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At least 1,351 records · Page 75

A Fast-Cycle Charge Noise Measurement for Better Qubits

Defects in materials are an ongoing challenge for quantum bits, so called qubits. Solid state qubits—both spins in semiconductors and superconducting qubits—suffer from losses and noise caused by two-level-system (TLS) defects thought to reside on surfaces and in amorphous materials. Understanding and reducing the number of such defects is an ongoing challenge to the field. Superconducting resonators couple to TLS defects and provide a handle that can be used to better understand TLS. We develop noise measurements of superconducting resonators at very low temperatures (20 mK) compared to the resonant frequency, and low powers, down to single photon occupation.

36 MATERIALS SCIENCE↗

High Average Power RF Window with Improved Multipactor Coating

Multipactor emission can be a serious issue for vacuum electron devices operating at megawatt power levels. It can lead to catastrophic failure from surface arcs or excessive heating of ceramic windows. Titanium nitride is effective at suppressing multipactor emission; however, sputter coating is not strongly bonded to surfaces and issue related to lifetime have arisen. It’s difficult to ensure a uniform coating over large surfaces. This research investigated atomic layer deposition (ALD) as an improved alternative to sputtered coatings. Test windows were fabricated and coated with TiN using ALD, then tested for RF loss and secondary emission. All ALD samples showed RF loss less than 0.01dB with secondary emission yield equal to or better than reported measurements with sputter coated windows. The program also designed a preliminary ALD system capable of coating windows up to 24 inches in diameter.

43 PARTICLE ACCELERATORS↗

Response of a store with tunable natural frequencies in compressible cavity flow

Fluid–structure interactions that occur during aircraft internal store carriage were experimentally explored at Mach 0.58–1.47 using a generic, aerodynamic store installed in a rectangular cavity having a length-to-depth ratio of seven. The store vibrated in response to the cavity flow at its natural structural frequencies, and it exhibited a directionally dependent response to cavity resonance frequencies. Cavity tones excited the store in the streamwise and wall-normal directions consistently, whereas the spanwise response to cavity tones was much more limited. Increased surface area associated with tail fins raised vibration levels. The store had interchangeable components to vary its natural frequencies by about 10–300 Hz. By tuning natural frequencies, mode-matched cases were explored where a prominent cavity tone frequency matched a structural natural frequency of the store. Mode matching in the streamwise and wall-normal directions produced substantial increases in peak store vibrations, though the response of the store remained linear with dynamic pressure. Near mode-matched frequencies, changes in cavity tone frequencies of only 1% altered store peak vibrations by as much as a factor of two. In conclusion, mode matching in the spanwise direction did little to increase vibrations.

42 ENGINEERING↗

Collisional Excitation and Non-LTE Modeling of Interstellar Chiral Propylene Oxide

Abstract The first set of theoretical rotational cross sections for propylene oxide (CH 3 CHCH 2 O) colliding with cold He atoms has been obtained at the full quantum level using a high-accuracy potential energy surface. By scaling the collision reduced mass, rotational rate coefficients for collisions with para-H 2 are deduced in the temperature range 5–30 K. These collisional coefficients are combined with radiative data in a non-LTE radiative transfer model in order to reproduce observations of propylene oxide made toward the Sagittarius B2(N) molecular cloud with the Green Bank and Parkes radio telescopes. The three detected absorption lines are found to probe the cold (∼10 K) and translucent ( n H ∼ 2000 cm −3 ) gas in the outer edges of the extended Sgr B2(N) envelope. The derived column density for propylene oxide is N tot ∼ 3 × 10 12 cm −2 , corresponding to a fractional abundance relative to total hydrogen of ∼2.5 × 10 −11 . The present results are expected to help our understanding of the chemistry of propylene oxide, including a potential enantiomeric excess, in the cold interstellar medium.

