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DOE OSTI2022

Machine Learning for Improving Surface-Layer-Flux Estimates

Abstract Flows in the atmospheric boundary layer are turbulent, characterized by a large Reynolds number, the existence of a roughness sublayer and the absence of a well-defined viscous layer. Exchanges with the surface are therefore dominated by turbulent fluxes. In numerical models for atmospheric flows, turbulent fluxes must be specified at the surface; however, surface fluxes are not known a priori and therefore must be parametrized. Atmospheric flow models, including global circulation, limited area models, and large-eddy simulation, employ Monin–Obukhov similarity theory (MOST) to parametrize surface fluxes. The MOST approach is a semi-empirical formulation that accounts for atmospheric stability effects through universal stability functions. The stability functions are determined based on limited observations using simple regression as a function of the non-dimensional stability parameter representing a ratio of distance from the surface and the Obukhov length scale (Obukhov in Trudy Inst Theor Geofiz AN SSSR 1:95–115, 1946), $$z/L$$ z / L . However, simple regression cannot capture the relationship between governing parameters and surface-layer structure under the wide range of conditions to which MOST is commonly applied. We therefore develop, train, and test two machine-learning models, an artificial neural network (ANN) and random forest (RF), to estimate surface fluxes of momentum, sensible heat, and moisture based on surface and near-surface observations. To train and test these machine-learning algorithms, we use several years of observations from the Cabauw mast in the Netherlands and from the National Oceanic and Atmospheric Administration’s Field Research Division tower in Idaho. The RF and ANN models outperform MOST. Even when we train the RF and ANN on one set of data and apply them to the second set, they provide more accurate estimates of all of the fluxes compared to MOST. Estimates of sensible heat and moisture fluxes are significantly improved, and model interpretability techniques highlight the logical physical relationships we expect in surface-layer processes.

Meteorology & Atmospheric Sciences↗

NASA NTRSDate not supplied

A comparison between CERES TOA Radiative Fluxes and Airborne Radiative Flux Measurements from ARISE

Uncertainty in top-of-atmosphere (TOA) radiation fluxes observations are larger in the Arctic than in other regions. These uncertainties are due to the low sun angles and the highly reflective, anisotropic, and heterogeneous surface conditions. Quantifying, attributing, and reducing Arctic TOA radiative flux uncertainty enables a better understanding of the rapidly changing Arctic. To advance this goal, we compare the Cloud and Earth’s Radiant Energy System (CERES) TOA radiative fluxes with Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) campaign measurements collected in September 2014. We compare CERES TOA and aircraft radiative flux measurements using two complementary approaches: grid box average fluxes and instantaneously matched footprints. The grid box mean flux comparison indicates an agreement between CERES and aircraft measurements within 2σ uncertainty (calibration and inversion) in the longwave for all five grid boxes and for four-of-five grid boxes in the shortwave; shortwave and longwave mean differences are -7.9 and +2.3 Wm 2, respectively. The comparison of 36 40 instantaneously matched footprints with aircraft measurements reveals mean differences of -120.25 and -1.00.4 Wm 2 in the shortwave and longwave, respectively. To further explore the persistent negative difference in the shortwave, Wwe further quantify the effects of temporal and spatial sampling differences, angular distribution models, and scene identification to CERES-aircraft differences. Our analysis indicates that sampling differences (including scene evolution) account for an additional 1.8 and 1.7% uncertainty in the shortwave and longwave, respectively and , but indicates no bias. After accounting for this sampling uncertainty, all CERES-aircraft grid box mean fluxes agree within 2σ uncertainty. Scene identification errors due to sea ice concentration data set differences exhibit no bias in the shortwave flux difference and indicate the possibility of substantial differences in the CERES fluxes in specific cases with large spatial heterogeneity. Considering the instantaneously matched footprints, we find that the angular distribution models account may account for up to 7.3 Wm-2 of the persistent CERES-aircraft shortwave flux difference due to systematic differences in the anisotropy for sea ice partly cloudy scenes. Additional analysis using a special programmable scan model with the CERES FM2 instrument suggests a significant view zenith angle dependence of the CERES fluxes for sea ice partly cloudy scenes where shortwave fluxes systematically decrease with increasing view zenith angle; no dependence is found for other scene types. We conclude that (1) spatial heterogeneity and scene temporal evolution substantially limit our ability to use aircraft measurements to place strong constraints on CERES TOA fluxes and (2) that the representation of anisotropy in sea ice partly cloudy scenes is likely a significant factor contributing to the persistent negative CERES-aircraft shortwave flux difference in this comparison and require additional data to analysis fully quantify the potential bias.

