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At least 451 records · Page 25

Actinide chemistry in Allende Ca-Al-rich inclusions

Fission track radiography is used to investigate the U and Th microscale distribution in a set of Allende-meteorite Ca-Al-rich inclusions. In the Type B inclusions, the major phases melilite and fassaite are important actinide host phases, and on the rims of Type B inclusions and throughout all other inclusions studied, perovskite is the dominant actinide host phase. Results suggest that neither alteration nor loss or gain of an actinide-rich phase appears to have been an important Th/U fractionation mechanism, and that volatility differences may be the dominant factor. Th/U and rare earth element abundance patterns for the spinel and perovskite rim suggest rim formation by volatilization of interior material, and within the constraints of the brief time scale required for this heating, several mechanisms for spinel-perovskite rim formation are possible.

Murrell, M. T.↗

Growth of Au on Ni(110): a BFS Modelling of Surface Alloy Phases

Recent experiments using scanning tunneling microscopy show evidence for the formation of surface alloys of otherwise immiscible metals. Such is the case for Au deposited in Ni(11), where experiments by Pleth Nielsen et al. indicate that at low Au coverage (less than 0.5 ML), Au atoms replace Ni atoms in the surface layer forming a surface alloy while the Ni atoms form islands on the surface. In this work, we present results of a theoretical modeling of this phenomenon using the recently developed BFS method for alloys. We provide results of an extensive analysis of the growth process which strongly support the conclusions drawn from the experiment; at very low coverages, there is tendency for dimer formation on the overlayer, which later exchange positions with Ni atoms in the surface layer, thus accounting for the large number of substituted dimers. Ni island formations as well as other alternative short range order patterns are discussed.

Bozzolo, Guillermo↗

En route noise levels from propfan test assessment airplane

The en route noise test was designed to characterize propagation of propfan noise from cruise altitudes to the ground. In-flight measurements of propfan source levels and directional patterns were made by a chase plane flying in formation with the propfan test assessment (PTA) airplane. Ground noise measurements were taken during repeated flights over a distributed microphone array. The microphone array on the ground was used to provide ensemble-averaged estimates of mean flyover noise levels, establish confidence limits for those means, and measure propagation-induced noise variability. Even for identical nominal cruise conditions, peak sound levels for individual overflights varied substantially about the average, particularly when overflights were performed on different days. Large day-to-day variations in peak level measurements appeared to be caused by large day-to-day differences in propagation conditions and tended to obscure small variations arising from operating conditions. A parametric evaluation of the sensitivity of this prediction method to weather measurement and source level uncertainties was also performed. In general, predictions showed good agreement with measurements. However, the method was unable to predict short-term variability of ensemble-averaged data within individual overflights. Although variations in absorption appear to be the dominant factor in variations of peak sound levels recorded on the ground, accurate predictions of those levels require that a complete description of operational conditions be taken into account. The comprehensive and integrated methods presented in this paper have adequately predicted ground-measured sound levels. On average, peak sound levels were predicted within 3 dB for each of the three different cruise conditions.

Garber, Donald P.↗

Aeolian Processes and Features on Venus

Aeolian features on Venus include dune fields, eroded hills (yardangs), wind streaks, (miniature dunes of 10 to 30 cm wavelength). Although and possibly microdunes (in repetitive imaging by Magellan did show changes in the appearance of the surface, these changes are attributed to radar artifacts as a consequence of look direction rather than to physical changes of the surface. Nonetheless, measurements of wind speeds near the surface of Venus and wind tunnel simulations suggest that aeolian processes could be currently active on Venus. Study of radar images of terrestrial analogs shows that radar wavelength, polarization, and viewing geometry, including look direction and incidence angle, all influence the detection of dunes, yardangs, and wind streaks. For best detection, dune crests and yardangs should be oriented perpendicular to look direction. Longer wavelength systems can penetrate sand sheets a meter or more thick, rendering them invisible, especially in arid regions. For wind streaks to be visible, there must be a contrast in surface properties between the streak and the background on which it occurs. Nonetheless, more than 6000 aeolian features have been found on Magellan images of Venus, the most common of which are various wind streaks. Mapping wind streak orientations enables near-surface wind patterns to be inferred for the time of their formation. Type P streaks are associated with parabolic ejecta crater deposits and are considered to have formed in association with the impact event. Most Type P streaks are oriented westward, indicative of the upper altitude superrotation winds of Venus. Non Type P streaks have occurrences and orientations consistent with Hadley circulation. Some streaks in the southern hemisphere are oriented to the northeast, suggesting a Coriolis effect.

