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At least 1,441 records · Page 80

An Alternative Hypothesis for How Microgravity Improves Macromolecular Crystal Quality

There is a substantial body of experimental evidence, from this and other laboratories, that strongly suggests that for many proteins crystal nucleation and growth is by addition of associated species that are preformed by reversible concentration-driven self association processes in the bulk solution. We have developed a self-association model for the crystal nucleation and growth of the protein chicken egg lysozyme. The model accounts for the obtained crystal symmetry, explains the observed surface structures, and shows the importance of the symmetry obtained by self-association in solution to the process as a whole. This model also offers a possible mechanism for fluid flow effects on the growth process and how microgravity may affect it. While a single lysozyme molecule is relatively small an octamer in the 43 helix configuration (the proposed average sized growth unit) would have a M.W. approx. 115,000 and dimensions of 5.6 x 5.6 x 7.6 nm. Direct AFM measurements of growth unit incorporation indicate that units as wide as 11.2 nm and as long as 11.4 nm (a 24-mer) commonly attach to the crystal. AFM results from Weichmann et al. (Ultramicroscopy 86, 159-166, 2001) suggest that associated species of up to 40-mers in size add to the (101) faces. These measurements reflect the sizes of units that both added and desorbed from the crystal surface. The larger and less isotropic the associated species the more likely that it will be oriented to some degree in a flowing boundary layer, even at the low flow velocities measured about macromolecule crystals. On Earth, concentration gradient driven flow will maintain a high interfacial concentration, i.e., a high level (essentially that of the bulk solution) of solute association at the interface and higher growth rate. Higher growth rates mean an increased probability that misaligned growth units are trapped by subsequent growth layers before they can be desorbed and try again, or that the desorbing species is more likely to be smaller than the adsorbing species. In microgravity the extended diffusive boundary layer will lower the interfacial concentration. This results in a net dissociation of aggregated species that diffuse in from the bulk solution, i.e., smaller associated species, which are more likely able to make multiple attempts to correctly bind, yielding higher quality crystals.

Pusey, Marc↗

Large Alluvial Fans on Mars

Several dozen distinct alluvial fans, 10 to greater than 40 km long downslope are observed exclusively in highlands craters. Within a search region between 0 deg. and 30 deg. S, alluvial fan-containing craters were only found between 18 and 29 S, and they all occur at around plus or minus 1 km of the MOLA-defined Martian datum. Within the study area they are not randomly distributed but instead form three distinct clusters. Fans typically descend greater than 1 km from where they disgorge from their alcoves. Longitudinal profiles show that their surfaces are very slightly concave with a mean slope of 2 degrees. Many fans exhibit very long, narrow low-relief ridges radially oriented down-slope, often branching at their distal ends, suggestive of distributaries. Morphometric data for 31 fans was derived from MOLA data and compared with terrestrial fans with high-relief source areas, terrestrial low gradient alluvial ramps in inactive tectonic settings, and older Martian alluvial ramps along crater floors. The Martian alluvial fans generally fall on the same trends as the terrestrial alluvial fans, whereas the gentler Martian crater floor ramps are similar in gradient to the low relief terrestrial alluvial surfaces. For a given fan gradient, Martian alluvial fans generally have greater source basin relief than terrestrial fans in active tectonic settings. This suggests that the terrestrial source basins either yield coarser debris or have higher sediment concentrations than their Martian counterpoints. Martian fans and Basin and Range fans have steeper gradients than the older Martian alluvial ramps and terrestrial low relief alluvial surfaces, which is consistent with a supply of coarse sediment. Martian fans are relatively large and of low gradient, similar to terrestrial fluvial fans rather than debris flow fans. However, gravity scaling uncertainties make the flow regime forming Martian fans uncertain. Martian fans, at least those in Holden crater, apparently formed around the time of the Noachian-Hesperian boundary. We infer that these fans formed during an episode of enhanced precipitation (probably snow) and runoff, which exhibited both sudden onset and termination.

