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Laboratory studies of atomic collision processes of importance in planetary atmospheres

A series of differential cross sections for angular scattering and charge transfer was measured. These studies employ position-sensitive detectors (PSD's) to collect collision products scattered over a wide range of angles; and the research program includes investigation of differential cross sections for total angular scattering, charge transfer, stripping, and other collisions. All of these processes can be studied with the same basic apparatus, but minor modifications in the equipment details and in the data acquisition programs and techniques are required for each individual experiment.

Stebbings, R. F.↗

Laboratory studies of atomic collision processes of importance in planetary atmospheres

Progress in the following research supported under NSG 7386 is reported: (1) measurement of differential cross sections for atomic and molecular collisions relevant to analysis and modeling of data from Pioneer 11, Pioneer 12, Voyager 1, and Voyager 2; (2) analysis of measured differential cross section results to provide scattering data in forms that are easy to apply to atmospheric modeling work; (3) analysis of the data to give basic information on the molecular potentials involved in the scattering process; and (4) development and initial use of apparatus to study dissociative processes in neutral molecules.

Stebbings, R. F.↗

CFD-DEM Modeling of Autothermal Pyrolysis of Corn Stover with a Coupled Particle- and Reactor-Scale Framework

Autothermal operation of fast pyrolysis is an efficient process-intensification technique wherein exothermic oxidation reactions are used to overcome the heat-transfer bottleneck of conventional pyrolysis. The development of accurate, reliable modeling toolsets is imperative to generating a deeper understanding of biomass autothermal pyrolysis systems to support scale-up and industrial deployment. This modeling effort describes the development of single-particle and reactor models which incorporate detailed reaction schemes and simultaneous exothermic oxidation reactions. The particle-scale model was parameterized for corn stover feedstock with particle morphology, density, ash content, and biopolymer composition, all of which impact the emergent conversion characteristics during pyrolysis. Results were then used to parameterize a reactor-scale autothermal pyrolysis model, which was developed using a coarse-grained computational fluid dynamic-discrete element method. The simulation results compared well with experimental results, with the predicted bio-oil, light gas, and biochar yield within 3.0 wt% of the experimental yields. Further analyses were performed to test the influence of equivalence ratio, biomass injection position, and particle size distribution on autothermal pyrolysis. The analysis of the physio-chemical properties of the fluid and solid phase inside the reactor and at the reactor outlet help reveal important process interactions of autothermal pyrolysis.

BIOMASS FUELS,INORGANIC, ORGANIC, PHYSICAL, AND AN↗

The Use of RGPS Kinematic Data to Estimate Nonlinear Sea Ice Motion

In current simulations of the interaction between sea ice and its environment, large significance is placed on the deformation of the sea ice. Sea ice deformation is an important process in determining the sea ice thickness distribution across a wide range of space and time scales. Changes in the sea ice thickness distribution affect energy and mass fluxes between the atmosphere and ocean and also the strength of the ice. While most current ice models assume linear variation in the ice motion field to calculate strain, deformation of sea ice occurs through the opening, closing and shearing of ice along discrete linear features. New numerical models are being developed which explicitly account for discontinuities in ice motion, and the need for requisite data sets for model validation has emerged. Multiple buoy data sets, as well as satellite data, have been used to examine the movement and deformation of sea ice. Generally it has been found that the ice motion field has been represented well by buoy data, as well as satellite data over a broad range of scales. However, the underlying deformation (spatial variation in displacement) as represented by different data sets may vary. For the work presented here, sea ice motion In current simulations of the interaction between sea ice and its environment, large significance is placed on the deformation of the sea ice. Sea ice deformation is an important process in determining the sea ice thickness distribution across a wide range of space and time scales. Changes in the sea ice thickness distribution affect energy and mass fluxes between the atmosphere and ocean and also the strength of the ice. While most current ice models assume linear variation in the ice motion field to calculate strain, deformation of sea ice occurs through the opening, closing and shearing of ice along discrete linear features. New numerical models are being developed which explicitly account for discontinuities in ice motion, and the need for requisite data sets for model validation has emerged. Multiple buoy data sets, as well as satellite data, have been used to examine the movement and deformation of sea ice. Generally it has been found that the ice motion field has been represented well by buoy data, as well as satellite data over a broad range of scales. However, the underlying deformation (spatial variation in displacement) as represented by different data sets may vary. For the work presented here, sea ice motio

