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At least 379 records · Page 21

Consistency and reproducibility in atomic layer deposition

Atomic layer deposition (ALD) is a thin film synthesis technique that can provide exquisite accuracy and precision in film thickness and composition even on complex, large area substrates. Based on self-limiting surface chemistry, ALD can be insensitive to process conditions and reactor designs, allowing an ALD process developed in one lab to be easily reproduced in other labs. In practice, however, ALD is sometimes difficult to reproduce or replicate, and the results can vary substantially between ALD reactors and between labs. This is exemplified by large deviations in reports on the growth of, e.g., Al2O3, FeOx, and TiO2 given the same precursors under similar conditions. Furthermore, the problem of irreproducibility seems to be growing as ALD is adopted by more researchers and integrated into new applications. In this article, the authors highlight some of the major sources of variations and errors and common misconceptions related to ALD. In particular, the authors focus on issues related to precursors, substrates, and deposition tools. The authors illustrate these problems through examples from the literature, and they present results from numerical simulations that describe how nonidealities would manifest in thickness profiles in a typical cross-flow reactor. They also describe how reproducibility in ALD is linked to consistent experimental practice and reporting between labs. The authors’ hope is that by educating newcomers to ALD and advocating for consistent reporting of deposition conditions, they can minimize irreproducibility and enable ALD practitioners to realize the full potential afforded by self-limiting surface chemistry.

36 MATERIALS SCIENCE↗

Preliminary Study on Fine-Grained Power and Energy Measurements on Grace Hopper GH200 with Open-Source Performance Tools

The increasing adoption of tightly integrated, heterogeneous architectures, combined with the slowdown of Moore’s law, has made application power and energy-driven optimizations critical to efficiently use high-performance computing systems. This paper introduces a newly developed open-source toolkit that seamlessly integrates the Linux real-time hardware monitoring program hwmon with the Performance Application Programming Interface and the Score-P performance measurement system, thereby enabling fine-grained power and energy measurements for high-performance computing applications. Our primary target platform is the Wombat test bed, which is a system based on the NVIDIA GH200 superchip. The toolkit can capture transient power peaks with high temporal resolution (50 ms) and, thanks to Score-P integration, can map power metrics to specific code regions, thereby providing actionable information on power-intensive operations and inefficiencies. The toolkit also provides a holistic view of both the power and the energy consumption of the entire GH200 superchip by covering all major components: the Grace CPU, the Hopper GPU, and the I/O subsystem. Experiments that use Locally Self-consistent Multiple Scattering, which is an application for first-principles calculations of materials developed at Oak Ridge National Laboratory, have demonstrated the tool’s ability to identify transient power spikes and uncover opportunities for energy-aware optimizations. Additionally, we introduce a Python-based utility for converting Open Trace Format 2 traces to Parquet format, thus enabling advanced data analysis for numerical integration methods applied to power data for accurate energy profiling.

Hernandez Mendoza, Oscar [ORNL] (ORCID:00000002538↗

Confocal Raman Microscopy as a Probe of Material Deconstruction in Processed Low-Density Polyethylene Particles

Confocal Raman microscopy was applied to detect structural change within individual particles of low-density polyethylene (LDPE) following chemical and electrochemical processing steps that aimed to facilitate material decomposition. A high numerical aperture (NA) oil-immersion objective enabled depth-profiling through the near surface region (20 μm–40 μm) of irregularly shaped particles with an axial spatial resolution < 2 μm estimated from measurements of instrument detection efficiency profiles. Changes in vibrational bands sensitive to polyethylene crystallinity were evident following treatments and linked to the release of low molecular weight compounds present as additives and products of processing. Effects of processing were probed by monitoring the rise of Raman scattering intensity in vibrational modes associated with polyethylene chains in a zig-zag (trans) conformation near 1128 cm –1 , 1294 cm –1 , and 1418 cm –1 , signaling chain clustering and development of organized, crystalline-like assemblies. Pristine LDPE particles displayed a uniform structure across the near surface region, while particles treated initially with chemical extractant and then further processed displayed increasingly enhanced crystallinity up to the maximum depth probed (40 μm). As a step toward measurements on ensembles of particles, least squares modeling was adapted to derive pure component spectra reflecting crystallinity change within spectral datasets. The work demonstrates high spatial resolution Raman depth-profiling for the characterization of processed polymers using a high NA immersion objective to overcome the limitations of air-objectives often used for confocal Raman microscopy.