Moore, Jeffrey M.↗

Porous Media Approach for Modeling Closed Cell Foam

In order to minimize boil off of the liquid oxygen and liquid hydrogen and to prevent the formation of ice on its exterior surface, the Space Shuttle External Tank (ET) is insulated using various low-density, closed-cell polymeric foams. Improved analysis methods for these foam materials are needed to predict the foam structural response and to help identify the foam fracture behavior in order to help minimize foam shedding occurrences. This presentation describes a continuum based approach to modeling the foam thermo-mechanical behavior that accounts for the cellular nature of the material and explicitly addresses the effect of the internal cell gas pressure. A porous media approach is implemented in a finite element frame work to model the mechanical behavior of the closed cell foam. The ABAQUS general purpose finite element program is used to simulate the continuum behavior of the foam. The soil mechanics element is implemented to account for the cell internal pressure and its effect on the stress and strain fields. The pressure variation inside the closed cells is calculated using the ideal gas laws. The soil mechanics element is compatible with an orthotropic materials model to capture the different behavior between the rise and in-plane directions of the foam. The porous media approach is applied to model the foam thermal strain and calculate the foam effective coefficient of thermal expansion. The calculated foam coefficients of thermal expansion were able to simulate the measured thermal strain during heat up from cryogenic temperature to room temperature in vacuum. The porous media approach was applied to an insulated substrate with one inch foam and compared to a simple elastic solution without pore pressure. The porous media approach is also applied to model the foam mechanical behavior during subscale laboratory experiments. In this test, a foam layer sprayed on a metal substrate is subjected to a temperature variation while the metal substrate is stretched to simulate the structural response of the tank during operation. The thermal expansion mismatch between the foam and the metal substrate and the thermal gradient in the foam layer causes high tensile stresses near the metal/foam interface that can lead to delamination.

Ghosn, Louis J.↗

First-Order Hyperbolic System Method for Time-Dependent Advection-Diffusion Problems

A time-dependent extension of the first-order hyperbolic system method for advection-diffusion problems is introduced. Diffusive/viscous terms are written and discretized as a hyperbolic system, which recovers the original equation in the steady state. The resulting scheme offers advantages over traditional schemes: a dramatic simplification in the discretization, high-order accuracy in the solution gradients, and orders-of-magnitude convergence acceleration. The hyperbolic advection-diffusion system is discretized by the second-order upwind residual-distribution scheme in a unified manner, and the system of implicit-residual-equations is solved by Newton's method over every physical time step. The numerical results are presented for linear and nonlinear advection-diffusion problems, demonstrating solutions and gradients produced to the same order of accuracy, with rapid convergence over each physical time step, typically less than five Newton iterations.

Mazaheri, Alireza↗

Detecting Volcanic Co2 Emissions Hidden in Tropical Volcanic Forests Using Fixed-Wing sUAS

CO2 emissions are among the earliest indicators of subsurface state change and reactivation of volcanic systems and these deep signals reflect in faint diffuse emissions variations on volcanic flanks. Monitoring vast areas of rainforests covering tropical volcanoes is challenging, and space-borne sensors like OCO-2 are not sensitive enough. Fortunately, trees exposed to mild enhancements of CO2 may experience fertilization and build excess CO2 into excess biomass (Cawse-Nicholson, et al. 2018, Biogeosciences). They also process excess CO2 through photosynthesis, measurable by fluorescence (Bogue et al., 2019, Biogeosciences). Furthermore, spaceborne remote sensing instruments have demonstrated increasing NDVI months to years before eruptions, unexplained by other factors (e.g., Houlie et al. 2006, EPSL; Seiler et al. 2017, PLoS One). By providing a means to map large areas of above-canopy CO2 variations over tropical rainforest on the flanks of actively degassing volcanoes, we enable to interpret the signals plants provide in response to excess CO2 with airborne and spaceborne hyperspectral remote sensing methods, including a possible future Surface Biology and Geology (SBG) NASA satellite mission.As a critical step to mature and test this concept, we deployed small unmanned aerial systems (sUAS) using a fixed-wing sUAS designed for autonomous operations and long endurance in extreme environments, without causing significant disturbance of the sampled air. We integrated an in-situ sensor to record the CO2 enhancement field above the forest canopy. Test flight results on the flanks of Turrialba volcano in Costa Rica above forest canopies covering known moderate gas seeps demonstrate the sUAS-borne detection and mapping capabilities of above-canopy elevated CO2 gradients. The strong detection capabilities and high detector signal stability resulted from key system design elements including RF shielding, mechanical stabilization, and calibration procedures. This highly robust system is readily applied for diffuse volcanic CO2 emission studies on active volcanoes covered by dense vegetation.

Volcanic↗

Accelerated Irradiation Testing of Miniature Nuclear Fuel and Cladding Specimens

Qualification of advanced nuclear fuels and materials requires irradiation testing to provide input to predictive models for licensing. Oak Ridge National Laboratory has a long history of performing accelerated irradiation testing and post-irradiation examination (PIE) of miniature material specimens to determine the evolution of microstructure and thermophysical properties, leveraging the High Flux Isotope Reactor, dedicated hot cells, and instruments for handling small, low-level radioactive samples. This work gives a brief overview of irradiation testing of miniature samples to support qualification of advanced fuel cladding materials such as FeCrAl alloys and SiC ceramic matrix composites. More recent work has enabled separate effects irradiation testing of miniature fuel specimens. The small fuel size essentially decouples fuel temperature from fission rate, allowing for highly accelerated testing without large temperature gradients. This paper briefly highlights the new mini fuel irradiation facility and its first set of experiments.