Pruis, M.↗

Effect of metamorphism on isolated olivine grains in CO3 chondrites

The presence of a metamorphic sequence in the CO3 chondrite group has been shown previously to result in changes in properties of chondrule silicates. However, the role of isolated olivine grains during metamorphism of these chondrites has not been addressed. Isolated olivine grains in two metamorphosed CO3 chondrites, Lance and Isna, have been investigated in this study in order to assess the compositional properties of isolated olivine grains that may be attributable to metamorphism. Compositional changes in isolated olivines with increasing petrologic subtype are very similar to changes in chondrule olivines in the same chondrites. Olivine compositions from all occurrences (chondrules, isolated grains, and matrix) converge with increasing petrologic subtype. The degree of equilibration of minor elements is qualitatively related to the diffusion rate of each element in olivine, suggesting that diffusion-controlled processes are the most important processes responsible for compositional changes within the metamorphic sequence. The data are consistent with metamorphism taking place in a closed system on the CO3 chondrite parent body. Fe-poor olivine grains in metamorphosed chondrites are characterized by an Fe-rich rim, which is the result of diffusion of Fe into the grains from Fe-rich matrix. In some instances, 'complex', Fe-rich rims have been identified, which appear to have originated as igneous overgrowths and subsequently to have been overprinted by diffusion processes during metamorphism. Processes experienced by CO3 chondrites are more similar to those experienced by the ordinary chondrites than to those encountered by other carbonaceous chondrites, such as the CV3 group.

Jones, Rhian H.↗

Soil Moisture and Snow Cover: Active or Passive Elements of Climate?

A key question in the study of the hydrologic cycle is the extent to which surface effects such as soil moisture and snow cover are simply passive elements or whether they can affect the evolution of climate on seasonal and longer time scales. We have constructed ensembles of predictability studies using the NCAR CCM3 in which we compared the relative roles of initial surface and atmospheric conditions over the central and western U.S. GAPP region in determining the subsequent evolution of soil moisture and of snow cover. We have also made sensitivity studies with exaggerated soil moisture and snow cover anomalies in order to determine the physical processes that may be important. Results from simulations with realistic soil moisture anomalies indicate that internal climate variability may be the strongest factor, with some indication that the initial atmospheric state is also important. The initial state of soil moisture does not appear important, a result that held whether simulations were started in late winter or late spring. Model runs with exaggerated soil moisture reductions (near-desert conditions) showed a much larger effect, with warmer surface temperatures, reduced precipitation, and lower surface pressures; the latter indicating a response of the atmospheric circulation. These results suggest the possibility of a threshold effect in soil moisture, whereby an anomaly must be of a sufficient size before it can have a significant impact on the atmospheric circulation and hence climate. Results from simulations with realistic snow cover anomalies indicate that the time of year can be crucial. When introduced in late winter, these anomalies strongly affected the subsequent evolution of snow cover. When introduced in early winter, however, little or no effect is seen on the subsequent snow cover. Runs with greatly exaggerated initial snow cover indicate that the high reflectivity of snow is the most important process by which snow cover can impact climate, through lower surface temperatures and increased surface pressures. In early winter, the amount of solar radiation is very small and so this albedo, effect is inconsequential while in late winter, with the sun higher in the sky and period of daylight longer, the effect is much stronger. The results to date were obtained for model runs with present-day conditions. We are currently analyzing runs made with projected forcings for the 21st century to see if these results are modified in any way under likely scenarios of future climate change.

Oglesby, Robert J.↗

Soil Moisture and Snow Cover: Active or Passive Elements of Climate?