Patrick C. Taylor↗

NASA NTRSDate not supplied

Radiative Flux Measurements from ARISE: A Comparison with CERES Top-of-Atmosphere Radiative Fluxes

Uncertainty in top-of-atmosphere (TOA) radiation fluxes observations are larger in the Arctic than in other regions. These uncertainties are due to the low sun angles and the highly reflective, anisotropic, and heterogeneous surface conditions. Quantifying, attributing, and reducing Arctic TOA radiative flux uncertainty enables a better understanding of the rapidly changing Arctic. To advance this goal, we compare the Cloud and Earth’s Radiant Energy System (CERES) TOA radiative fluxes with Arctic Radiation-IceBridge Sea and Ice Experiment (ARISE) campaign measurements collected in September 2014. We compare CERES TOA and aircraft radiative flux measurements using two complementary approaches: grid box average fluxes and instantaneously matched footprints. The grid box mean flux comparison indicates an agreement between CERES and aircraft measurements within 2 uncertainty (calibration and inversion) in the longwave for all five grid boxes and for four-of-five grid boxes in the shortwave; shortwave and longwave mean differences are -7.9 and +2.3 Wm‑2, respectively. The comparison of 36 instantaneously matched footprints with aircraft measurements reveals mean differences of -10.5 and 0.4 Wm‑2 in the shortwave and longwave, respectively. To further explore the persistent negative difference in the shortwave, we further quantify the effects of temporal and spatial sampling differences, angular distribution models, and scene identification to CERES-aircraft differences. Our analysis indicates that sampling differences (including scene evolution) account for an additional 1.8 and 1.7% uncertainty in the shortwave and longwave, respectively and indicates no bias. After accounting for this sampling uncertainty, all CERES-aircraft grid box mean fluxes agree within 2 uncertainty. Scene identification errors due to sea ice concentration data set differences exhibit no bias in the shortwave flux difference and indicate the possibility of substantial differences in the CERES fluxes in specific cases with large spatial heterogeneity. Considering the instantaneously matched footprints, we find that the angular distribution models account may account for up to ‑7.3 Wm-2 of the persistent CERES-aircraft shortwave flux difference due to systematic differences in the anisotropy for sea ice partly cloudy scenes. Additional analysis using a special scan model with the CERES FM2 instrument suggests a significant view zenith angle dependence of the CERES fluxes for sea ice partly cloudy scenes where shortwave fluxes systematically decrease with increasing view zenith angle; no dependence is found for other scene types. We conclude that (1) spatial heterogeneity and scene temporal evolution substantially limit our ability to use aircraft measurements to place strong constraints on CERES TOA fluxes and (2) that the representation of anisotropy in sea ice partly cloudy scenes is a significant factor contributing to the persistent negative CERES-aircraft shortwave flux difference in this comparison and require additional data to analysis fully quantify the potential bias.

Patrick C Taylor↗

DOE OSTI2015

Analytical Modeling of a Novel Transverse Flux Machine for Direct Drive Wind Turbine Applications

This paper presents a nonlinear analytical model of a novel double sided flux concentrating Transverse Flux Machine (TFM) based on the Magnetic Equivalent Circuit (MEC) model. The analytical model uses a series-parallel combination of flux tubes to predict the flux paths through different parts of the machine including air gaps, permanent magnets (PM), stator, and rotor. The two-dimensional MEC model approximates the complex three-dimensional flux paths of the TFM and includes the effects of magnetic saturation. The model is capable of adapting to any geometry which makes it a good alternative for evaluating prospective designs of TFM as compared to finite element solvers which are numerically intensive and require more computation time. A single phase, 1 kW, 400 rpm machine is analytically modeled and its resulting flux distribution, no-load EMF and torque, verified with Finite Element Analysis (FEA). The results are found to be in agreement with less than 5% error, while reducing the computation time by 25 times.