Greeley, Ronald↗

The QuakeSim Project: Numerical Simulations for Active Tectonic Processes

In order to develop a solid earth science framework for understanding and studying of active tectonic and earthquake processes, this task develops simulation and analysis tools to study the physics of earthquakes using state-of-the art modeling, data manipulation, and pattern recognition technologies. We develop clearly defined accessible data formats and code protocols as inputs to the simulations. these are adapted to high-performance computers because the solid earth system is extremely complex and nonlinear resulting in computationally intensive problems with millions of unknowns. With these tools it will be possible to construct the more complex models and simulations necessary to develop hazard assessment systems critical for reducing future losses from major earthquakes.

tectonic processes↗

Classifying Multi-Model Wheat Yield Impact Response Surfaces Showing Sensitivity to Temperature and Precipitation Change

Crop growth simulation models can differ greatly in their treatment of key processes and hence in their response to environmental conditions. Here, we used an ensemble of 26 process-based wheat models applied at sites across a European transect to compare their sensitivity to changes in temperature (minus 2 to plus 9 degrees Centigrade) and precipitation (minus 50 to plus 50 percent). Model results were analysed by plotting them as impact response surfaces (IRSs), classifying the IRS patterns of individual model simulations, describing these classes and analysing factors that may explain the major differences in model responses. The model ensemble was used to simulate yields of winter and spring wheat at four sites in Finland, Germany and Spain. Results were plotted as IRSs that show changes in yields relative to the baseline with respect to temperature and precipitation. IRSs of 30-year means and selected extreme years were classified using two approaches describing their pattern. The expert diagnostic approach (EDA) combines two aspects of IRS patterns: location of the maximum yield (nine classes) and strength of the yield response with respect to climate (four classes), resulting in a total of 36 combined classes defined using criteria pre-specified by experts. The statistical diagnostic approach (SDA) groups IRSs by comparing their pattern and magnitude, without attempting to interpret these features. It applies a hierarchical clustering method, grouping response patterns using a distance metric that combines the spatial correlation and Euclidian distance between IRS pairs. The two approaches were used to investigate whether different patterns of yield response could be related to different properties of the crop models, specifically their genealogy, calibration and process description. Although no single model property across a large model ensemble was found to explain the integrated yield response to temperature and precipitation perturbations, the application of the EDA and SDA approaches revealed their capability to distinguish: (i) stronger yield responses to precipitation for winter wheat than spring wheat; (ii) differing strengths of response to climate changes for years with anomalous weather conditions compared to period-average conditions; (iii) the influence of site conditions on yield patterns; (iv) similarities in IRS patterns among models with related genealogy; (v) similarities in IRS patterns for models with simpler process descriptions of root growth and water uptake compared to those with more complex descriptions; and (vi) a closer correspondence of IRS patterns in models using partitioning schemes to represent yield formation than in those using a harvest index. Such results can inform future crop modelling studies that seek to exploit the diversity of multi-model ensembles, by distinguishing ensemble members that span a wide range of responses as well as those that display implausible behaviour or strong mutual similarities.