A key question in the study of the hydrologic cycle is the extent to which surface effects such as soil moisture and snow cover are simply passive elements or whether they can affect the evolution of climate on seasonal and longer time scales. We have constructed ensembles of predictability studies using the NCAR CCM3 in which we compared the relative roles of initial surface and atmospheric conditions over the central and western U.S. in determining the subsequent evolution of soil moisture and of snow cover. We have also made sensitivity studies with exaggerated soil moisture and snow cover anomalies in order to determine the physical processes that may be important. Results from simulations with realistic soil moisture anomalies indicate that internal climate variability may be the strongest factor, with some indication that the initial atmospheric state is also important. The initial state of soil moisture does not appear important, a result that held whether simulations were started in late winter or late spring. Model runs with exaggerated soil moisture reductions (near-desert conditions) showed a much larger effect, with warmer surface temperatures, reduced precipitation, and lower surface pressures; the latter indicating a response of the atmospheric circulation. These results suggest the possibility of a threshold effect in soil moisture, whereby an anomaly must be of a sufficient size before it can have a significant impact on the atmospheric circulation and hence climate. Results from simulations with realistic snow cover anomalies indicate that the time of year can be crucial. When introduced in late winter, these anomalies strongly affected the subsequent evolution of snow cover. When introduced in early winter, however, little or no effect is seen on the subsequent snow cover. Runs with greatly exaggerated initial snow cover indicate that the high reflectively of snow is the most important process by which snow cover cart impact climate, through lower surface temperatures and increased surface pressures. In early winter, the amount of solar radiation is very small and so this albedo effect is inconsequential while in late winter, with the sun higher in the sky and period of daylight longer, the effect is much stronger.

Oglesby, Robert J.↗

A Verification and Validation Approach for COMSOL Multiphysics to Support High Flux Isotope Reactor (HFIR)

Over the last several decades, many reactors have successfully been converted from high enriched uranium (HEU) to low enriched uranium (LEU) fuels in United States in support of its global non-proliferation objectives. Of the reactors slated for conversion, five high-performance research reactors (HPRRs) remain. The high-flux isotope reactor (HFIR) at Oak Ridge National Laboratory (ORNL) is one of the five. Conversion of HFIR requires the qualification of a new fuel. To aid in the conversion process as well as improve safety margins, COMSOL Multiphysics was chosen to support and eventually supplement the steady-state heat-transfer code (SSHTC). In order to use COMSOL as a supplementary tool, i.e. one used for safety basis calculations, the code needs to undergo a verification and validation process. Verification and validation are important processes for the use of any software; however, physics-based solvers have a unique challenge, in that the validation is much more rigorous and its domain is only applicable to the general scope of the problem. This document details the verification and validation of COMOSL for analysis of HFIR. This report is intended for two different users: (1) current and future users of COMSOL for HFIR and (2) for individuals interested in assessing the scope of the validation of COMSOL for HFIR. This report is divided into six sections. The first of which details the process of verification and validation. Section one provides an overview of key concepts from ASME V&V 10, 20, and 40 and how these concepts are used to provide a validation of any multiphysics software. Section two covers the approach needed in order to validate multiphysics software for a given HFIR analysis. Parts three through five split up the key concepts highlighted in section two. The final section provides concluding remarks which demonstrate the scope and limitations of the validation study and how these may be expanded and improved.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Development of a reliable Potting process for Photoconductive Semiconductor Switches (PCSS)

Electrical potting is an important process to protect semiconductor devices from damaging external elements (mechanical stress, moisture, high voltage, etc.) and provides structural support for delicate devices for electrical connectivity to a larger platform. This internship will focus on the development of a universal potting jig for photoconductive semiconductor switches (PCSS). The goal is to design a reliable compression jig that is cross compatible with various PCSS designs that allow for easy potting of devices with a high dielectric breakdown strength material. The challenge with the current potting jig is that the design is only compatible with one style of PCSS and applies uneven pressure that can lead to leakage of potting material. Our approach is to move from a design that applies pressure by binder clip to utilizing a micrometer based compressing jig for a reliable packaging process that can pot a variety of devices without having to have a unique compressing jig for each of style of PCSS. Possible roadblocks with the new design include epoxy leakage into the optical path and misalignment of the electrode – metal contact bond.