17 WIND ENERGY↗

DOE OSTI2020

Methane flux measurements in rice by static flux chamber and eddy covariance

Abstract Understanding methane (CH 4 ) fluxes from rice ( Oryza sativa L.) at the field scale is paramount to reducing environmental impacts while ensuring global food security. Greenhouse gas (GHG) measurements at the plot scale using static flux chambers (SFC) have long informed the understanding of flux dynamics and have largely been the basis of global flux estimates. However, in many parts of the world, the landscapes where agricultural fluxes are generated come from larger fields. Eddy covariance (EC) can measure trace gases on larger fields, but there are few studies available quantifying CH 4 emissions under typical practices at a field scale. Furthermore, few of these studies are from the U.S. Midsouth, the largest producer of U.S. rice. This study compares and quantifies field‐scale SFC and EC flux measurements on a large commercial system in northeastern Arkansas during the 2015 and 2016 growing seasons, following typical producer practices. Daily measured SFC CH 4 fluxes did not differ from EC‐daily CH 4 fluxes ( p = .108). Total season CH 4 emissions, calculated as the sum of daily fluxes ranged from 50 to 156 kg CH 4 ha −1 season −1 , with SFC reporting greater emissions than EC. Although SFC and EC‐daily flux measurements were similar early ( p = .382) and late ( p = .543) in the season, they differed mid‐season ( p < .001) with SFC consistently reporting greater fluxes than EC. The findings of this study help unify season long plot‐scale and field‐scale flux measurements and signify an advancement of our understanding of GHG fluxes from rice systems.

Reba, Michele L.↗

DOE OSTI2025

Comparative studies of cross-phase dynamics in turbulent momentum flux and particle flux at the tokamak edge

Turbulent transport events, including turbulent transport flux of momentum (i.e., turbulent momentum flux or Reynolds stress) and turbulent transport flux of particle (i.e., turbulent particle flux), have important effects on the confinement performance of magnetic confinement fusion devices. Poloidal Reynolds stress is the ensemble average of the product of radial velocity fluctuations and poloidal velocity fluctuations, i.e., $\langle {\widetilde{v}}_{r}{\widetilde{v}}_{\theta }\rangle$. Turbulent particle flux is the ensemble average of the product of radial velocity fluctuations and density fluctuations, i.e., $\langle \widetilde{n}{\widetilde{v}}_{r}\rangle$. Changes in either amplitude of fluctuations or cross phase between fluctuations can cause changes in turbulent transport. In this paper, cross-phase dynamics in the Reynolds stress and turbulent particle flux at the tokamak edge are studied in detail. Reynolds stress and turbulent particle flux are, respectively, written as the product of fluctuation amplitudes and an average cross-phase factor. The mathematical expressions of the average cross-phase factors are derived. The average cross-phase factors and the power spectra of cross phase are obtained using experimental measurement data. It is found that the cross-phase dynamics in Reynolds stress and particle flux are very different. Reynolds stress is found to be more sensitive to cross phase than particle flux is. In the strong $E\times B$ shear layer, spatial slips of cross phase lead to the obvious radial gradient of Reynolds stress. In the no/weak $E\times B$ shear region, the cross phase in Reynolds stress tends to lock. Here, phase locking refers to that the power spectra of phase tend to distribute around a fixed phase which does not change with radial position, while phase slip means that the power spectra of cross phase tend to distribute around a phase that varies with radial position. Phase slip or locking mainly describes the central phase weighted by the power spectra, while the phase scattering mainly describes the dispersion of the power spectrum distribution of the phase. The increased scattering of cross phase, which indicates the power spectra distribution of the phase is more dispersed, contributes to the decreased Reynolds stress for higher collisionality. The cross phase in particle flux tends to lock in both strong and no/weak shear regions. The degree of scattering of cross phase in the particle flux does not change obviously as collisionality increases. For higher collisionality, it is the increased density fluctuation amplitude rather than cross-phase dynamics that leads to the increased particle flux. The underlying physical mechanism that causes Reynolds stress and particle flux to exhibit different phase dynamics is discussed.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