Wahiduzzaman, Md. [Department of Chemistry and Bio↗

Deploying Taller Turbines in Complex Terrain: A Hill Flow Study (HilFlowS) Perspective

Terrain-induced flow acceleration is presented for the summertime, peak power season at Lawrence Livermore National Laboratory’s Site 300 for the Hill Flow Study (HilFlowS). HilFlowS, designed as an adjunct field campaign to the Department of Energy’s Second Wind Forecasting Improvement Project (WFIP2), provides wind profile observations at a second location in complex terrain for validating numerical atmospheric model simulations and for better understanding flow behavior over hills for wind power generation. One unique feature of HilFlowS was the inclusion of an undergraduate university student who helped plan and execute the experiment as well as analyze wind data from two remote sensing laser detection and ranging (lidar) instruments deployed along parallel ridgelines. HilFlowS examines the trend of building higher into the atmosphere for the purpose of increasing wind turbine power production and evaluates the wind resource in the Altamont Pass Region of Northern California for a set of wind turbines of differing hub-heights and rotor-disk diameters found in the area. The wind profiles show strongly channeled onshore flow above both hills, enhanced by strong subsidence aloft, which produces a wind maximum (Umax) around z = 10 m and strong negative shear throughout all of the evaluated rotor-disks for much of the summer wind season. Under these conditions, shear becomes more negative with increasing hub-height and increasing rotor-disk size. Rotor-disk equivalent wind speed (Uequiv), a measure of the average wind speed across the entire rotor-disk, is compared to hub-height, rotor length, and rated capacity factor for the set of turbines. Uequiv is most closely related to turbine hub-height and is negatively correlated given the low altitude of Umax. Based on these results, building the largest capacity, large rotor-disk wind turbine at the lowest possible hub-height appears to provide turbines in the Altamont with a fast, near-surface, onshore wind resource during the peak power season.

17 WIND ENERGY↗

Thermal stress analysis of a graded zirconia/metal gas path seal system for aircraft gas turbine engines

A ceramic/metallic aircraft gas turbine outer gas path seal designed to enable improved engine performance is studied. Flexible numerical analysis schemes suitable for the determination of transient temperature profiles and thermal stress distributions in the seal are outlined. An estimation of the stresses to which a test seal is subjected during simulated engine deceleration from sea level takeoff to idle conditions is made. Experimental evidence has indicated that the surface layer of the seal is probably subjected to excessive tensile stresses during cyclic temperature loading. This assertion is supported by the analytical results presented. Brief consideration is given to means of mitigating this adverse stressing.

Taylor, C. M.↗

A study of Stormsat interactive data analysis facility

Stormsat, a third generation geosynchronous satellite intended for the investigation and forecasting of severe local storms, tropical cyclones and other mesoscale phenomena, could be launched as early as 1982. The paper outlines the interactive data processing and analysis functions which must be performed and presents a possible configuration capable of achieving the demonstration forecast objectives. Important features of the data processing system include (1) interactive extraction of wind, temperature and moisture profiles, cloud structure and precipitation from Stormsat data, and (2) numerical and statistical modeling necessary to provide demonstration forecasts.

Hasler, A. F.↗

Flow over plates with suction through porous strips

This paper addresses the steady, incompressible, two-dimensional flow past a flat plate with suction through porous strips. Closed-form solutions for each flow quantity are developed in the context of linearized triple-deck theory using Fourier transforms. To demonstrate the validity of these closed-form solutions, we compare the wall shear stress and pressure coefficients and the streamwise velocity profiles from the linearized theory with those obtained by the numerical integration of both interacting and nonsimilar boundary-layer equations. The agreement between the linearized triple-deck and interacting boundary-layer equations is good; however, the nonsimilar boundary layers, which fail to account for upstream influence, are shown to be in poor agreement with both interacting boundary layers and the linearized triple deck. The linearized closed-form solutions will therefore be very useful in future stability calculations.