Petrie, Christian↗

MRP and NEAMS Meeting - Current Modeling to Support Experiments

Heat-pipe cooled micro-reactor is currently being actively investigated in the NS&T department at INL. Given the high operation temperature and large temperature gradients in the system, the induced thermal stresses need to be well analyzed and kept within the safety margin. Two commercial FEM software (ABAQUS and STAR-CCM+) have been proposed to simulate and compare for both the temperature and stress distributions for the single heat pipe experiments, with the middle single heat pipe and 6 heaters surrounded. This presentation file is aimed to provide the latest updates for the researchers who is under NEAMS program and involved with the DOE micro-reactor program

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Tailored Microstructure and Properties in UO{sub 2}

Advanced fuels with enhanced safety margin and accident tolerance are of vital importance for safe operation of current light water reactor fleet and the development of future reactor systems. The current UO{sub 2} fuel for LWRs has low thermal conductivity, which will be further reduced upon burn-up. The intrinsically low thermal transfer efficiency of the oxide fuels results in a large temperature gradient within the fuel pellet and high center-line temperature. Thermal swelling of the pellets and fission product accommodation and retention limit the lifetime of UO{sub 2} fuel in the reactor, presenting the great challenges for extending burn-up, effective utilization of nuclear resources and minimization of nuclear waste accumulation. Critical needs also exist in developing accident tolerant fuels that can tolerate loss of coolant accident or improve fuel performance under regular operation or beyond design scenario. Key properties of advanced fuels include high thermal conductivity, oxidation resistance, high temperature mechanical properties, fission gas retention capability and thus improved accident tolerance. The US Nuclear Energy Advanced Modeling and Simulation (NEAMS) program is developing science-based next generation fuel performance modeling capability as part its Fuel Product Line in order to facilitate the predictive capability of nuclear fuel performance and assist the design and analysis of reactor systems. Critical experimental data are needed to validate MARMOT models, particularly on effective thermal transport, fracture mechanisms, grain growth kinetics and fission gas behavior. The fabrication of sintered fuel pellets with well-controlled microstructure is prerequisite to establish the correlation of the microstructure features and fuel behavior in order to develop high fidelity fuel performance models. In this talk, recent advancements on developing advanced UO{sub 2} fuels and properties improvement are overviewed with the emphasis on different accident tolerant fuel (ATF) concepts and tailoring microstructures for MARMOT validation. Current efforts on ATFs include composite fuels and high-density fuels to improve thermal-mechanical properties and fission gas retention capabilities. Different composite UO{sub 2} fuels are fabricated with heterogeneous phases as sintering additives for microstructure and property control, and the potential application of the composites as advanced fuels with enhanced accident tolerance will be discussed. In addition, recent progresses of using field-assisted sintering technologies, specifically spark plasma sintering (SPS), in tailoring and engineering fuel matrix as the target systems for validating MARMOT physics models will be highlighted. Particularly, monolithic UO{sub 2} with tailored microstructure including grain size across multiple length scales from nano-metered to micron-sizes, porosity and stoichiometry can be sintered. The impacts of tailored microstructure on thermal-mechanical properties and grain growth kinetics are discussed within the context of the MARMOT modeling. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Graphene: a Barrier to Hydrogen Permeation

Small area freestanding monolayer graphene has been shown to be impermeable to standard gases including hydrogen and helium.1 Several recent reports have suggested that graphene can be used as a hydrogen permeation barrier on metals.2 Those studies have relied on electrochemical hydrogen permeation measurements, which do a good job reproducing bulk permeability compared to gaseous diffusion but do not always reflect the real surface effects due to the difference in driving forces. This problem is magnified when measuring the permeability of thin coatings, which are dominated by surface effects. For this reason, we performed gas driven hydrogen permeation measurements of graphene coated metal samples. The diffusion of hydrogen through a metal can be described using Fick's and Sievert's Laws. Graphene-coated copper foils were prepared using chemical vapor deposition (CVD) with a methane precursor. Photo-reduced graphene samples were prepared by first sputtering a layer (∼15 nm) of copper on top of stainless steel foils. Graphene oxide in ethanol solutions were then drop cast on the surface and photo reduced using a neon lamp. A custom-designed apparatus has been assembled for measuring the hydrogen permeability of various materials. The operating principle of the system is as follows: A sample is sealed between the fore-sample and post-sample chambers using standard vacuum gaskets. Hydrogen is introduced into the fore sample region at varying pressures while the post sample region is maintained under high vacuum. Due to the concentration gradient, hydrogen then diffuses through the material and is detected using a quadrupole mass spectrometer. This process is repeated at several temperatures. The mass spectrometer was calibrated using an orifice with known conductance in place of the sample. Data collection and reduction were automated using scripts written in LabVIEW and Octave, respectively. We saw a decrease in the hydrogen permeability of copper after adding graphene to the surface for small temperature steps. This result is also observed when considering temperature steps of 20 K. Future Work: Apply this methodology to graphene-coated 316L stainless steel. The hydrogen permeability of 316L steel should also decrease with the addition of graphene to the surface. Determine methods for graphene defect reduction.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Impact of a large density gradient on linear and nonlinear edge-localized mode simulations