Classification; Climate change; Crop model; Ensemb↗

Plains tectonism on Venus: Inferences from canali longitudinal profiles

Canali-type channels on Venus show inverted profile segments; that is, large portions of the channels trend uphill. The original gradients for these channels were not horizontal, but must have progressively trended downhill. Therefore, undulation patterns imposed on the profiles have to be the result of tectonism occurring since channel formation. This implies that some of the uppermost geological units of the plains, which are coincident with canali, experienced significant postemplacement tectonic deformation. The pattern of deformation is hierarchical. Within observational limits, at least two scales of deformation are indicated. The longer scale deformation (thousands of kilometers) corresponds to large-scale basins; the shorter scale deformation (hundreds of kilometers) corresponds to ridge belts or to small-scale domes/basins. The latter features, at scales up to a few hundred kilometers, extensively deform some plain areas. Although not appearing in the topographic profiles because of resolution limitations, deformation scales of tens of kilometers or less, which mostly reflect wrinkle ridges, also overlap the longer deformation scales. The channels probably formed relatively quickly in comparison to the time scale of deformation. Canali formation is closely related to the genesis of plains, and canali profile deformation reflects tectonic processes operating at multiple scales. The lower limit rates of large-scale tectonic warping are comparable to epeirogenetic deformation rates for Earth's intraplate continental interiors.

Komatsu, Goro↗

Basic Research of Intrinsic Tamper indication Markings and Patterns defined by Pulsed Laser Irradiation

With our previous research, it was found that surface asperities or roughness must be present to create periodic surface structures upon laser exposure. In particular, an initial rough surface morphology (such as that found with a machined surface) provides multiple sites for light scattering, which underlies the formation of periodic ripple morphologies. Light scattering from a random surface creates patterns of periodic structures (with complex orientations) that could be used as intrinsic markings for tagging materials and equipment. Despite these initial findings, the fundamental mechanisms that give rise to periodic surface structures and their characteristic shapes were not identified in prior research.

36 MATERIALS SCIENCE↗

Supply sunspots and shadows: Business siting patterns and inequitable rooftop solar adoption in the United States

Entrepreneurs in certain industries tend to locate new businesses in relatively affluent areas. Preferences to site businesses in affluent areas can reduce low-income household access to certain products. Some argue that business siting patterns could explain inequitable consumption patterns, though such causal claims are often empirically weak. Here, we explore whether business siting patterns partly explain inequitable adoption of rooftop solar photovoltaics in California. We show that solar business formation drives an immediate and sustained increase in local solar adoption, including in low-income areas. However, solar business siting patterns have only weak impacts on solar adoption equity. The data show how solar businesses headquartered in low-income areas nonetheless install solar for relatively affluent customers. Customer-level adoption inequity partly offsets the potential equity gains of siting more businesses in low-income areas. We discuss how the emergent nature and unique business model of rooftop solar help explain these nuanced results.

14 SOLAR ENERGY↗

The IR properties of ringed galaxies and the IRAS database

Our study of the Infrared Astronomy Satellite (IRAS) properties of ringed galaxies has been largely successful. We have identified what we think is the probable cause of the differences in the IRAS properties among non-interacting barred galaxies as the pattern speed of the bar. The key to identifying this parameter has been our focusing the study on outer-ringed galaxies where we know precisely what is present in the central regions (from available BVI CCD images in our library of images). The theory is that outer rings, through their morphology and other characteristics, can be identified with the outer Lindblad resonance, one of the major resonances in galaxy structure. Using a library of n-body simulations for comparison, we can reliably infer both low and high pattern speed galaxies from the appearance of outer rings and the existence of other ring features. It is clear that in some barred galaxies, the bar pattern speed is high enough to avoid an inner Lindblad resonance, hence such objects do not contain nuclear or circumnuclear star formation. The IRAS observations are most sensitive to nuclear star formation in early-type barred galaxies, and will thus select those barred galaxies where the pattern speed is low enough to allow an inner Lindblad resonance to exist. High pattern speed barred galaxies therefore weaken the correlation between bars and infrared excess. This finding helps to reconcile the inconsistent results found between different studies on the correlation between bars and far-IR emission.