NASA NTRS1991

Evolution of magnetic flux ropes associated with flux transfer events and interplanetary magnetic clouds

Spacecraft observations suggest that flux transfer events and interplanetary magnetic clouds may be associated with magnetic flux ropes which are magnetic flux tubes containing helical magnetic field lines. In the magnetic flux ropes, the azimuthal magnetic field is superposed on the axial field. The time evolution of a localized magnetic flux rope is studied. A two-dimensional compressible MHD simulation code with a cylindrical symmetry is developed to study the wave modes associated with the evolution of flux ropes. It is found that in the initial phase both the fast magnetosonic wave and the Alfven wave are developed in the flux rope. After this initial phase, the Alfven wave becomes the dominant wave mode for the evolution of the magnetic flux rope and the radial expansion velocity of the flux rope is found to be negligible. Numerical results further show that even for a large initial azimuthal component of the magnetic field, the propagation velocity along the axial direction of the flux rope remains the Alfven velocity. It is also found that the localized magnetic flux rope tends to evolve into two separate magnetic ropes propagating in opposite directions. The simulation results are used to study the evolution of magnetic flux ropes associated with flux transfer events observed at the earth's dayside magnetopause and magnetic clouds in the interplanetary space.

Wei, C. Q.↗

DOE OSTI2026

Monthly Mean In Situ Surface Flux Observations Paired with Satellite-Derived and Reanalysis-Based Flux Data for the Great Lakes Region, 2001–2020

Surface radiative and turbulent heat fluxes over the Great Lakes strongly influence regional hydrological and meteorological processes, and their accurate representation is critical for numerical weather prediction and coupled atmosphere–lake modeling. However, direct flux observations are spatially sparse across the region, so gridded reanalysis and satellite-derived products are often used for climatological analyses and model evaluation despite differences in their flux representations. This dataset provides processed, quality-controlled, monthly mean surface flux observations from the Great Lakes Evaporation Network (GLEN), AmeriFlux, and the National Data Buoy Center, paired with spatiotemporally matched flux estimates from two reanalysis products, the fifth generation European Centre for Medium-Range Weather Forecasts (ECMWF) reanalysis dataset (ERA5) and the Modern Era Reanalysis for Research and Applications, version 2 (MERRA-2), and two satellite-derived products, the Clouds and Earth's Radiant Energy Systems Energy Balanced and Filled (CERES-EBAF) and the Cloud, Albedo and Surface Radiation dataset from AVHRR data - Edition 3 (CLARA-A3). The dataset includes sixteen observational stations with variable temporal coverage within 2001–2020. For each station, a CSV file contains monthly time series of available flux variables, including surface downwelling shortwave radiation (SW), surface downwelling longwave radiation (LW), sensible heat (SH) flux, and latent heat flux (LH), alongside matched gridded product values where available. Columns in the CSV file correspond to different variables sourced from each dataset, with column titles structured as "{dataset}_{variable}". Columns with relevant metadata are also provided in each CSV file, including station latitude and longitude, monthly timestamps, and the name of the sourced observational data. These files are structured for direct use in common analysis tools, including Microsoft Excel, Python pandas, and Python matplotlib. This dataset supports climatological analysis of the Great Lakes regional surface energy budget, evaluation of satellite-derived and reanalysis-based flux products, and development or validation of flux representations in numerical weather prediction and coupled atmosphere–lake models.