Here, the impact of a large density gradient on edge-localized modes (ELMs) is studied linearly and nonlinearly by employing both two-fluid and gyro-fluid simulations. In two-fluid simulations, the ion diamagnetic stabilization on high-n modes disappears when the large density gradient is taken into account. But gyro-fluid simulations show that the finite Larmor radius (FLR) effect can effectively stabilize high-n modes, so the ion diamagnetic effect alone is not sufficient to represent the FLR stabilizing effect. We further demonstrate that additional gyroviscous terms must be kept in the two-fluid model to recover the linear results from the gyro-fluid model. Nonlinear simulations show that the density variation significantly weakens the E × B shearing at the top of the pedestal and thus leads to more energy loss during ELMs. The turbulence spectrum after an ELM crash is measured and has the relation of $P(k_{z})\propto k_{z}^{-3.3}$ .

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

High spatial resolution temperature profile measurements of solid-oxide fuel cells

Temperature gradients resulting from local electrochemical reactions, current distribution and geometry of gas flow channels in solid oxide fuel cells (SOFCs) create thermal stresses, localized thermophysical property gradients and uneven property evolution, contributing to SOFC degradation. This paper presents a new method to perform temperature measurements (up to 800°C) at high spatial resolutions to monitor the operation of SOFCs. Using femtosecond laser irradiation, distributed fiber sensors were hardened for high temperature environment applications. Distributed fiber sensors were embedded in interconnected plates using an additive manufacturing method to perform temperature measurements with 4-mm spatial resolution during the operation of a planar fuel cell. The measurement revealed the impact of various H 2 fuel concentrations and current loads have on temperature profiles of the SOFC tested. Temperature variation on the anode side was found to be less than 5°C, and 3°C on the cathode side. The measurements were compared to results from a multiphysics fuel cell performance model simulating similar conditions. These simulations predicted similar temperature gradients, indicating the experimental data obtained is reasonable. The model also predicts that the effect of the embedded sensor has on the local temperature will be minimal and that the gradient of temperature in the gas channels will be captured despite the separation between the sensor and the gas flow. Finally, the high spatial resolution data harnessed by these distributed fiber sensors provides experimental support for model-based design and optimization to improve the operational efficiency and longevity of solid oxide fuel cells and fuel cell assemblies.

25 ENERGY STORAGE↗

Inherent Driving Force for Charge Separation in Curved Stacks of Oligothiophenes

Coexistence of high local charge mobility and an energy gradient can lead to efficient free charge carrier generation from geminate charge transfer states at the donor–acceptor interface in bulk heterojunction organic photovoltaics. It is, however, not clear what polymer microstructures can support such coexistence. Using recent methods from density functional theory, we propose that a stack of similarly curved oligothiophene chains can deliver the requirements for efficient charge separation. Curved stacks are stable because of the polymer’s strong π-stacking ability and because backbone torsions are flexible in neutral chains. However, energy of a charge in a polymer chain has remarkably stronger dependence on torsions. The trend of increasing planarity in curved stacks effectively creates an energy gradient that drives charge in one direction. The curvature of these partially ordered stacks is found to beneficially interact with fullerenes for charge separation. The curved stacks, therefore, are identified as possible building blocks for interfacial structures that lead to efficient free carrier generation in high-performing organic photovoltaic systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Least squares inversion of Stokes profiles in the presence of velocity gradients

The Auer, Heasley and House Stokes inversion procedure in use at High Altitude Observatory is based on the analytic solution of the equation of transfer for polarized light where the representation of the thermodynamic and magnetic structure of the atmosphere is assumed to have a high degree of invariance, namely, a Milne-Eddington (ME) structure with a constant magnetic field. In the presence of invariance breaking gradients the resultant Stokes profiles are represented only approximately, if at all, by analytic forms. The accuracy of the inversion parameters and their significance as measures of actual structure are explored for the ME and the Landman-Finn sunspot models under the effects of velocity gradients. The resulting field parameters are good to a few percent and prove to be insensitive to the errors committed by the use of a ME-representation, but the resulting ME parameters yield a less precise measure of thermal structure.

