Development of a Digital Twin Towards Enhanced Monitoring of the SF6 Sub-system on the Z Machine
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McCabe, Isabel Nicole [Sandia National Laboratorie↗
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Atmospheric Sulfur Hexafluoride: Sources, Sinks and Greenhouse Warming
Model calculations using estimated reaction rates of sulfur hexafluoride (SF6) with OH and 0('D) indicate that the atmospheric lifetime due to these processes may be very long (25,000 years). An upper limit for the UV cross section would suggest a photolysis lifetime much longer than 1000 years. The possibility of other removal mechanisms are discussed. The estimated lifetimes are consistent with other estimated values based on recent laboratory measurements. There appears to be no known natural source of SF6. An estimate of the current production rate of SF6 is about 5 kt/yr. Based on historical emission rates, we calculated a present-day atmospheric concentrations for SF6 of about 2.5 parts per trillion by volume (pptv) and compared the results with available atmospheric measurements. It is difficult to estimate the atmospheric lifetime of SF6 based on mass balance of the emission rate and observed abundance. There are large uncertainties concerning what portion of the SF6 is released to the atmosphere. Even if the emission rate were precisely known, it would be difficult to distinguish among lifetimes longer than 100 years since the current abundance of SF6 is due to emission in the past three decades. More information on the measured trends over the past decade and observed vertical and latitudinal distributions of SF6 in the lower stratosphere will help to narrow the uncertainty in the lifetime. Based on laboratory-measured IR absorption cross section for SF6, we showed that SF6 is about 3 times more effective as a greenhouse gas compared to CFC 11 on a per molecule basis. However, its effect on atmospheric warming will be minimal because of its very small concentration. We estimated the future concentration of SF6 at 2010 to be 8 and 10 pptv based on two projected emission scenarios. The corresponding equilibrium warming of 0.0035 C and 0.0043 C is to be compared with the estimated warming due to CO2 increase of about 0.8 C in the same period.
Sze, Nien Dak↗
Atmospheric sulfur hexafluoride - Sources, sinks and greenhouse warming
An estimate is obtained of worldwide production of SF6, from which a global emission rate is derived and extrapolated for the next 20 years. The atmospheric lifetime of SF6 is then estimated based on a known mechanism (e.g., photolysis and atmospheric oxidation) and/or on the mass balance method. Finally, the radiative forcing of SF6 is calculated based on recent laboratory IR absorption data, and the expected warming over the time period 1950-2010 is computed for several emission scenarios. Calculations showed that SF6 is 3 times more effective as a greenhouse gas compared to CFC 11 on a per-molecule basis. However, based on projected emission scenarios, the expected warming from SF6 through 2010 is small (0.004 C), compared to the warming from CO2 and other trace gases (0.8 C).
Ko, Malcolm K. W.↗
Numerical study to assess sulfur hexafluoride as a medium for testing multielement airfoils
A methodology is described for computing viscous flows of air and sulfur hexafluoride (SF6). The basis is an existing flow solver that calculates turbulent flows in two dimensions on unstructured triangular meshes. The solver has been modified to incorporate the thermodynamic model for SF6 and used to calculate the viscous flow over two multielement airfoils that have been tested in a wind tunnel with air as the test medium. Flows of both air and SF6 at a free-stream Mach number of 0.2 and a Reynolds number of 9 x 10(exp 6) are computed for a range of angles of attack corresponding to the wind-tunnel test. The computations are used to investigate the suitability of SF6 as a test medium in wind tunnels and are a follow-on to previous computations for single-element airfoils. Surface-pressure, lift, and drag coefficients are compared with experimental data. The effects of heavy gas on the details of the flow are investigated based on computed boundary-layer and skin-friction data. In general, the predictions in SF6 vary little from those in air. Within the limitations of the computational method, the results presented are sufficiently encouraging to warrant further experiments.