Great Lakes↗

DOE OSTI2015

SIMULATIONS OF A DYNAMIC SOLAR CYCLE AND ITS EFFECTS ON THE INTERSTELLAR BOUNDARY EXPLORER RIBBON AND GLOBALLY DISTRIBUTED ENERGETIC NEUTRAL ATOM FLUX

Since 2009, observations by the Interstellar Boundary Explorer (IBEX) have vastly improved our understanding of the interaction between the solar wind (SW) and local interstellar medium through direct measurements of energetic neutral atoms (ENAs), which inform us about the heliospheric conditions that produced them. An enhanced feature of flux in the sky, the so-called IBEX ribbon, was not predicted by any global models before the first IBEX observations. A dominating theory of the origin of the ribbon, although still under debate, is a secondary charge-exchange process involving secondary ENAs originating from outside the heliopause. According to this mechanism, the evolution of the solar cycle should be visible in the ribbon flux. Therefore, in this paper we simulate a fully time-dependent ribbon flux, as well as globally distributed flux from the inner heliosheath (IHS), using time-dependent SW parameters from Sokół et al. as boundary conditions for our time-dependent heliosphere simulation. After post-processing the results to compute H ENA fluxes, our results show that the secondary ENA ribbon indeed should be time dependent, evolving with a period of approximately 11 yr, with differences depending on the energy and direction. Our results for the IHS flux show little periodic change with the 11 yr solar cycle, but rather with short-term fluctuations in the background plasma. While the secondary ENA mechanism appears to emulate several key characteristics of the observed IBEX ribbon, it appears that our simulation does not yet include all of the relevant physics that produces the observed ribbon.

79 ASTRONOMY AND ASTROPHYSICS↗

DOE OSTI2015

Nonlinear fluid simulation of particle and heat fluxes during burst of ELMs on DIII-D with BOUT++ code [Fluid Simulation of Particle and Heat Fluxes during Burst of ELMs on DIID with BOUT++ code]

In order to study the distribution and evolution of the transient particle and heat fluxes during edge-localized mode (ELM) bursts, a BOUT++ six-field two-fluid model based on the Braginskii equations with non-ideal physics effects is used to simulate pedestal collapse in divertor geometry. We used the profiles from the DIII-D H-mode discharge #144382 with fast target heat flux measurements as the initial conditions for the simulations. Moreover, a flux-limited parallel thermal conduction is used with three values of the flux-limiting coefficient ${{\alpha}_{j}}$ , free streaming model with ${{\alpha}_{j}}=1$ , sheath-limit with ${{\alpha}_{j}}=0.05$ , and one value in between. The studies show that a 20 times increase in ${{\alpha}_{j}}$ leads to ~6 times increase in the heat flux amplitude to both the inner and outer targets, and the widths of the fluxes are also expanded. The sheath-limit model of flux-limiting coefficient is found to be the most appropriate one, which shows ELM sizes close to the measurements. The evolution of the density profile during the burst of ELMs of DIII-D discharge #144382 is simulated, and the collapse in width and depth of ${{n}_{\text{e}}}$ are reproduced at different time steps. The growing process of the profiles for the heat flux at divertor targets during the burst of ELMs measured by IRTV (infrared television) is also reproduced by this model. The widths of heat fluxes towards targets are a little narrower, and the peak amplitudes are twice the measurements possibly due to the lack of a model of divertor radiation which can effectively reduce the heat fluxes. The magnetic flutter combined with parallel thermal conduction is found to be able to increase the total heat loss by around 33% since the magnetic flutter terms provide the additional conductive heat transport in the radial direction. Finally, the heat flux profile at both the inner and outer targets is obviously broadened by magnetic flutter. The lobe structures near the X-point at LFS are both broadened and elongated due to the magnetic flutter.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2025

Comparison of CERES SYN1deg Radiative Fluxes with Those Derived from Observations at the ARM ENA Site