Skumanich, A.↗

Cause and Cure - Deterioration in Accuracy of CFD Simulations with Use of High-Aspect-Ratio Triangular/Tetrahedral Grids

Traditionally high-aspect ratio triangular/tetrahedral meshes are avoided by CFD researchers in the vicinity of a solid wall, as it is known to reduce the accuracy of gradient computations in those regions. Although for certain complex geometries, the use of high-aspect ratio triangular/tetrahedral elements in the vicinity of a solid wall can be replaced by quadrilateral/prismatic elements, ability to use triangular/tetrahedral elements in such regions without any degradation in accuracy can be beneficial from a mesh generation point of view. The benefits also carry over to numerical frameworks such as the space-time conservation element and solution element (CESE), where simplex elements are the mandatory building blocks. With the requirement of the CESE method in mind, a rigorous mathematical framework that clearly identifies the reason behind the difficulties in use of such high-aspect ratio simplex elements is formulated using two different approaches and presented here. Drawing insights from the analysis, a potential solution to avoid that pitfall is also provided as part of this work. Furthermore, through the use of numerical simulations of practical viscous problems involving high-Reynolds number flows, how the gradient evaluation procedures of the CESE framework can be effectively used to produce accurate and stable results on such high-aspect ratio simplex meshes is also showcased.

CESE Method↗

The impact of SST resolution change in the ERA-Interim reanalysis on wintertime Gulf Stream frontal air-sea interaction: SST Resolution Change in ERA-Interim

This paper examines the sensitivity to a change in sea surface temperature (SST) resolution of the interaction between atmospheric and oceanic fronts in the Gulf Stream region in the ERA-Interim reanalysis data set. Two periods are considered, January 1979 to December 2001 (SST resolution 1° × 1°) and December 2010 to February 2016 (SST resolution 0.05° × 0.05°). The winter season from the latter 6 years of high-resolution SST is compared against six random periods of six wintertime seasons from the low-resolution SST period, to assess the robustness of the result against natural climate variability. In all comparisons, a significant change in frontal air-sea sensible heat flux exchange is found that is highly correlated to the change in mean SST gradient. This leads to both increases and decreases in occurrence of atmospheric fronts and mean precipitation of up to 30%. These results reemphasize the importance of high SST resolution in resolving the influence of oceanic fronts on weather and climate.

54 ENVIRONMENTAL SCIENCES↗

Variable location channels to improve efficiency and precision for direct ∇ T e measurements and high spatial resolution T e -profile measurements using electron cyclotron emission

Electron cyclotron emission (ECE) diagnostics that use variable location channels based on yttrium iron garnet (YIG) bandpass filters improve the precision and the efficiency of measurements of electron temperature (T e ) profiles and fluctuations (δT e ). These variable frequency filters were substituted for fixed frequency filters in the intermediate frequency section to achieve the required higher resolution over a target radial range, just before the experiment. In this paper, we present the proof-of-principle for high temporal resolution measurement of the electron temperature gradient, via real-time slewing of a YIG filter for relocation of an ECE channel during a long pulse. The key component is the application of YIG tunable filters with their narrow bandwidth and capability for a high slew rate of their center frequency. This application permits fast relocation of the ECE channels for direct measurement of the gradient and close spacing of channels to investigate the magnetic island’s dynamic behavior.

47 OTHER INSTRUMENTATION↗

The latitudinal gradient of nitric oxide in the thermosphere

Theoretical calculations of nitric oxide altitude profiles are made at five different latitudes by using neutral temperatures and composition primarily from the MSIS (mass spectrometer and incoherent scatter) model. The nitric oxide calculated for an altitude of 105 km remains nearly constant with increasing latitude. Observations made by the ultraviolet nitric oxide instrument on the Atmosphere Explorer C satellite show that at low magnetic activity (Ap value of approximately 4), the NO density at 105 km agrees with the theory; however, at moderate levels of activity it increases with latitude. This discrepancy between the theoretical and observed latitudinal gradients of nitric oxide suggests the transport of NO from a high latitude source to lower latitudes. At 200 km the theoretical and observed latitudinal gradients are in reasonable agreement, an indication that the knowledge of the local composition and temperature is sufficient to model nitric oxide at this altitude.

Cravens, T. E.↗