Bonhaus, Daryl L.↗
Gas diffusion through variably-water-saturated zeolitic tuff: Implications for transport following a subsurface nuclear event
Noble gas transport through geologic media has important applications in the characterization of underground nuclear explosions (UNEs). Without accurate transport models, it is nearly impossible to distinguish between xenon signatures originating from civilian nuclear facilities and UNEs. Understanding xenon transport time through the earth is a key parameter for interpreting measured xenon isotopic ratios. One of the most challenging aspects of modeling gas transport time is accounting for the effect of variable water saturation of geological media. In this study, we utilize bench-scale laboratory experiments to characterize the diffusion of krypton, xenon, and sulfur hexafluoride (SF6) through intact zeolitic tuff under different saturations. Here, we demonstrate that the water in rock cores with low partial saturation dramatically affects xenon transport time compared to that of krypton and SF6 by blocking sites in zeolitic tuff that preferentially adsorb xenon. This leads to breakthrough trends that are strongly influenced by the degree of the rock saturation. Xenon is especially susceptible to this phenomenon, a finding that is crucial to incorporate in subsurface gas transport models used for nuclear event identification. We also find that the breakthrough of SF6 diverges significantly from that of noble gases within our system. When developing field scale models, it is important to understand how the behavior of xenon deviates from chemical tracers used in the field, such as SF6 (Carrigan et al., 1996). These new insights demonstrate the critical need to consider the interplay between rock saturation and fission product sorption during transport modeling, and the importance of evaluating specific interactions between geomedia and gases of interest, which may differ from geomedia interactions with chemical tracers.
98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗
Modifications to Langley 0.3-m TCT adaptive wall software for heavy gas test medium, phase 1 studies
The scheme for two-dimensional wall adaptation with sulfur hexafluoride (SF6) as test gas in the NASA Langley Research Center 0.3-m Transonic Cryogenic Tunnel (0.3-m TCT) is presented. A unified version of the wall adaptation software has been developed to function in a dual gas operation mode (nitrogen or SF6). The feature of ideal gas calculations for nitrogen operation is retained. For SF6 operation, real gas properties have been computed using the departure function technique. Installation of the software on the 0.3-m TCT ModComp-A computer and preliminary validation with nitrogen operation were found to be satisfactory. Further validation and improvements to the software will be undertaken when the 0.3-m TCT is ready for operation with SF6 gas.
Murthy, A. V.↗
Estimating the Distribution of Colored Dissolved Organic Matter During the Southern Ocean Gas Exchange Experiment Using Four-Dimensional Variational Data Assimilation
We diagnosed the effect of various physical processes on the distribution of mixed-layer colored dissolved organic matter (CDOM) and a sulfur hexauoride (SF6) tracer during the Southern Ocean Gas Exchange Experiment (SO GasEx). The biochemical upper ocean state estimate uses in situ and satellite biochemical and physical data in the study region, including CDOM (absorption coefcient and spectral slope), SF6, hydrography, and sea level anomaly. Modules for photobleaching of CDOM and surface transport of SF6 were coupled with an ocean circulation model for this purpose. The observed spatial and temporal variations in CDOM were captured by the state estimate without including any new biological source term for CDOM, assuming it to be negligible over the 26 days of the state estimate. Thermocline entrainment and photobleaching acted to diminish the mixed-layer CDOM with time scales of 18 and 16 days, respectively. Lateral advection of CDOM played a dominant role and increased the mixed-layer CDOM with a time scale of 12 days, whereas lateral diffusion of CDOM was negligible. A Lagrangian view on the CDOM variability was demonstrated by using the SF6 as a weighting function to integrate the CDOM elds. This and similar data assimilation methods can be used to provide reasonable estimates of optical properties, and other physical parameters over the short-term duration of a research cruise, and help in the tracking of tracer releases in large-scale oceanographic experiments, and in oceanographic process studies.