Buta, Ronald J.↗

Understanding and Leveraging the I/O Patterns of Emerging Machine Learning Analytics

The scientific community is currently experiencing unprecedented amounts of data generated by cutting-edge science facilities. Soon facilities will be producing up to 1 PB/s which will force scientist to use more autonomous techniques to learn from the data. The adoption of machine learning methods, like deep learning techniques, in large-scale workflows comes with a shift in the workflow’s computational and I/O patterns. These changes often include iterative processes and model architecture searches, in which datasets are analyzed multiple times in different formats with different model configurations in order to find accurate, reliable and efficient learning models. This shift in behavior brings changes in I/O patterns at the application level as well at the system level. These changes also bring new challenges for the HPC I/O teams, since these patterns contain more complex I/O workloads. In this paper we discuss the I/O patterns experienced by emerging analytical codes that rely on machine learning algorithms and highlight the challenges in designing efficient I/O transfers for such workflows. We comment on how to leverage the data access patterns in order to fetch in a more efficient way the required input data in the format and order given by the needs of the application and how to optimize the data path between collaborative processes. We will motivate our work and show performance gains with a study case of medical applications.

Gainaru, Ana↗

Geometry-independent microstructure optimization for electron beam powder bed fusion additive manufacturing

The ability to manipulate the formation of microstructure is one of the potential advantages of additive manufacturing. Yet, the additive manufacturing process is riddled with complex interactions between processing parameters, geometry, and spot melting sequence which makes the task of controlling microstructure challenging. This paper proposes a method to solve the microstructure texture optimization problem by leveraging established optimization techniques and increasingly fast and accurate analytical heat transfer models. Respectively, we apply two different optimization algorithms, genetic algorithm and concurrent greedy line search, in order to induce arbitrarily shaped microstructure regions and we use a heat transfer model to evaluate the fitness of solutions in an iterative approach that is far more efficient than pure trial and error. The objective of the optimization algorithm is to control local thermal conditions – hence microstructure formation – during the melting process by manipulating the order and the dwell time of all the points of the infill pattern sequence. We then analyze the optimized sequence to determine important path characteristics that affect the microstructure formation. Through examples, we show that relative order and frequency, as measured by weighted average and variance of spot order, are important factors that influence the final characteristics.

36 MATERIALS SCIENCE↗

Liquid Piston with Spray Cooling Near-Isothermal Compressor

The goal of this project was to prototype and characterize the performance of a liquid-piston spray-cooled gas compressor. The working principle of the compressor enables optimized high-efficiency operation over a very wide range of operating conditions, unlike conventional compressors that are optimized for a narrow range of operating conditions. The compressor technology is suitable for many applications, such as gas pipeline transport, gas storage, and commercial and residential heat pumps. Both physical testing and computational fluid dynamics (CFD) modeling of the processes using the Oak Ridge National Laboratory high-performance computing center were completed. The experimental and CFD studies focused on a near-isothermal liquid-piston compressor (LPC) that uses propylene glycol to compress CO 2 . The first prototype demonstrated isothermal operation during several sequentially executed cycles of CO 2 compression and raised the temperature of the compressed CO 2 by only 2 K, compared with approximately 6 K when the gas was compressed non-isothermally. Isothermal operation was demonstrated at CO 2 flow rates of up to 2 L/min. The second prototype was designed with two compression chambers to allow continuous flow of high-pressure CO 2 . However, the design of the valve train to direct flow between the compression chambers was not sufficient to allow demonstration of CO 2 compression. Numerical simulations of the LPC in which the compression chamber was filled with propylene glycol injected from the bottom inlet were performed using large eddy simulation (LES) with the wall-adapting local eddy-viscosity subgrid-scale model coupled with the multiphase volume of fluid (VOF) model to simulate the transient interface between gas and liquid and to capture the heat and mass transfers within the compression chamber. In this effort, the effects of boundary conditions applied to the LES-VOF calculations (i.e., no wall, an adiabatic wall, and a wall with a heat flux subscribed) on the overall pressure and temperature of the CO 2 gas as well as the transient evolution of flow and heat transfer within the compression chamber were investigated and are discussed in this report. The LES calculation with no wall showed no dynamical flow patterns, and the volume-averaged temperature of CO 2 increased from 305 to 392.7 K, whereas LES calculations with a constant wall temperature or a wall heat flux had similar increases of CO 2 temperatures. The results of the LES simulation using a wall heat flux showed different stages in the compression process and revealed dynamical formation and interaction of CO 2 gas layers and circulation flow patterns within the chamber that contributed to the overall heat transfer between the solid wall, gas, and liquid surface in the compressor. Though an industrial partnership for commercializing the compressor was not secured, the technology was attractive for an industrial partner to use in two research proposals in response to US Department of Energy funding opportunity announcements.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Navier-Stokes flow field analysis of compressible flow in a high pressure safety relief valve