79 ASTRONOMY AND ASTROPHYSICS↗

ORNLERASE - EPA COUNTS PER MINUTE CALCULATOR CONVERSION FACTORS

This database is used in the EPA's Superfund Counts Per Minute (CPM) Calculator (https://epa-cpm.ornl.gov/index.html). This database contains conversion factors used in the calculator that help users estimate the expected radiation detector reading, in counts per minute (CPM), corresponding to a measured radioactivity level reported in either pCi/cm² or pCi/g. Because surface contamination and volumetric contamination behave differently, the tool uses separate conversion processes, each based on Monte Carlo N-Particle (MCNP)–derived conversion factors. The CPM Calculator supports conversions for a range of common environmental media—including soil, steel, glass, drywall, concrete, and wood—to generate detector-ready CPM values. The primary goal of this tool is to enable more efficient, real-time field measurements, reducing reliance on laboratory analyses and ultimately saving both time and money during Superfund assessments.

Dolislager, Fred [ORNL] (ORCID:0009000325477921)↗

Analytical TEM characterization of modified F82H and 14YW under irradiation of simultaneous helium and neutron irradiation compared to only neutron at 500 C

A RAFM steel and an ODS ferritic alloy (F82H.mod3+CW and 14YW, respectively) were irradiated as part of the JP27 irradiation experiment conducted in the High Flux Isotope Reactor to explore He effects in structural alloys. The ISHI technique is used to implant He up to 9 µm below the surface of a NiAl coated sample at He/dpa levels up to ~50. This report summarizes the current status of TEM characterization of two irradiated alloys. The He-implanted side of the RAFM alloy exhibited significant swelling due to bubble and void formation within the matrix, on pre-existing dislocations, and at interfaces within the material. The 14YW alloy exhibited significant swelling even in the absence of implanted He, primarily through large voids that formed on the ODS particles. In addition, significant radiation-induced segregation of the Cr was observed around oxide particles and on lath boundaries, and visible α' particles could be detected via elemental mapping of the matrix of the 14YW alloy.

36 MATERIALS SCIENCE↗

Radiological Surveys of 1600 km of In-Use Roads in Ichinoseki City, Japan Following the Fukushima Dai-ichi Reactor Accident - 17467

In March 2011, the Japanese Fukushima Dai-ichi nuclear reactor was damaged by a 9.0 magnitude earth quake and subsequent 15-meter tsunami. As a result of the nuclear reactor accident, radioactive material from the nuclear reactor and fuel storage pool (primarily radioactive iodine and cesium) was released to the atmosphere and carried by the wind as a plume that spread radioactive contamination across roughly 13,000 square kilometers of the countryside. Amec Foster Wheeler's Radiological Services and Engineering Group mobilized a team of Engineers and Operators to Japan to implement a radiological survey (scan) of roads located in Ichinoseki City, Iwate Prefecture, north of Fukushima, using three of Amec Foster Wheeler's Orion ScanPlotSM advanced radiological scanning systems. The survey was performed in less than two months while the roads were kept open for public use, and was conducted with motorized scooters and battery-assisted bicycles. The survey was performed with operational support from Obayashi, Inc., a large Japanese construction company headquartered in Tokyo. Over a seven-week period, the ScanPlotSM systems covered approximately 1,600 kilometers of roads within Ichinoseki City and surrounding areas of Iwate Prefecture. ScanPlotSM systems recorded GPS locations and radiation dose rate levels from Cs-137 on the road's surface at one-second increments during the survey and displayed the dose rate reading in micro-Sieverts per hour (μSv/h) on the back of the bicycle or motor scooter in real-time on a results monitor so that members of the public would be able to see real-time data. Radiological survey data was provided to Obayashi daily for development of survey result maps for the city. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

9. Support, Raft, Brim, and Skirt Pathing

The previous chapters discussed the primary path types in additive manufacturing: perimeter, inset, skeleton, skin, and infill. In addition to those distinct primary path types, regions of primary paths can be assigned secondary path types: support, raft, brim, and skirt. Support paths are used to enable the printing of features that would otherwise have nothing underneath to print atop, such as overhangs. Raft paths are used to level the build plate and provide a flat surface on which to construct the object. Brim toolpaths are used to increase the footprint of the object to improve bed adhesion and reduce first layer delamination. The last path type, the skirt, is used to prime the extruder at the start of the print. These four types of path regions are created using a combination of closed-loop, open-loop, and space-filling toolpaths. This chapter will discuss how to find and generate the pathing for each region.