Del Castillo, C. E.↗
Rate constant for the OH + CO reaction - Pressure dependence and the effect of oxygen
The effect of pressure on the rate constant of the OH + CO reaction has been measured for Ar, N2, and SF6 over the pressure range 200-730 torr. All experiments were at room temperature. The method involved laser-induced fluorescence to measure steady-state OH concentrations in the 184.9 nm photolysis of H2O-CO mixtures in the three carrier gases, combined with supplementary measurements of the CO depletion in these same carrier gases in the presence and absence of competing reference reactants. The effect of O2 on the pressure effect was determined. A pressure enhancement of the rate constant was observed for N2 and SF6, but not for Ar, within an experimental error of about 10 percent. The pressure effect for N2 was somewhat lower than previous literature reports, being about 40 percent at 730 torr. For SF6 a factor of two enhancement was seen at 730 torr. In each case it was found that O2 had no effect on the pressure enhancement. The roles of the radical species HCO and HOCO were evaluated.
Demore, W. B.↗
Laser anemometry measurements of natural circulation flow in a scale model PWR reactor system
The natural circulation of a single phase fluid in a scale model of a pressurized water reactor system during a postulated grade core accident is analyzed. The fluids utilized were water and SF6. The design of the reactor model and the similitude requirements are described. Four LDA tests were conducted: water with 28 kW of heat in the simulated core, with and without the participation of simulated steam generators; water with 28 kW of heat in the simulated core, with the participation of simulated steam generators and with cold upflow of 12 lbm/min from the lower plenum; and SF6 with 0.9 kW of heat in the simulated core and without the participation of the simulated steam generators. For the water tests, the velocity of the water in the center of the core increases with vertical height and continues to increase in the upper plenum. For SF6, it is observed that the velocities are an order of magnitude higher than those of water; however, the velocity patterns are similar.
Kadambi, J. R.↗
The effect of wind and currents on gas exchange in an estuarine system
The objectives were to develop a non-volatile tracer to use in gas exchange experiments in laterally unconfined systems and to study applications of deliberate tracers in limnology and oceanography. Progress was made on both fronts but work on the development of the non-volatile tracer proved to be more difficult and labor intensive that anticipated so no field experiments using non-volatile tracers was performed as yet. In the search for a suitable non-volatile tracer for an ocean scale gas exchange experiment a tracer was discovered which does not have the required sensitivity for a large scale experiment, but is very easy to analyze and will be well suited for smaller experiments such as gas exchange determinations on rivers and streams. Sulfur hexafluoride, SF6, was used successfully as a volatile tracer along with tritium as a non-volatile tracer to study gas exchange rates from a primary stream. This is the first gas exchange experiment in which gas exchange rates were determined on a head water stream where significant groundwater input occurs along the reach. In conjunction with SF6, Radon-222 measurements were performed on the groundwater and in the stream. The feasibility of using a combination of SF6 and radon is being studied to determine groundwater inputs and gas exchange of rates in streams with significant groundwater input without using a non-volatile tracer.
Broecker, W. S.↗
Investigation of etching techniques for superconductive Nb/Al-Al2O3/Nb fabrication processes
Wet etching, CF4 and SF6 reactive ion etching (RIE), RIE/wet hybrid etching, Cl-based RIE, ion milling, and liftoff techniques have been investigated for use in superconductive Nb/Al-Al2O3/Nb fabrication processes. High-quality superconductor-insulator-superconductor (SIS) junctions have been fabricated using a variety of these etching methods; however, each technique offers distinct tradeoffs for a given process an wafer design. In particular, it was shown that SF6 provides an excellent RIE chemistry for low-voltage anisotropic etching of Nb with high selectivity to Al. The SF6 tool has greatly improved the trilevel resist junction insulation process. Excellent repeatability, selectivity with respect to quartz, and submicron resolution make Cl2 + BCl3 + CHCl3 RIE a very attractive process for trilayer patterning.