42 ENGINEERING↗

Modeled production, oxidation, and transport processes of wetland methane emissions in temperate, boreal, and Arctic regions

Abstract Wetlands are the largest natural source of methane (CH 4 ) to the atmosphere. The eddy covariance method provides robust measurements of net ecosystem exchange of CH 4 , but interpreting its spatiotemporal variations is challenging due to the co‐occurrence of CH 4 production, oxidation, and transport dynamics. Here, we estimate these three processes using a data‐model fusion approach across 25 wetlands in temperate, boreal, and Arctic regions. Our data‐constrained model—iPEACE—reasonably reproduced CH 4 emissions at 19 of the 25 sites with normalized root mean square error of 0.59, correlation coefficient of 0.82, and normalized standard deviation of 0.87. Among the three processes, CH 4 production appeared to be the most important process, followed by oxidation in explaining inter‐site variations in CH 4 emissions. Based on a sensitivity analysis, CH 4 emissions were generally more sensitive to decreased water table than to increased gross primary productivity or soil temperature. For periods with leaf area index (LAI) of ≥20% of its annual peak, plant‐mediated transport appeared to be the major pathway for CH 4 transport. Contributions from ebullition and diffusion were relatively high during low LAI (<20%) periods. The lag time between CH 4 production and CH 4 emissions tended to be short in fen sites (3 ± 2 days) and long in bog sites (13 ± 10 days). Based on a principal component analysis, we found that parameters for CH 4 production, plant‐mediated transport, and diffusion through water explained 77% of the variance in the parameters across the 19 sites, highlighting the importance of these parameters for predicting wetland CH 4 emissions across biomes. These processes and associated parameters for CH 4 emissions among and within the wetlands provide useful insights for interpreting observed net CH 4 fluxes, estimating sensitivities to biophysical variables, and modeling global CH 4 fluxes.

Ueyama, Masahito↗

Low-cost high purity production

Economical process produces high-purity silicon crystals suitable for use in solar cells. Reaction is strongly exothermic and can be initiated at relatively low temperature, making it potentially suitable for development into low-cost commercial process. Important advantages include exothermic character and comparatively low process temperatures. These could lead to significant savings in equipment and energy costs.

Kapur, V. K.↗

First results from analysis of coordinated AVIRIS, TIMS, and ISM (French) data for the Ronda (Spain) and Beni Bousera (Morocco) peridotites

Ultramafic rocks are relatively rare at the Earth's surface but constitute the vast majority of the Earth by volume. Exposures of ultramafic bodies are therefore crucial for deducing many important processes that occur in the Earth's mantle. An important science question regarding the spatial distribution, abundance, and composition of mafic minerals in ultramafic bodies that can be examined with advanced sensor data is the melting process. When a lherzolite melts, clinopyroxene (cpx) melts first and therefore variations in the modal amount of cpx remaining in the mantle are a reflection of the amount of fractional melting that has occurred. Fe goes preferentially into the melt during melting but a 20 percent batch melting (i.e. closed system) acquires less Fe relative to 20 percent fractional melting (i.e. open system). Since the strength and wavelength of diagnostic absorptions is a strong function of Fe content, it is possible to make maps of the variation in Fe:Mg ratios which can be related to the general melting process. Accurate ground-truth information about local mineralogy provides internal calibration and consistency checks. Investigations using imaging spectrometer are very complementary to field studies because advanced sensor data can provide a synoptic view of modal mineralogy and chemical composition whereas field studies focus on detailed characterization of local areas. Two excellent exposures of ultramafic lithologies are being investigated with visible to mid-infrared imaging spectrometer data: the Ronda peridotite near Ronda, Spain and the Beni Bousera ophiolitic fragment in northern Morocco. Although separated by the Alboran Sea, these bodies are thought to be related and represent fertile sub-continental mantle. The Ronda peridotite is predominantly spinel lherzolite but grades into harzburgite and shows considerable variation in major and trace element compositions. Mafic layering and dykes (i.e. olivine gabbro) are also observed. This indicates some sections of the peridotite have experienced greater degrees of partial melting. The Beni Bousera peridotite also contains mafic layers and dykes and grades into harzburgite representing similar fundamental shifts in the bulk chemistry of this ultramafic body probably related to an episode of partial melting. The specific mode of emplacement of these bodies is controversial and important for understanding the tectonic evolution of this region. Our investigations are not necessarily designed to help resolve this controversy. Rather, these exposures provide excellent and unusual examples of fertile mantle which have undergone variable degrees of partial melting.