The objective of this study is to investigate the complex three-dimensional flowfield of an oxygen safety pressure relieve valve during an incident, with a computational fluid dynamic (CFD) analysis. Specifically, the analysis will provide a flow pattern that would lead to the expansion of the eventual erosion pattern of the hardware, so as to combine it with other findings to piece together a most likely scenario for the investigation. The CFD model is a pressure based solver. An adaptive upwind difference scheme is employed for the spatial discretization, and a predictor, multiple corrector method is used for the velocity-pressure coupling. The computational result indicated vortices formation near the opening of the valve which matched the erosion pattern of the damaged hardware.

Vu, Bruce↗

Selective Plasma Deposition of Fluorocarbon Films on SAMs

A dry plasma process has been demonstrated to be useful for the selective modification of self-assembled monolayers (SAMs) of alkanethiolates. These SAMs are used, during the fabrication of semiconductor electronic devices, as etch masks on gold layers that are destined to be patterned and incorporated into the devices. The selective modification involves the formation of fluorocarbon films that render the SAMs more effective in protecting the masked areas of the gold against etching by a potassium iodide (KI) solution. This modification can be utilized, not only in the fabrication of single electronic devices but also in the fabrication of integrated circuits, microelectromechanical systems, and circuit boards. In the steps that precede the dry plasma process, a silicon mold in the desired pattern is fabricated by standard photolithographic techniques. A stamp is then made by casting polydimethylsiloxane (commonly known as silicone rubber) in the mold. The stamp is coated with an alkanethiol solution, then the stamp is pressed on the gold layer of a device to be fabricated in order to deposit the alkanethiol to form an alkanethiolate SAM in the desired pattern (see figure). Next, the workpiece is exposed to a radio-frequency plasma generated from a mixture of CF4 and H2 gases. After this plasma treatment, the SAM is found to be modified, while the exposed areas of gold remain unchanged. This dry plasma process offers the potential for forming masks superior to those formed in a prior wet etching process. Among the advantages over the wet etching process are greater selectivity, fewer pin holes in the masks, and less nonuniformity of the masks. The fluorocarbon films formed in this way may also be useful as intermediate layers for subsequent fabrication steps and as dielectric layers to be incorporated into finished products.

Crain, Mark M., III↗

Y-shaped tricatenar azobenzenes – functional liquid crystals with synclinic–anticlinic transitions and spontaneous helix formation