Roschli, Alex↗

Investigation of coherence of niobium-based resonators enabled by a fast-sealing microwave cavity

Resonators and qubits with a niobium (Nb) base metal layer achieve some of the highest coherence times in superconducting quantum devices. The performance of such devices is often limited by loss associated with two-level systems, which are found primarily at material surfaces and interfaces. The metal-air (MA) interface is a major contributor to device loss. In this work, we develop a fast-sealing microwave cavity that enables devices to be placed under vacuum within five minutes of oxide removal, thereby significantly reducing the MA interface loss compared to common device processing and packaging approaches. Using coplanar stripline resonators, we demonstrate that devices sealed in such a cavity exhibit internal quality factors exceeding one million at single-photon power. After re-exposure to air, the devices show downward resonance frequency shifts and quality factor degradations, quantitatively consistent with a model of Nb oxide regrowth. The fast-sealing microwave cavity provides a practical and consistent method to mitigate MA interface loss and sustain high coherence in Nb devices, and establishes a controlled platform for studying metal oxide regrowth kinetics and dielectric properties, the understanding of which is critical to achieving high coherence in superconducting quantum devices.

Zhang, C. [Waterloo U., IQC; Waterloo U.]↗

Deep Learning Estimation of Daily Ground–Level NO 2 Concentrations from Remote Sensing Data

The limited number of nitrogen dioxide (NO 2 ) surface measurements calls for the development of highly accurate approaches to estimating surface NO 2 concentrations. In this study, we leverage a new satellite instrument, the TROPOspheric Monitoring Instrument (TROPOMI), along with other predictor variables, to estimate daily surface NO 2 concentrations over Texas in 2019. We use the deep convolutional neural network (Deep-CNN), an advanced deep learning algorithm, to obtain estimates and achieve a correlation coefficient (R) of 0.91, an index of agreement (IOA) of 0.95, and a mean absolute bias (MAB) of 1.75 ppb in surface NO 2 estimation. Additionally, we leverage a novel approach, SHapley Additive exPlanations (SHAP), to describe how Deep-CNN understands each predictor variable. The SHAP results show that the Deep-CNN model has an advanced understanding of the dataset, revealing that TROPOMI closely captures levels of NO 2 . In addition, we show the superiority of our Deep-CNN model at estimating surface NO 2 over other well-known machine learning and regression models in the field, including the support vector machines (SVM), random forest (RF), and multiple linear regression (MLR). Although SVM and RF show strong capabilities at estimating surface NO 2 concentrations, their accuracy is inferior to that of the Deep-CNN model, ranking second and third in model accuracy in this study. The MLR, however, shows a poor ability at NO 2 estimation and ranks last among all models. Furthermore, testing the impact of sample size on model performance, we also show that, compared to other models, Deep-CNN needs more samples to trigger its strength at surface NO 2 estimation.

54 ENVIRONMENTAL SCIENCES↗

Exploring Electrocatalysis of Methane on Transition Metal Surfaces (Final Technical Report)

The original primary objective of this project focused on detailed and systematic molecular-level mechanistic studies of low-temperature (~100 °C) electrochemical (EC) direct methane-to-methanol (DMTM) conversion on selected transition metal surfaces. The latter include PtRu, PdAu, and NiCu electrocatalysts. Specifically, the proposed studies aimed to test a bifunctional hypothetical DMTM reaction mechanism on these electrocatalysts.