Nayfeh, A. H.↗

Numerical simulation of precipitation induced downbursts

Using the Terminal Area Simulation System (TASS), numerical simulations of downburst structure and sensitivity, based on vertical profiles of environmental temperature, humidity and wind velocity observed during the June and August 1982 JAWS project, are presented. Two-dimensional axisymmetric simulations examining downburst evolution, structure and sensitivity, assume a 40-m constant grid size on a 10-km diameter 5-km deep cylindrical domain. The three-dimensional experiment, examining the effects of vertical wind shear and other asymmetrical aspects of the downpour, assumed a 500-m constant horizontal grid size and a 35 x 35 x 18.5-km area. In the downburst primary structure depicted, outflow speeds were found to be sensitive to environmental temperature and humidity, as well as to precipitation radius and intensity. A vortex ring was found to propagate downwards, and maximum outflow winds occur when the vortex ring first reaches the surface.

Proctor, F. H.↗

Airborne lidar measurements of El Chichon stratospheric aerosols, January 1984

A lidar-equipped NASA Electra aircraft was flown in January 1984 between the latitude of 38 and 90 deg N. One of the primary purposes of this mission was to determine the spatial distribution and aerosol characteristics of El Chichon produced stratospheric material. Lidar data from that portion of the flight mission between 38 deg N and 77 deg N is presented. Representative profiles of lidar backscatter ratio, a plot of the integral backscattering function versus latitude, and contours of backscatter mixing ratio versus altitude and latitude are given. In addition, tables containing numerical values of the backscatter ratio and backscattering function versus altitude are applied for each profile. These data clearly show that material produced by the El Chichon eruptions of late March-early April 1982 had spread throughout the latitudes covered by this mission, and that the most massive portion of the material resided north of 55 deg N and was concentrated below 17 km in a layer that peaked at 13 to 15 km. In this latitude region, peak backscatter ratios at a wavelength of 0.6943 microns were approximately 3 and the peak integrated backscattering function was about 15 X 10 to the -4/sr corresponding to a peak optical depth of approximately 0.07. This report presents the results of this mission in a ready-to-use format for atmospheric and climatic studies.

Mccormick, M. Patrick↗

Hard X-ray delays

High time resolution hard X-ray rates with good counting statistics over 5 energy intervals were obtained using a large area balloon-borne scintillation detector during the 27 June 1980 solar flare. The impulsive phase of the flare was comprised of a series of major bursts of several to several tens of seconds long. Superimposed on these longer bursts are numerous smaller approximately 0.5 to 1.0 second spikes. The time profiles for different energies were cross-correlated for the major bursts. The rapid burst decay rates and the simultaneous peaks below 120 keV both indicate a rapid electron energy loss process. Thus, the flux profiles reflect the electron acceleration/injection process. The fast rate data was obtained by a burst memory in 8 and 32 msec resolution over the entire main impulsive phase. These rates will be cross-correlated to look for short time delays and to find rapid fluctuations. However, a cursory examination shows that almost all fluctuations, down to the 5% level, were resolved with 256 msec bins.

Schwartz, Richard A.↗

Doppler lidar wind measurements on the EOS - LAWS

This paper discusses the efforts currently underway to prepare for the deployment of the Laser Atmospheric Wind Sounder (LAWS) instrument on an Earth Observing System (EOS) polar orbiter and on the Space Station. Attention is given to the measurement techiques, which include ground-based and airborne measurements in the atmosphere, and to the scientific and the technical issues being addressed. Global wind profiles obtained with the LAWS will effect dramatic improvement in numerical weather prediction and will be useful in determining the midtroposphere steering currents that are important in hurricane track forecasts. The global wind data will also provide information on large-scale atmospheric circulation and climate dynamics and on biogeochemical and hydrologic cycles.

Fitzjarrald, Daniel E.↗

Mesospheric KHI signatures in reconstructed broadband rocket probe data

In an accepted method of measuring D region electron density with a rocket-borne dc-mode Langmuir probe, the resulting fine-structure signal is modified by a high-pass filter. While this form of data has been successfully used for power spectral analysis, it fails to reveal important spatial domain features without further processing. It is demonstrated that the broadband signal can be recovered by use of a digital filter that corrects for the on-board high-pass filter effects. The D-region broadband structure so recovered for a daytime equatorial flight shows variations in electron density consistent with a model of Kelvin-Helmholtz billows, and not consistent with inertial range turbulence. The isolated regions of irregularity are about 100 m thick near an altitude of 75 km, imbedded in a region with a staircase-structure electron density profile with about 200-m steps. Suggestive similarities to a numerical model of KHI are to undersea observations of KHI-caused microstructure are shown.