Profiles of radiative fluxes simulated from thermodynamic and cloud observations made at the Atmospheric Radiation Measurement (ARM) eastern North Atlantic (ENA) site for a 6-yr period are termed as ENARad. ENARad radiative fluxes are compared to those from the Clouds and the Earth’s Radiant Energy System (CERES) 1°-resolution synoptic product (SYN1deg)-simulated radiative flux profiles as well as the CERES instrument observed top-of-the-atmosphere (TOA) fluxes and ground site broadband radiometer measurements. Monthly average differences between ENARad and surface radiometer reported fluxes and differences between ENARad, SYN1deg, and observed fluxes at TOA were statistically insignificant. SYN1deg significantly overestimated surface downwelling shortwave flux by 12 ± 52 W m −2 and surface downwelling longwave flux by 5 ± 20 W m −2 on monthly time scales. Such overestimations were traced to a moister and warmer subcloud layer, a drier cloud layer, and a moister and colder above-cloud-free troposphere in the ancillary thermodynamic and cloud properties used by SYN1deg than observed. Similarly, low-cloud coverage, boundaries, and liquid water paths utilized by SYN1deg were also significantly higher than observed. Intramodel differences in the hourly values of shortwave fluxes exceeded 100 W m−2 at the TOA and the surface. These differences were also due to inaccuracies in the representation of low-cloud properties within the SYN1deg product relative to those determined by ENA ARM instrumentation and used as ENARad ancillary data. Results presented are relevant to investigations employing the CERES SYN1deg data product, studies that estimate radiative fluxes from surface-based or satellite-borne observations, and comparative analyses of radiative fluxes derived using different methodological approaches.

54 ENVIRONMENTAL SCIENCES↗

DOE OSTI2023

Flux Sensor Measurement and Calibration Requirements for High-Intensity Heat Flux Applications: A Trade Study

Stakeholders of CSP and non-CSP high-intensity broadband flux measurements were surveyed and interviewed to obtain flux sensor design and calibration requirements. Existing sensor technologies and existing calibration facilities were then compared against this standard. Stakeholders require a flux sensor designed for >5,000 kW/m2 flux measurements, >1,000 life cycles, <500 ms response time, >60-minute exposure at maximum flux, and <5% measurement uncertainty. Stakeholders also require a sensor with minimal cost, short procurement lead time, and a high-intensity broadband flux calibration. Commercial CSP stakeholders primarily rely on infrared (IR) temperature measurements of receiver equipment to control CSP plant process operation, whereas CSP research and development (R&D) and non-CSP stakeholders rely on accurate flux gauge measurements for a variety of applications. It was determined that existing flux sensor technologies and calibration facilities do not comprehensively meet stakeholder needs. This study suggests a more robust circular foil gauge with a high-intensity solar flux calibration comprehensively meets stakeholder flux measurement needs. Improved circular foil gauge designs and an improved flux sensor calibration facility are discussed.

McLaughlin, Luke (ORCID:0000000303711310)↗

NASA NTRS1994

On the relation between coronal heating, flux tube divergence, and the solar wind proton flux and flow speed

A one-fluid solar wind model is used to investigate some relations between coronal heating, the flux tube divergence near the Sun, and the solar wind proton flux and flow speed. The effects of energy addition to the supersonic region of the flow are also studied. We allow for a mechanical energy flux that heats the corona, and an Alfven wave energy flux that adds energy, mainly to the supersonic flow, both as momentum and as heat. We find that the mechanical energy flux determines the solar wind mass flux, and in order to keep an almost constant proton flux at the orbit of Earth with changing flow geometry, that the mechanical energy flux must vary linearly with the magnetic field in the inner corona. This thermally driven wind generally has a low asymptotic flow speed. When Alfven waves are added to the thermally driven flow, the asymptotic flow speed is increased and is determined by the ratio of the Alfven wave and the mechanical energy fluxes at the coronal base. Flow speeds characteristic of recurrent high-speed solar wind streams can be obtained only when the Alfven wave energy flux, deposited in the supersonic flow, is larger than the mechanical energy flux heating the corona.