36 MATERIALS SCIENCE↗

ScO x rich surface terminations on lanthanide scandate nanoparticles

We report that the lanthanide scandate materials are widely used substrates for thin film growth and the potential applications of the LnScO 3 materials continue to grow with the recent ability to synthesize them as cuboidal faceted nanoparticles. A comprehensive understanding of the surface structure and chemistry of these oxides is essential for their informed application, either as single crystal or high surface area nanoparticle substrates. Here the {100} pseudocubic surfaces of LnScO 3 (Ln = La, Nd, Sm, Gd) nanoparticles were examined with aberration-corrected electron microscopy and higher-level density functional theory to reveal ScO x rich terminations across all investigated surfaces. Mixed terminations of single and double layer nature were observed, indicating the presence of multiple domains at the surface and introducing the possibility of synthetically controlling the surface reconstruction in the future.

36 MATERIALS SCIENCE↗

Leveling of Polymer Grating Structures upon Heating: Dimension Dependence on the Nanoscale and the Effect of Antiplasticizers

The transition temperatures of nanoscale polymeric films are measured from a leveling experiment where a designed nanostructure is heated from below. Surface tension forces drive the relaxation of the polymeric features, allowing direct measurement of the critical temperature of collapse, T-flow and indirect measurement of the glass transition temperature, T-G. Small-angle X-ray scattering and atomic force microscopy are used to follow the leveling dynamics, whereas a mathematical model for the momentum balance is implemented to extract the viscosity of the polymer film as a function of temperature. Our methodology is illustrated in the context of films of poly(methyl methacrylate) that are patterned via nanoimprint lithography into dense gratings. We study how the glass transition temperature and the critical temperature of collapse vary as a function of the film size and the inclusion of the antiplasticizer, tris(2-chloropropyl) phosphate. The grating periods are varied consistently between 80 and 240 nm, whereas the antiplasticizer concentrations are 1, 3, 5, and 10 wt %. The solution of the momentum balance allows the detailed correlation between stresses, curvature, heating, and shear rates during leveling. We found that both temperatures, T-G and T-flow, decrease as the film size decreases or as the concentration of the antiplasticizer increases. In addition, antiplasticizer concentrations between 3 and 5 wt % stabilize the size dependence of T-flow. We show that the nature of the antiplasticizer is effectively to increase the low-temperature viscosity of the film. However, during leveling, the antiplasticized film sustains its curvature, thereby driving a sudden relaxation, once T-G is reached, and increasing the possibilities of defects.

glass transition↗

Al capping layers for nondestructive x-ray photoelectron spectroscopy analyses of transition-metal nitride thin films

X-ray photoelectron spectroscopy (XPS) compositional analyses of materials that have been air exposed typically require ion etching in order to remove contaminated surface layers. However, the etching step can lead to changes in sample surface and near-surface compositions due to preferential elemental sputter ejection and forward recoil implantation; this is a particular problem for metal/gas compounds and alloys such as nitrides and oxides. Here, the authors use TiN as a model system and compare XPS analysis results from three sets of polycrystalline TiN/Si(001) films deposited by reactive magnetron sputtering in a separate vacuum chamber. The films are either (1) air-exposed for ≤10 min prior to insertion into the ultrahigh-vacuum (UHV) XPS system; (2) air-exposed and subject to ion etching, using different ion energies and beam incidence angles, in the XPS chamber prior to analysis; or (3) Al-capped in-situ in the deposition system prior to air-exposure and loading into the XPS instrument. The authors show that thin, 1.5–6.0 nm, Al capping layers provide effective barriers to oxidation and contamination of TiN surfaces, thus allowing nondestructive acquisition of high-resolution core-level spectra representative of clean samples, and, hence, correct bonding assignments. The Ti 2p and N 1s satellite features, which are sensitive to ion bombardment, exhibit high intensities comparable to those obtained from single-crystal TiN/MgO(001) films grown and analyzed in-situ in a UHV XPS system and there is no indication of Al/TiN interfacial reactions. XPS-determined N/Ti concentrations acquired from Al/TiN samples agree very well with Rutherford backscattering and elastic recoil analysis results while ion-etched air-exposed samples exhibit strong N loss due to preferential resputtering. The intensities and shapes of the Ti 2p and N 1s core level signals from Al/TiN/Si(001) samples do not change following long-term (up to 70 days) exposure to ambient conditions, indicating that the thin Al capping layers provide stable surface passivation without spallation.