Mustard, J. F.↗

Quantile regression-enriched event modeling framework for dropout analysis in high-temperature superconductor manufacturing

High-temperature superconductor (HTS) tapes have shown promising characteristics of high critical current, which are prerequisites for applications in high-field magnets. Due to the unstable growth conditions in the HTS manufacturing process, however, the frequent occurrences of dropouts in the critical current impede the consistent performance of HTS tapes. To manufacture HTS tapes with large scale, high yield, and uniform performance, it is essential to develop novel data analysis approaches for modeling the dropouts and identifying the related important process parameters. Conventional methods for modeling recurrent events, such as the point process, require the extraction of events from quality measurements. As the critical current is a continuous process, it may not comprehensively represent the drop patterns by transforming the time-series measurements into a set of events. Here, to solve this issue, we develop a novel quantile regression-enriched event modeling (QREM) framework that integrates the non-homogeneous Poisson process for modeling the occurrence of dropouts and the quantile regression for capturing the drop patterns. By incorporating the feature selection and regularization, the proposed framework identifies a set of significant process parameters that can potentially cause the dropouts of HTS tapes. The proposed method is tested on real HTS tapes produced using an advanced manufacturing process, successfully identifying important parameters that influence dropout events including the substrate temperature and voltage. The results demonstrate that the proposed QREM method outperforms the standard point process in predicting the occurrence of dropouts.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Gravitational spreading of Danu, Freyja and Maxwell Montes, Venus

The potential energy of elevated terrain tends to drive the collapse of the topography. This process of gravitational spreading is likely to be more important on Venus than on Earth because the higher surface temperature weakens the crust. The highest topography on Venus is Ishtar Terra. The high plateau of Lakshmi Planum has an average elevation of 3 km above mean planetary radius, and is surrounded by mountain belts. Freyja, Danu, and Maxwell Montes rise, on average, an additional 3, 0.5, and 5 km above the plateau, respectively. Recent high resolution Magellan radar images of this area, east of approx. 330 deg E, reveal widespread evidence for gravity spreading. Some observational evidence is described for gravity spreading and the implications are discussed in terms of simple mechanical models. Several simple models predict that gravity spreading should be an important process on Venus. One difficulty in using remote observations to infer interior properties is that the observed features may not have formed in response to stresses which are still active. Several causes of surface topography are briefly examined.

Smrekar, Suzanne E.↗

Microscale Processes Determining Macroscale Evolution of Magnetic Flux Tubes along Earth’s Magnetopause

An important process affecting solar wind-Earth’s magnetosphere coupling is non-steady dayside magnetic reconnection, observationally evidenced by a flux-transfer-event (FTE) that shows a bipolar variation of the magnetic field component normal to the magnetopause. FTEs often consist of two interlinked flux tubes, but, local kinetic processes between the flux tubes are not understood in the context of the FTE structuring, evolution, and impact. An FTE observed by MMS on 18 December 2017 consisted of two flux tubes of different topology. One includes field lines with ends connected to the northern and southern hemispheres while the other includes field lines with both ends connected to the magnetosheath. Reconnection occurring at the flux-tube interface indicates how interacting flux tubes evolve into a flux rope with helical magnetic topology that is either closed or open. This study demonstrates a new aspect of how micro-to meso-scale dynamics occurring within FTEs determines their macroscale characteristics and evolution.