Sandbaek, Onulf↗

DOE OSTI2016

Influence of hydrological, biogeochemical and temperature transients on subsurface carbon fluxes in a flood plain environment

Flood plains play a potentially important role in the global carbon cycle. The accumulation of organic matter in flood plains often induces the formation of chemically reduced groundwater and sediments along riverbanks. In this study, our objective is to evaluate the cumulative impact of such reduced zones, water table fluctuations, and temperature gradients on subsurface carbon fluxes in a flood plain at Rifle, Colorado located along the Colorado River. 2-D coupled variably-saturated, non-isothermal flow and biogeochemical reactive transport modeling was applied to improve our understanding of the abiotic and microbially mediated reactions controlling carbon dynamics at the Rifle site. Model simulations considering only abiotic reactions (thus ignoring microbial reactions) underestimated CO 2 partial pressures observed in the unsaturated zone and severely underestimated inorganic (and overestimated organic) carbon fluxes to the river compared to simulations with biotic pathways. Both model simulations and field observations highlighted the need to include microbial contributions from chemolithoautotrophic processes (e.g., Fe +2 and S -2 oxidation) to match locally-observed high CO 2 concentrations above reduced zones. Observed seasonal variations in CO 2 concentrations in the unsaturated zone could not be reproduced without incorporating temperature gradients in the simulations. Incorporating temperature fluctuations resulted in an increase in the annual groundwater carbon fluxes to the river by 170 % to 3.3 g m -2 d -1 , while including water table variations resulted in an overall decrease in the simulated fluxes. We thus conclude that spatial microbial and redox zonation as well as temporal fluctuations of temperature and water table depth contribute significantly to subsurface carbon fluxes in flood plains and need to be represented appropriately in model simulations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2014

Quantum theory of atoms in molecules/charge-charge flux-dipole flux models for fundamental vibrational intensity changes on H-bond formation of water and hydrogen fluoride

The Quantum Theory of Atoms In Molecules/Charge-Charge Flux-Dipole Flux (QTAIM/CCFDF) model has been used to investigate the electronic structure variations associated with intensity changes on dimerization for the vibrations of the water and hydrogen fluoride dimers as well as in the water-hydrogen fluoride complex. QCISD/cc-pVTZ wave functions applied in the QTAIM/CCFDF model accurately provide the fundamental band intensities of water and its dimer predicting symmetric and antisymmetric stretching intensity increases for the donor unit of 159 and 47 km mol{sup −1} on H-bond formation compared with the experimental values of 141 and 53 km mol{sup −1}. The symmetric stretching of the proton donor water in the dimer has intensity contributions parallel and perpendicular to its C{sub 2v} axis. The largest calculated increase of 107 km mol{sup −1} is perpendicular to this axis and owes to equilibrium atomic charge displacements on vibration. Charge flux decreases occurring parallel and perpendicular to this axis result in 42 and 40 km mol{sup −1} total intensity increases for the symmetric and antisymmetric stretches, respectively. These decreases in charge flux result in intensity enhancements because of the interaction contributions to the intensities between charge flux and the other quantities. Even though dipole flux contributions are much smaller than the charge and charge flux ones in both monomer and dimer water they are important for calculating the total intensity values for their stretching vibrations since the charge-charge flux interaction term cancels the charge and charge flux contributions. The QTAIM/CCFDF hydrogen-bonded stretching intensity strengthening of 321 km mol{sup −1} on HF dimerization and 592 km mol{sup −1} on HF:H{sub 2}O complexation can essentially be explained by charge, charge flux and their interaction cross term. Atomic contributions to the intensities are also calculated. The bridge hydrogen atomic contributions alone explain 145, 237, and 574 km mol{sup −1} of the H-bond stretching intensity enhancements for the water and HF dimers and their heterodimer compared with total increments of 149, 321, and 592 km mol{sup −1}, respectively.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

Spectroscopic imaging of limiter heat and particle fluxes and the resulting impurity sources during Wendelstein 7-X startup plasmas