36 MATERIALS SCIENCE↗

Cosmogenic 10 Be in pyroxene: laboratory progress, production rate systematics, and application of the 10 Be– 3 He nuclide pair in the Antarctic Dry Valleys

Here, we present cosmogenic- 10 Be and cosmogenic- 3 He data from Ferrar dolerite pyroxenes in surficial rock samples and a bedrock core from the McMurdo Dry Valleys, Antarctica, with the goal of refining the laboratory methods for extracting beryllium from pyroxene, further estimating the 10 Be production rate in pyroxene and demonstrating the applicability of 10 Be– 3 He in mafic rock. The ability to routinely measure cosmogenic 10 Be in pyroxene will open new opportunities for quantifying exposure durations and Earth surface processes in mafic rocks. We describe scalable laboratory methods for isolating beryllium from pyroxene, which include a simple hydrofluoric acid leaching procedure for removing meteoric 10 Be and the addition of a pH 8 precipitation step to reduce the cation load prior to ion exchange chromatography. 10 Be measurements in pyroxene from the surface samples have apparent 3 He exposure ages of 1–6 Myr. We estimate a spallation production rate for 10 Be in pyroxene, referenced to 3 He, of 3.6 ± 0.2 atoms g –1 yr –1 . 10 Be and 3 He measurements in the bedrock core yield initial estimates for parameters associated with 10 Be and 3 He production by negative-muon capture ($f_{10}^{*}$ = 0.00183 and $f_{3}^{*}f_{C}f_{D}$ = 0.00337). Next, we demonstrate that the 10 Be– 3 He pair in pyroxene can be used to simultaneously resolve erosion rates and exposure ages, finding that the measured cosmogenic-nuclide concentrations in our surface samples are best explained by 2–8 Myr of exposure at erosion rates of 0–35 cm Myr –1 . Finally, given the low 10 Be in our laboratory blanks (average of 5.7 × 10 3 atoms), the reported measurement precision, and our estimated production rate, it should be possible to measure 2 g samples with 10 Be concentrations of 6 × 10 4 and 1.5 × 10 4 atoms g –1 with 5 % and 15 % uncertainty, respectively. With this level of precision, Last Glacial Maximum to Late Holocene surfaces can now be dated with 10 Be in pyroxene. Application of 10 Be in pyroxene, alone or in combination with 3 He, will expand possibilities for investigating glacial histories and landscape change in mafic rock.

58 GEOSCIENCES↗

Small CaH{sub 2} Moderated Thermal Reactor for Surface Power Generation I: Conceptual Design

National Aeronautics and Space Administration (NASA) published 'Journey to Mars' on October 8, 2015, stating their plan to send human to Mars for exploration, scientific research and colonization of Mars. Mission time on Martian surface is supposed to be ∼1 year, therefore, a surface power generation system is required for human habitation on Mars. Even though solar power and chemical battery have been used for the past missions, the former cannot generate power during month-scale dust storm on Mars, and the latter is not reliable for long-term use under a cold environment. On the other hand, nuclear power provides stable power even on Mars surface and, since kilowatt class power system is required in the planned mission, a fission power system is better than a radioisotope battery. An 8-year operation is required for the Mars surface power generation system with electrical power of 10 to 100 kWe and specific power of >5 We/kg, which means the system weight needs to be below 2000 kg in the case of 10 to 100 kWe system. In the current study, stretch goals for surface fission power system were set as follows: electric power of 20 kWe and total system weight below 1000 kg. In addition, nuclear security and critical safety are essential features for the surface fission power system considering launch accidents. A sufficient level of nuclear security is needed to prevent terrorists from obtaining nuclear materials even the reactor falls in a geographic area dominated by terrorists. From this view point, it is preferable not to use highly enriched uranium with a space reactor that can be diverted to nuclear weapons. Also, a nuclear reactor core should not reach criticality during a launch accident where the reactor core can be compressed by collision with sea or land. A novel concept of surface power reactor system that satisfies the above requirements is proposed in the current study. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Interfacial Hydrogen-Bond Dynamics in Transition Metal Compounds