Lichtenberger, A. W.↗
Halogen-Containing Gases as Boundary Lubricants for Corrosion-Resistant Alloys at 1200 F
The extreme temperatures anticipated for lubricated parts in advanced flight powerplants dictate the consideration of unconventional methods of lubrication such as solid lubricants and the reactive gases described in the present research. These halogen-containing "reactive" gases such as dichlorodifluoromethane, CF2Cl2, are among the most stable of organic molecules. The high "flash" temperatures generated at the contacting asperities as a result of frictional heat are sufficient to cause local decomposition of the halogen-containing gases. The active atoms thus released (e.g., chlorine) then react with the metal to be lubricated to form halides capable of effective lubrication. The presence of small amounts of a sulfur-containing gas (e.g., 1 percent sulfur hexafluoride, SF6) was found to catalyze the formation of metal halides. Friction and wear studies were made with a hemisphere (3/16-in. rad.) rider sliding in a circumferential path on the flat surface of a rotating disk (2 1/2-in. diam.). The specimens of corrosion-resistant 2 alloys were run in an atmosphere of the various gases with a load of 1200 grams, a sliding velocity of 120 feet per minute, and temperature from 75 to 1200 F. An effective lubricant for ferritic materials (M-1 tool steel) was CF2Cl2, but significant corrosion occurred above 600 F. Corrosion evaluation in CF2Cl2 suggested a number of nickel- and cobalt-base alloys for additional lubrication study. Several combinations of gases and these metals were found to lubricate to 1200 F without excessive corrosion. The gases were CF2Cl2 Plus 1 percent SF6, monobromotrifluoromethane CF3Br plus 1 percent SF6, dibromodifluoromethane CF2Br2, iodotrifluoromethane, CF3I, and I2. Careful selection of metals and gas are necessary for successful lubrication over specific temperature ranges. Optimum combinations give friction coefficients as low as 0.05 without
Buckley, Donald H.↗
Observations of the Age of Air from the Northern Hemisphere Midlatitude Surface
Understanding and modeling the interhemispheric transport (IHT) of trace gases and aerosols is important for interpreting past (and projecting future) changes in atmospheric composition. One IHT measure -- the mean age since air was last at the Northern Hemisphere (NH) midlatitude surface – represents a fundamental property of tropospheric transport that can be estimated from measurements of sulfur hexafluoride (SF6). Here we use SF6 measurements obtained from the recent NASA Atmospheric Tomography Mission (ATom) to construct observational estimates of the mean age throughout the troposphere. We compare the ATom based ages, which span all four seasons during the period 2016-2018 over both the Pacific and Atlantic Oceans, with previous in situ-based estimates obtained from the HIAPER Pole‐to‐Pole Observations (HIPPO) project, which are available only for the Pacific. In order to interpret the observed variations in mean age and their relationship with the large-scale flow we use simulations of the Goddard Earth Observing System (GEOS) general circulation model, constrained with meteorological fields derived from the Modern-Era Retrospective analysis for Research and Applications, Version 2 (MERRA-2), performed over the entire MERRA-2 period (including ATom). We confirm results from previous studies showing that the model ages are biased old compared to the observational estimates. However, we also show that this model bias is reduced in more recent years, which we interpret in terms of changes in the latitudinal distribution of SF6 emissions over the 2000s.
interhemispheric transport (IHT)↗
Realistic large eddy and dispersion simulation experiments during project sagebrush phase 1
Typical dispersion simulations use mesoscale models at grid spacing greater than 1 km to simulate pollutant transport. Advances in computing power have allowed Large Eddy Simulations (LES), (grid spacing less than 100 m) to be run with boundary conditions in the grayscale regime (grid size of 1 km–100 m). We used the WRF mesoscale/LES model and the HYSPLIT particle dispersion model to simulate SF 6 transport from Project Sagebrush Phase 1, using a grayscale-aware scheme with 4 nests of 3 km, 1 km, 200 m, 67 m. The WRF/LES simulation was in satisfactory agreement with meteorological observations but the HYSPLIT SF6 simulations indicated insufficient sub-grid turbulence kinetic energy, especially in the lowest 100 m. This resulted in over predictions of the surface SF6 concentration and insufficient vertical transport. Best agreement with the Sagebrush observations was obtained with the WRF/LES large-scale and sub-grid turbulence, enhanced with a HYSPLIT parameterized turbulence profile.