Parker, Jay W.↗

Dense stellar cores in merger remnants

We use numerical models which include star formation to analyze the mass profiles of remnants formed by mergers of disk galaxies. During a merger, dissipation in gas and ensuing star formation leave behind a dense stellar core in the remnant. Rather than joining smoothly onto a de Vaucouleurs profile, the starburst population leads to a sharp break in the surface density profile at a few percent of the effective radius. While our results are preliminary, the lack of such signatures in most elliptical galaxies suggests that mergers of gas-rich disk galaxies may not have contributed greatly to the populations of present-day ellipticals.

Mihos, J. Christopher↗

Theory of the lattice Boltzmann Method: Dispersion, Dissipation, Isotropy, Galilean Invariance, and Stability

The generalized hydrodynamics (the wave vector dependence of the transport coefficients) of a generalized lattice Boltzmann equation (LBE) is studied in detail. The generalized lattice Boltzmann equation is constructed in moment space rather than in discrete velocity space. The generalized hydrodynamics of the model is obtained by solving the dispersion equation of the linearized LBE either analytically by using perturbation technique or numerically. The proposed LBE model has a maximum number of adjustable parameters for the given set of discrete velocities. Generalized hydrodynamics characterizes dispersion, dissipation (hyper-viscosities), anisotropy, and lack of Galilean invariance of the model, and can be applied to select the values of the adjustable parameters which optimize the properties of the model. The proposed generalized hydrodynamic analysis also provides some insights into stability and proper initial conditions for LBE simulations. The stability properties of some 2D LBE models are analyzed and compared with each other in the parameter space of the mean streaming velocity and the viscous relaxation time. The procedure described in this work can be applied to analyze other LBE models. As examples, LBE models with various interpolation schemes are analyzed. Numerical results on shear flow with an initially discontinuous velocity profile (shock) with or without a constant streaming velocity are shown to demonstrate the dispersion effects in the LBE model; the results compare favorably with our theoretical analysis. We also show that whereas linear analysis of the LBE evolution operator is equivalent to Chapman-Enskog analysis in the long wave-length limit (wave vector k = 0), it can also provide results for large values of k. Such results are important for the stability and other hydrodynamic properties of the LBE method and cannot be obtained through Chapman-Enskog analysis.

Lallemand, Pierre↗

Field and Geochemical Study of Table Legs Butte and Quaking Aspen Butte, Eastern Snake River Plain, Idaho: An Analog to the Morphology of Small Shield Volcanoes on Mars

Mars Orbiter Laser Altimeter (MOLA) data allows insight to Martian features in great detail, revealing numerous small shields in the Tempe region, consisting of low profiles and a prominent summit caps . Terrestrial examples of this shield morphology are found on the Eastern Snake River Plain (ESRP), Idaho. This plains-style volcanism [2] allows an analog to Martian volcanism based on topographic manifestations of volcanic processes . Recent studies link the slope and morphology of Martian volcanoes to eruptive process and style . The ESRP, a 400km long, 100km wide depression, is host to hundreds of tholeiitic basalt shields, which have low-profiles built up over short eruptive periods of a few months or years . Many of these smaller scale shields (basal diameters rarely exceed 5km) display morphology similar to the volcanoes in the Tempe region of Mars . Morphological variations within these tholeiitic shields are beautifully illustrated in their profiles.