Understanding how water behaves when confined within atomic layers of active transition-metal carbides, nitrides, and carbonitrides is essential for uncovering the fundamental principles needed to engineer solid–liquid interfaces at the atomic scale. Yet, how lattice element chemistry and surface termination groups collectively regulate the structure and mobility of such interlayer water remains poorly understood. Here, we present a composition-controlled investigation of interlayer water dynamics in layered transition-metal nitride, carbide, and carbonitride systems using a systematic integration of quasi-elastic neutron scattering (QENS), ab initio molecular dynamics (AIMD) simulations, and density functional theory (DFT) calculations. QENS measurements show that nitride-rich systems host mobile, translationally diffusing water with thermally activated self-diffusion coefficients on the order of 10 –10 m 2 s –1 , whereas mixed C/N lattices confine water to localized, nontranslational motion that is insensitive to temperature. AIMD and DFT reveal that lattice C/N chemistry and surface functional group composition reshape the first hydration layer by modulating the surface electronic structure and termination-dependent hydrogen-bond networks, leading to pronounced differences in water ordering and thermal resilience. On the other hand, fully carbide systems exhibit intermediate behavior, highlighting that water mobility is not primarily controlled by the hydration level alone but by the coupling between lattice composition and surface chemistry. Overall, this study establishes how surface chemistry and lattice composition jointly control interfacial hydrogen bond dynamics, offering a mechanistic framework for designing transition-metal layered materials with tailored interfacial transport properties.

Hydration↗

Molecular Basis for Microbial Adhesion and Geochemical Surface Reactions: A Study Across Scales

Computational chemistry was used to help provide a molecular level description of the interactions of Gram-negative microbial membranes with subsurface materials. The goal is to develop a better understanding of the molecular processes involved in microbial metal binding, microbial attachment to mineral surfaces, and, eventually, oxidation/reduction reactions (electron transfer) that can occur at these surfaces and are mediated by the bacterial exterior surface. The project focused on the interaction of the outer microbial membrane, which is dominated by an exterior lipopolysaccharide (LPS) portion, of Pseudomonas aeruginosa with the mineral goethite and with solvated ions in the environment. This was originally a collaborative project with T.P. Straatsma and B. Lowery of the Pacific Northwest National Laboratory. The University of Alabama effort used electronic structure calculations to predict the molecular behavior of ions in solution and the behavior of the sugars which form a critical part of the LPS. The interactions of the sugars with metal ions are expected to dominate much of the microscopic structure and transport phenomena in the LPS. This work, in combination with the molecular dynamics simulations of Straatsma and the experimental electrochemistry and microscopy measurements of Lowry, both at PNNL, is providing new insights into the detailed molecular behavior of these membranes in geochemical environments. The effort at The University of Alabama has three components: solvation energies and structures of ions in solution, prediction of the acidity of the critical groups in the sugars in the LPS, and binding of metal ions to the sugar anions. An important aspect of the structure of the LPS membrane as well as ion transport in the LPS is the ability of the sugar side groups such as the carboxylic acids and the phosphates to bind positively charged ions. We are studying the acidity of the acidic side groups in order to better understand the ability of these groups to bind metal ions. We need to understand the solvation properties of the metal ions in solution and their ability to bind not only to the sugars but to proteins and to other anions. Our goal is then to be able to predict the ability of the side groups to bind metal ions. One result from the earlier molecular dynamics simulations is the exclusion of water from the inner hydrophobic part of the membrane. We thus need to investigate the binding of the cations in media with different dielectric constants.

58 GEOSCIENCES↗