Solar-terrestrial interactions↗

Structure–Composition Relationships for Mg–Ni and Mg–Fe Olivine

Olivine is a dynamic and important mineral in the crust and mantle with relevance to processes important to climate change technology, such as geologic carbon storage and critical mineral recovery. In this work, we critically evaluated and compiled a new database of olivine diffraction data, lattice parameters, and composition to enable rapid Ni-Mg-Fe olivine composition determination. A compilation of olivine X-ray diffraction data and chemical compositions from both the literature and the International Centre for Diffraction Data (ICDD) powder database was assembled to plot both the forsterite-fayalite and forsterite-liebenbergite solid solution lines. Here we present an expanded dataset to delineate equations and relationships used for quantifying the correlations between olivine lattice parameters and chemical compositions in Mg 2 SiO 4 -Fe 2 SiO 4 (forsterite-fayalite) and Mg 2 SiO 4 -Ni 2 SiO 4 (forsterite-liebenbergite) olivine solid solution series.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

RFI and SCRIMP Model Development and Verification

Vacuum-Assisted Resin Transfer Molding (VARTM) processes are becoming promising technologies in the manufacturing of primary composite structures in the aircraft industry as well as infrastructure. A great deal of work still needs to be done on efforts to reduce the costly trial-and-error methods of VARTM processing that are currently in practice today. A computer simulation model of the VARTM process would provide a cost-effective tool in the manufacturing of composites utilizing this technique. Therefore, the objective of this research was to modify an existing three-dimensional, Resin Film Infusion (RFI)/Resin Transfer Molding (RTM) model to include VARTM simulation capabilities and to verify this model with the fabrication of aircraft structural composites. An additional objective was to use the VARTM model as a process analysis tool, where this tool would enable the user to configure the best process for manufacturing quality composites. Experimental verification of the model was performed by processing several flat composite panels. The parameters verified included flow front patterns and infiltration times. The flow front patterns were determined to be qualitatively accurate, while the simulated infiltration times over predicted experimental times by 8 to 10%. Capillary and gravitational forces were incorporated into the existing RFI/RTM model in order to simulate VARTM processing physics more accurately. The theoretical capillary pressure showed the capability to reduce the simulated infiltration times by as great as 6%. The gravity, on the other hand, was found to be negligible for all cases. Finally, the VARTM model was used as a process analysis tool. This enabled the user to determine such important process constraints as the location and type of injection ports and the permeability and location of the high-permeable media. A process for a three-stiffener composite panel was proposed. This configuration evolved from the variation of the process constraints in the modeling of several different composite panels. The configuration was proposed by considering such factors as: infiltration time, the number of vacuum ports, and possible areas of void entrapment.

Loos, Alfred C.↗

A Brief Summary of the Geomorphic Evidence for an Active Surface Hydrologic Cycle in Mars' Past

Because Mars is just over half the Earth's diameter (about 6800 km), it does not exhibit global tectonism on a scale comparable to Earth and Venus. But because it is still a large body compared to Mercury and the moon, it has had an atmosphere and climate over the history of the solar system. This is why Mars has been able to retain surfaces produced both through volcanic and climatic processes that are intermediate in age between volcanic surfaces on the moon and Mercury and both types of surfaces on Venus and Earth. For the purposes of this discussion, this has important implications about the origins and evolution of topographic depressions that potentially may have contained lakes. Tectonism is probably the most important process on Earth for producing closed depressions on the continents, and is clearly responsible for maintenance of the ocean basins through geologic time. This is probably also true for depressions in the highland terrains and lowland plains of Venus. On Mars, however, tectonism appears limited to relatively small amounts of regional extension, compression, and vertical motion largely due to crustal loading of the two major volcanic provinces - Tharsis and Elysium Impact craters and large impact basins (including all or parts of the northern plains) are clearly more important sites for potential lake basins on Mars, though they were likely more important on Earth, and Venus as well, during the period of heavy meteorite bombardment throughout the solar system prior to 3.5 Ga. Comparisons of the relative importance of other formative processes on Mars with those on Earth are less obvious, and some may be quite speculative, since our understanding of the early Martian environment is still rather limited. Additional information is contained in the original extended abstract.

Parker, T. J.↗