54 ENVIRONMENTAL SCIENCES↗
The Use of Machine Learning Models for Predicting the Dielectric Strength of Gases
Technological advancements in high voltage systems have pushed sulfur hexafluoride (SF6) to its operational limits. Furthermore, this gas has other drawbacks including a high liquefaction temperature and a high global warming potential. Therefore, there has been an urgent need to find alternative gases with high dielectric strength (DS). In this work, density functional theory (DFT) is used to calculate molecular descriptors that are fed into an artificial neural network (ANN) and a random forest (RF). These machine learning (ML) models are then used to predict the DS for hundreds of molecules. A finite element model (FEM) is also used to calculate the electric field profile of multiple simple electrode geometries as the applied voltage to the system is increased. Results indicate that the random forest model has better generalization to unseen data than the neural network. The highest DS value predicted by the RF was 2.16 relative to the experimental DS of SF6. The results also demonstrate how choosing a gas with a higher DS and a geometry with minimal edges and corners can significantly increase the operating voltage of an electrical system. Due to its superior generalization, the RF represents the most promising path toward an accurate DS predictor once sufficient experimental data are available.
Mileski, Matthew [AFIT]↗
Room temperature plasma-etching and surface passivation of far-ultraviolet Al mirrors using electron beam generated plasmas
The development of optical systems operating in the far ultraviolet range (FUV, λ=100-200 nm) is limited by the efficiency of passivated aluminum (Al) mirrors. Although it is presently possible to obtain high-reflectivity FUV mirrors through physical vapor deposition, the process involves deposition with substrates at high temperatures, which is technically challenging for large optical elements. A novel passivation procedure for bare Al mirrors is reported. The treatment consisted of using a low-temperature electron-beam generated plasma produced in a gas mixture of Ar and SF6 to etch away the native oxide layer from the Al film, while simultaneously promoting the generation of a thin aluminum tri-fluoride (AlF3) layer on the Al surface. In the first section we analyze the effect of varying both ion energy and SF6 concentration on the FUV reflectance, thickness, composition, and surface morphology of the resulting AlF3 protective layers. In the second section, the reflectivity of samples is optimized at selected important FUV wavelengths for astronomical observations. Notably, samples attained state-of-the-art reflectances of 75% at 108.5 nm (He Lyman γ), 91% at 121.6 nm (H Lyman α), 90% at 130.4 nm (OI), and of 95% at 155.0 nm (C IV). The stability over time of these passivated mirrors is also investigated.
70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE Sustainability Award
I’m nominating Shannon Blair from the Sustainability Program and Michael Moss from Pollution Prevention Program for the DOE Outstanding Sustainability Program/Project Award for their efforts in reducing sulfur hexafluoride (SF6) emissions at Los Alamos National Laboratory (LANL) and creating a system of accounting for improved tracking of SF6 emissions in the future.
99 GENERAL AND MISCELLANEOUS↗
High-resolution threshold photoelectron spectroscopy by electron attachment
A new technique for measuring high-resolution threshold photoelectron spectra of atoms, molecules, and radicals is described. It involves photoionization of a gaseous species, attachment of the threshold, or nearly zero electron to some trapping molecule (here SF6 or CFCl3), and mass detection of the attachment product (SF6/-/ or Cl/-/ respectively). This technique of threshold photoelectron spectroscopy by electron attachment was used to measure the spectra of argon and xenon at 11 meV (FWHM) resolution, and was also applied to CFCl3.
Ajello, J. M.↗