures during drying. In conclusion, the temperature threshold for partial dehydroxylation of the oxide layer was determined to be around 220°C, meaning any drying methods attempting to remove chemisorbed water must exceed 220°C.

chemisorbed water↗

Proteogenomic Analysis of a Thermophilic Bacterial Consortium Adapted to Deconstruct Switchgrass

Thermophilic bacteria are a potential source of enzymes for the deconstruction of lignocellulosic biomass. However, the complement of proteins used to deconstruct biomass and the specific roles of different microbial groups in thermophilic biomass deconstruction are not well-explored. Here we report on the metagenomic and proteogenomic analyses of a compost-derived bacterial consortium adapted to switchgrass at elevated temperature with high levels of glycoside hydrolase activities. Near-complete genomes were reconstructed for the most abundant populations, which included composite genomes for populations closely related to sequenced strains of Thermus thermophilus and Rhodothermus marinus, and for novel populations that are related to thermophilic Paenibacilli and an uncultivated subdivision of the littlestudied Gemmatimonadetes phylum. Partial genomes were also reconstructed for a number of lower abundance thermophilic Chloroflexi populations. Identification of genes for lignocellulose processing and metabolic reconstructions suggested Rhodothermus, Paenibacillus and Gemmatimonadetes as key groups for deconstructing biomass, and Thermus as a group that may primarily metabolize low molecular weight compounds. Mass spectrometry-based proteomic analysis of the consortium was used to identify .3000 proteins in fractionated samples from the cultures, and confirmed the importance of Paenibacillus and Gemmatimonadetes to biomass deconstruction. These studies also indicate that there are unexplored proteins with important roles in bacterial lignocellulose deconstruction.

Environmental Molecular Sciences Laboratory↗

Towards a method of rapid extraction of strontium-90 from urine: urine pretreatment and alkali metal removal

A technical program to support the Centers of Disease Control and Prevention is being developed to provide an analytical method for rapid extraction of Sr-90 from urine, with the intent of assessing the general population’s exposure during an emergency response to a radiological terrorist event. Results are presented on the progress in urine sample preparation and chemical separation steps that provide an accurate and quantitative detection of Sr-90 based upon an automated column separation sequence and a liquid scintillation assay. Batch extractions were used to evaluate the urine pretreatment and the column separation efficiency and loading capacity based upon commercial, extractant-loaded resins. An efficient pretreatment process for decolorizing and removing organics from urine without measurable loss of radiostrontium from the sample was demonstrated. In addition, the Diphonix® resin shows promise for the removal of high concentrations of common strontium interferents in urine as a first separation step for Sr-90 analysis.

61 RADIATION PROTECTION AND DOSIMETRY↗

Information Signals in Automatic Production Control Systems

Attention focuses on the functional relations between the information signals processed in automatic production control systems, with a view to constructing a monitoring system for network interactions that is able to detect abnormal operation. The parameters of information signals, types of functional relations, and methods of determining such relations by statistical analysis are described. The sample size for reliable determination of the basic relations between the information signals is estimated.

42 ENGINEERING↗

Site-Wide Integrated Water Monitoring -- Defining and Implementing Sampling Objectives to Support Site Closure

The Underground Test Area (UGTA) activity is responsible for assessing and evaluating the effects of the underground nuclear weapons tests on groundwater at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), and implementing a corrective action closure strategy. The UGTA strategy is based on a combination of characterization, modeling studies, monitoring, and institutional controls (i.e., monitored natural attenuation). The closure strategy verifies through appropriate monitoring activities that contaminants of concern do not exceed the SDWA at the regulatory boundary and that adequate institutional controls are established and administered to ensure protection of the public. Other programs conducted at the NNSS supporting the environmental mission include the Routine Radiological Environmental Monitoring Program (RREMP), Waste Management, and the Infrastructure Program. Given the current programmatic and operational demands for various water-monitoring activities at the same locations, and the ever-increasing resource challenges, cooperative and collaborative approaches to conducting the work are necessary. For this reason, an integrated sampling plan is being developed by the UGTA activity to define sampling and analysis objectives, reduce duplication, eliminate unnecessary activities, and minimize costs. The sampling plan will ensure the right data sets are developed to support closure and efficient transition to long-term monitoring. The plan will include an integrated reporting mechanism for communicating results and integrating process improvements within the UGTA activity as well as between other U.S. Department of Energy (DOE) Programs.