Brady, S. M.↗

Constraints on Early Mars Evolution and Dichotomy Origin from Relaxation Modeling of Dichotomy Boundary in the Ismenius Region

The Martian dichotomy is a global feature separating the northern and southern hemispheres. The 3.5 - 4 Gyr old feature is manifested by a topographic difference of 2-6 km and crustal thickness difference of approx. 15 - 30 km between the two hemispheres. In the Ismenius region, sections of the boundary are characterized by a single scarp with a slope of approx. 20 deg. - 23 deg. and are believed to be among the most well preserved parts of the dichotomy boundary. The origin of the dichotomy is unknown. Endogenic hypotheses do not predict the steep slopes (scarps) of the dichotomy boundary. Exogenic models for forming the northern lowlands by impact cratering, associate the scarps along the dichotomy boundary with craters' rims, but are not globally consistent with the topography and gravity. In order to better understand the origin of the Martian dichotomy, it is necessary to know if the steep scarps along the boundary represent the original shape of the dichotomy. Smrekar et al. presented evidence showing that the boundary scarp in Ismenius is a fault along which the highland crust was down faulted. We test whether the relaxation process could produce faulting along the dichotomy boundary and examine the crustal and mantle conditions that would allow for faulting to occur within 1 Gyr and preserve the long wavelength topography over another 3 Gyr. We approach the problem by a combination of numerical and semi-analytical modeling. We test different viscosity profiles and crustal thicknesses by comparing our modeled magnitude, location and timing of plastic strain and displacements to detailed geologic observations in the Ismenius region.

Guest, A.↗

Estimating moisture transport over oceans using space-based observations

The moisture transport integrated over the depth of the atmosphere (0) is estimated over oceans using satellite data. The transport is the product of the precipitable water and an equivalent velocity (ue), which, by definition, is the depth-averaged wind velocity weighted by humidity. An artificial neural network is employed to construct a relation between the surface wind velocity measured by the spaceborne scatterometer and coincident ue derived using humidity and wind profiles measured by rawinsondes and produced by reanalysis of operational numerical weather prediction (NWP). On the basis of this relation, 0 fields are produced over global tropical and subtropical oceans (40_N- 40_S) at 0.25_ latitude-longitude and twice daily resolutions from August 1999 to December 2003 using surface wind vector from QuikSCAT and precipitable water from the Tropical Rain Measuring Mission. The derived ue were found to capture the major temporal variability when compared with radiosonde measurements. The average error over global oceans, when compared with NWP data, was comparable with the instrument accuracy specification of space-based scatterometers. The global distribution exhibits the known characteristics of, and reveals more detailed variability than in, previous data.

Artificial Neural Network↗

A Numerical Study of Micrometeoroids Entering Titan's Atmosphere

A study using numerical integration techniques has been performed to analyze the temperature profiles of micrometeors entering the atmosphere of Saturn s moon Titan. Due to Titan's low gravity and dense atmosphere, arriving meteoroids experience a significant cushioning effect compared to those entering the Earth's atmosphere. Temperature profiles are presented as a function of time and altitude for a number of different meteoroid sizes and entry velocities, at an entry angle of 45. Titan's micrometeoroids require several minutes to reach peak heating (ranging from 200 to 1200 K), which occurs at an altitude of about 600 km. Gentle heating may allow for gradual evaporation of volatile components over a wide range of altitudes. Computer simulations have been performed using the Cassini/Huygens atmospheric data for Titan. Keywords micrometeoroid Titan atmosphere 1 Introduction On Earth, incoming micrometeoroids (~100 m diameter) are slowed by collisions with air molecules in a relatively compact atmosphere, resulting in extremely rapid deceleration and a short heating pulse, often accompanied by brilliant meteor displays. On Titan, lower gravity leads to an atmospheric scale height that is much larger than on Earth. Thus, deceleration of meteors is less rapid and these particles undergo more gradual heating. This study uses techniques similar to those used for Earth meteoroid studies [1], exchanging Earth s planetary characteristics (e.g., mass and atmospheric profile) for those of Titan. Cassini/Huygens atmospheric data for Titan were obtained from the NASA Planetary Atmospheres Data Node [4]. The objectives of this study were 1) to model atmospheric heating of meteoroids for a range of micrometeor entry velocities for Titan, 2) to determine peak heating temperatures and rates for micrometeoroids entering Titan s atmosphere, and 3) to create a general simulation environment that can be extended to incorporate additional parameters and variables, including different atmospheric, meteoroid and planetary data. The micrometeoroid entry simulations made using Titan atmospheric data assume that, as on Earth, micrometeors are heated by collision with molecules in the atmosphere. Unlike on Earth where heating pulses last a few seconds and reach temperatures sufficient to melt silicates (> 1600 K [1]),

Templeton, M.↗