A series of achiral tricatenar rod-like molecules with a 3,5-disubstitution pattern at one end and a single alkyl chain at the other end of a rod-like azobenzene derived core is reported. Depending on temperature and alkyl chain length, these Y-shaped compounds self-assemble into different types of liquid crystalline (LC) phases, ranging from non-tilted and synclinic tilted hexatic, via non-tilted and anticlinic tilted smectic and bicontinuous cubic LC phases, to a spontaneous mirror symmetry broken isotropic liquid (Iso 1 [*]) or a related achiral liquid network phase (Iso 1 ). An additional tilted, but uniaxial smectic phase was observed at the transition between anticlinic and synclinic tilt correlation and was investigated by soft resonant X-ray scattering with respect to possible helix formation. This work provides a new concept for the design of technological interesting azobenzene based LC materials with anticlinic tilted smectic C phases (SmC a ) and with azobenzene units organized in the long range or short range helical network structures of bicontinuous cubic and chiral isotropic liquid phases, respectively. Core fluorination removes all lamellar phases, leaving only the cubic phase over wide temperature ranges, even at ambient temperature.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Numerical Study of Interaction of a Vortical Density Inhomogeneity with Shock and Expansion Waves

We studied the interaction of a vortical density inhomogeneity (VDI) with shock and expansion waves. We call the VDI the region of concentrated vorticity (vortex) with a density different from that of ambiance. Non-parallel directions of the density gradient normal to the VDI surface and the pressure gradient across a shock wave results in an additional vorticity. The roll-up of the initial round VDI towards a non-symmetrical shape is studied numerically. Numerical modeling of this interaction is performed by a 2-D Euler code. The use of an adaptive unstructured numerical grid makes it possible to obtain high accuracy and capture regions of induced vorticity with a moderate overall number of mesh points. For the validation of the code, the computational results are compared with available experimental results and good agreement is obtained. The interaction of the VDI with a propagating shock wave is studied for a range of initial and induced circulations and obtained flow patterns are presented. The splitting of the VDI develops into the formation of a non-symmetrical vortex pair and not in a set of vortices. A method for the analytical computation of an overall induced circulation Gamma(sub 1) as a result of the interaction of a moving VDI with a number of waves is proposed. Simplified, approximated, expressions for Gamma(sub 1) are derived and their accuracy is discussed. The splitting of the VDI passing through the Prandtl-Meyer expansion wave is studied numerically. The obtained VDI patterns are compared to those for the interaction of the VDI with a propagating shock wave for the same values of initial and induced circulations. These patterns have similar shapes for corresponding time moments.

Povitsky, A.↗

Cryptoblemes: A New Discovery with Major Economic Implications and Profound Changes to the Geologic Paradigm

Cryptoblemes are subtle impact shock signatures imprinted by cosmic debris on the crustal surfaces of lunar planetary bodes. These signatures constitute a complex cumulative overprinting of topographic, structural geophysical, and tectonic patterns that have a conspicuous radial centric multiringed symmetry. The geometry and distribution of cryptoblemes on Earth is comparable to the size and density of impact features on lunar planetary surfaces. Analysis of satellite imagery, sea-floor sonar, side-looking radar and aerial photographs of specific sites reveals new criteria for the identification and confirmation of impact-shock signatures. These criteria include joint and foliation patterns with asbestiform minerals, ribbon-quartz, spheroidal weathering, domal exfoliation, pencil shale, and shock spheres, which may originate from hydrocavitation of water-saturated sedimentary rocks. Cryptoblemes may also be associated with breccia pipes, sinkholes, buttes, mesas, and bogs, high-Rn anomalies, nodular concentrations, and earthquake epicenters. Major implications of cryptobleme identification include exploratory targeting of hydrocarbon and mineral deposits and the explanation of their origins. Analysis of known mineral deposits, structural traps and sedimentary basins show a direct correlation with cryptobleme patterns. Significant geologic paradigm shifts related to cryptoblemes include mountain building processes, structural orogenies, induced volcanism, earthquake origins, hydrocarbon diagenesis, formation mineral deposits, continental rifting, and plate movements, magnetic overprinting and local regional, and global geologic extinction and speciation patterns. Two figures provide a comparison between a multiring impact overprint in water and multiring cryptobleme in the U.S. basin range. (Additional information is contained in the original document).

Windolph, J., Jr.↗