A combined IR and visible camera system [G. A. Wurden et al., “A high resolution IR/visible imaging system for the W7-X limiter,” Rev. Sci. Instrum. (these proceedings)] and a filterscope system [R. J. Colchin et al., Rev. Sci. Instrum. 74, 2068 (2003)] were implemented together to obtain spectroscopic data of limiter and first wall recycling and impurity sources during Wendelstein 7-X startup plasmas. Both systems together provided excellent temporal and spatial spectroscopic resolution of limiter 3. Narrowband interference filters in front of the camera yielded C-III and H{sub α} photon flux, and the filterscope system provided H{sub α}, H{sub β}, He-I, He-II, C-II, and visible bremsstrahlung data. The filterscopes made additional measurements of several points on the W7-X vacuum vessel to yield wall recycling fluxes. The resulting photon flux from both the visible camera and filterscopes can then be compared to an EMC3-EIRENE synthetic diagnostic [H. Frerichs et al., “Synthetic plasma edge diagnostics for EMC3-EIRENE, highlighted for Wendelstein 7-X,” Rev. Sci. Instrum. (these proceedings)] to infer both a limiter particle flux and wall particle flux, both of which will ultimately be used to infer the complete particle balance and particle confinement time τ{sub P}.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

NASA NTRS1989

Siphon flows in isolated magnetic flux tubes. 3: The equilibrium path of the flux tube arch

The arched equilibrium path of a thin magnetic flux tube in a plane-stratified, nonmagnetic atmosphere is calculated for cases in which the flux tube contains a steady siphon flow. The large scale mechanical equilibrium of the flux tube involves a balance among the magnetic buoyancy force, the net magnetic tension force due to the curvature of the flux tube axis, and the inertial (centrifugal) force due to the siphon flow along curved streamlines. The ends of the flux tube are assumed to be pinned down by some other external force. Both isothermal and adiabatic siphon flows are considered for flux tubes in an isothermal external atmosphere. For the isothermal case, in the absence of a siphon flow the equilibrium path reduces to the static arch calculated by Parker (1975, 1979). The presence of a siphon flow causes the flux tube arch to bend more sharply, so that magnetic tension can overcome the additional straightening effect of the inertial force, and reduces the maximum width of the arch. The curvature of the arch increases as the siphon flow speed increases. For a critical siphon flow, with supercritical flow in the downstream leg, the arch is asymmetric, with greater curvature in the downstream leg of the arch. Adiabatic flow have qualitatively similar effects, except that adiabatic cooling reduces the buoyancy of the flux tube and thus leads to significantly wider arches. In some cases the cooling is strong enough to create negative buoyancy along sections of the flux tube, requiring upward curvature of the flux tube path along these sections and sometimes leading to unusual equilibrium paths of periodic, sinusoidal form.

Thomas, John H.↗

DOE OSTI2015

Characterization of a 6 kW high-flux solar simulator with an array of xenon arc lamps capable of concentrations of nearly 5000 suns

A systematic methodology for characterizing a novel and newly fabricated high-flux solar simulator is presented. The high-flux solar simulator consists of seven xenon short-arc lamps mounted in truncated ellipsoidal reflectors. Characterization of spatial radiative heat flux distribution was performed using calorimetric measurements of heat flow coupled with CCD camera imaging of a Lambertian target mounted in the focal plane. The calorimetric measurements and images of the Lambertian target were obtained in two separate runs under identical conditions. Detailed modeling in the high-flux solar simulator was accomplished using Monte Carlo ray tracing to capture radiative heat transport. A least-squares regression model was used on the Monte Carlo radiative heat transfer analysis with the experimental data to account for manufacturing defects. The Monte Carlo ray tracing was calibrated by regressing modeled radiative heat flux as a function of specular error and electric power to radiation conversion onto measured radiative heat flux from experimental results. Specular error and electric power to radiation conversion efficiency were 5.92 ± 0.05 mrad and 0.537 ± 0.004, respectively. An average radiative heat flux with 95% errors bounds of 4880 ± 223 kW ⋅ m{sup −2} was measured over a 40 mm diameter with a cavity-type calorimeter with an apparent absorptivity of 0.994. The Monte Carlo ray-tracing resulted in an average radiative heat flux of 893.3 kW ⋅ m{sup −2} for a single lamp, comparable to the measured radiative heat fluxes with 95% error bounds of 892.5 ± 105.3 kW ⋅ m{sup −2} from calorimetry.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