54 ENVIRONMENTAL SCIENCES↗

Air Sample Conditioner Helps the Waste Treatment Plant Meet Emissions Standards

The air in three of the Hanford Site Waste Treatment and Immobilization Plant (WTP) melter off-gas discharge stacks will be hot and humid after passing through the train of emission abatement equipment. The off-gas temperature and humidity levels will be incompatible with the airborne emissions monitoring equipment required for this type of stack. To facilitate sampling from these facilities, an air sample conditioner system will be installed to introduce cool, dry air into the sample stream to reduce the temperature and dew point. This will avoid thermal damage to the instrumentation and problematic condensation. The complete sample transport system must also deliver at least 50% of the particles in the sample airstream to the sample collection and on-line analysis equipment. The primary components of the sample conditioning system were tested in a laboratory setting. The sample conditioner itself is based on a commercially-available porous tube filter design. It consists of a porous sintered metal tube inside a coaxial metal jacket. The hot gas sample stream passes axially through the porous tube, and the dry, cool air is injected into the jacket and through the porous wall of the inner tube, creating an effective sample diluter. The dilution and sample air mix along the entire length of the porous tube, thereby simultaneously reducing the dew point and temperature of the mixed sample stream. Furthermore, because the dilution air enters through the porous tube wall, the sample stream does not come in contact with the porous wall and particle deposition is reduced in this part of the sampling system. Tests were performed with an environmental chamber to supply air with the temperature and humidity needed to simulate the off-gas conditions. Air from the chamber was passed through the conditioning system to test its ability to reduce the temperature and dew point of the sample stream. To measure particle deposition, oil droplets in the range of 9 to 11 micrometer aerodynamic diameter were injected into the environmental chamber and drawn through the conditioning system, which included a filter to capture droplets that passed through the conditioner. The droplets were tagged with a fluorescent dye which allowed quantification of droplet deposition on each component of the system. The tests demonstrated the required reductions in temperature and moisture, with no condensation forming when heat tracing was added on the upstream end of the sample conditioner. Additionally, tests indicated that the system, operating at several flow rates and in both vertical and horizontal orientations, delivers nearly all of the sampled particles for analysis. Typical aerosol penetration values were between 98 and 99%. PNNL, Bechtel National Inc., and the instrument vendor are working to implement the sample conditioner into the air monitoring systems used for the melter off-gas exhaust streams. Similar technology may be useful for processes in other facilities with air exhaust streams with elevated temperature and/or humidity.

sample conditioning↗

Site-Wide Integrated Water Monitoring - Defining and Implementing Sampling Objectives to Support Site Closure - 13060

The Underground Test Area (UGTA) activity is responsible for assessing and evaluating the effects of the underground nuclear weapons tests on groundwater at the Nevada National Security Site (NNSS), formerly the Nevada Test Site (NTS), and implementing a corrective action closure strategy. The UGTA strategy is based on a combination of characterization, modeling studies, monitoring, and institutional controls (i.e., monitored natural attenuation). The closure strategy verifies through appropriate monitoring activities that contaminants of concern do not exceed the SDWA at the regulatory boundary and that adequate institutional controls are established and administered to ensure protection of the public. Other programs conducted at the NNSS supporting the environmental mission include the Routine Radiological Environmental Monitoring Program (RREMP), Waste Management, and the Infrastructure Program. Given the current programmatic and operational demands for various water-monitoring activities at the same locations, and the ever-increasing resource challenges, cooperative and collaborative approaches to conducting the work are necessary. For this reason, an integrated sampling plan is being developed by the UGTA activity to define sampling and analysis objectives, reduce duplication, eliminate unnecessary activities, and minimize costs. The sampling plan will ensure the right data sets are developed to support closure and efficient transition to long-term monitoring. The plan will include an integrated reporting mechanism for communicating results and integrating process improvements within the UGTA activity as well as between other U.S. Department of Energy (DOE) Programs. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