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Thermal and Elastic Properties of Ce{sub x}Th{sub 1 –x}O{sub 2} Mixed Oxides: A Self-Consistent Thermodynamic Approach

A self-consistent thermodynamic model of thorium dioxide and its dilute alloy Ce{sub 0.05}Th{sub 0.95}O{sub 2}, which are of great importance for atomic power engineering, has been constructed based on generalized Debye and Einstein models. In terms of this model, the temperature dependences of the bulk modulus, density, and heat capacity of the systems have been obtained. The anharmonicity of the acoustical and optical modes of the crystal lattice and its change in passing from ThO{sub 2} to Ce{sub 0.05}Th{sub 0.95}O{sub 2} has been discussed.

36 MATERIALS SCIENCE↗

Numerical simulation of hypersonic inlet flows with equilibrium or finite rate chemistry

An efficient numerical program incorporated with comprehensive high temperature gas property models has been developed to simulate hypersonic inlet flows. The computer program employs an implicit lower-upper time marching scheme to solve the two-dimensional Navier-Stokes equations with variable thermodynamic and transport properties. Both finite-rate and local-equilibrium approaches are adopted in the chemical reaction model for dissociation and ionization of the inlet air. In the finite rate approach, eleven species equations coupled with fluid dynamic equations are solved simultaneously. In the local-equilibrium approach, instead of solving species equations, an efficient chemical equilibrium package has been developed and incorporated into the flow code to obtain chemical compositions directly. Gas properties for the reaction products species are calculated by methods of statistical mechanics and fit to a polynomial form for C(p). In the present study, since the chemical reaction time is comparable to the flow residence time, the local-equilibrium model underpredicts the temperature in the shock layer. Significant differences of predicted chemical compositions in shock layer between finite rate and local-equilibrium approaches have been observed.

Yu, Sheng-Tao↗

Comparison of Coupled Radiative Navier-Stokes Flow Solutions with the Project Fire II Flight Data

A nonequilibrium, axisymmetric, Navier-Stokes flow solver with coupled radiation has been developed to use in the design of thermal protection systems for vehicles where radiation effects are important. The present method has been compared with an existing flow and radiation solver and with the Project Fire II experimental data. Very good agreement has been obtained over the entire Fire II trajectory with the experimentally determined values of the stagnation radiation intensity in the .2 to 6.2 eV range and with the total stagnation heating. The agreement was significantly better than previous numerical predictions. The effects of a number of flow models are examined to determine which combination of physical models produces the best agreement with the experimental data. These models include radiation coupling, multi-temperature thermal models, finite-rate chemistry, and a quasi-steady-state or Boltzmann assumption for the calculation of the excited electronic states. Finally, the computational efficiency of the present model is evaluated. The radiation properties model developed for this study is shown to offer significant computational savings compared to existing codes.

Olynick, David R.↗

New Identification of the Mixed-Morphology Supernova Remnant G298.6-0.0 with Possible Gamma-Ray Association

We present an X-ray analysis on the Galactic supernova remnant (SNR) G298.6−0.0 observed with Suzaku. The X-ray image shows a center-filled structure inside a radio shell, implying that this SNR can be categorized as a mixed-morphology (MM) SNR. The spectrum is well reproduced by a single-temperature plasma model in ionization equilibrium, with a temperature of 0.78 (0.70-0.87) keV. The total plasma mass of 30M indicates that the plasma has an interstellar medium origin. The association with a GeV gamma-ray source, 3FGL J1214.0−6236, on the shell of the SNR is discussed, in comparison with other MMSNRs with GeV gamma-ray associations. It is found that the flux ratio between absorption-corrected thermal X-rays and GeV gamma-rays decreases as the physical size of MMSNRs becomes larger. The absorption-corrected thermal X-ray flux of G298.6−0.0 and the GeV gamma-ray flux of 3FGL J1214.0−6236 closely follow this trend, implying that 3FGL J1214.0−6236 is likely to be a GeV counterpart of G298.6−0.0.

ISM: supernova remnants↗

Accelerating Net Terrestrial Carbon Uptake During the Warming Hiatus Due to Reduced Respiration

The recent warming hiatus presents an excellent opportunity to investigate climate sensitivity of carbon cycle processes. Here we combine satellite and atmospheric observations to show that the rate of net biome productivity (NBP) has significantly accelerated from - 0.007 +/- 0.065 PgC yr(exp -2) over the warming period (1982 to 1998) to 0.119 +/- 0.071 PgC yr(exp -2) over the warming hiatus (19982012). This acceleration in NBP is not due to increased primary productivity, but rather reduced respiration that is correlated (r = 0.58; P = 0.0007) and sensitive ( y = 4.05 to 9.40 PgC yr(exp -1) per C) to land temperatures. Global land models do not fully capture this apparent reduced respiration over the warming hiatus; however, an empirical model including soil temperature and moisture observations better captures the reduced respiration.

Ballantyne, Ashley↗

An analytical expression for temperature in a thermodynamically consistent model with a Mie-Gruneisen equation for pressure

The objective of this paper is to develop an analytical expression for temperature in a thermodynamically consistent model with a Mie-Gruneisen equation for pressure. This expression for the temperature is obtained for both constant and variable specific heat models and can be used in common models for the material yield strength that include thermal softening due to increase in temperature. Additionally, the material parameters in the model can easily be calibrated to match known experimental data and the model has been used to determine the value of the shock pressure at the onset of melting during shock loading.

42 ENGINEERING↗

Evaluation of Mechanistic and Empirical Models against Existing FFRD and LOCA Experimental Databases

The desire of the nuclear industry to improve the economics of existing nuclear power plants has necessitated research into the potential of a phenomenon known as fuel fragmentation, relocation, and dispersal (FFRD). This phenomenon is possible during a loss-of-coolant accident (LOCA) at relatively high burnup. The Nuclear Energy Advanced Modeling and Simulation program has been developing simulation capabilities for FFRD and LOCA in the BISON fuel performance code for multiple years. This year, the effort has been focused on evaluating new lower length scale informed pulverization thresholds as well as updating and adding new empirical models for various phenomena. Models added or updated this year include a preliminary transient fission gas release model, new high-temperature Zircaloy creep models, a Zircaloy rupture opening area model, and a temperature-dependent emissivity during radiation from the fuel rod to the surrounding atmosphere. The models are verified through implementation tests to demonstrate code correctness after addition to BISON. The models are then assessed against a subset of the existing BISON validation suite for LOCA and FFRD cases. Two new cases, Studsvik Rods 192 and 193, have been added. The results indicate that the inclusion of a bubble pressure evolution model in the bubbles in the high-burnup structure has the largest impact compared to the 3D fracture criterion on reducing the calculated amount of pulverized fuel.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Machine-Learning-Based Predictive Modeling of Glass Transition Temperatures: A Case of Polyhydroxyalkanoate Homopolymers and Copolymers

Polyhydroxyalkanoate-based polymers—being ecofriendly, biosynthesizable, and economically viable and possessing a broad range of tunable properties—are currently being actively pursued as promising alternatives for petroleum-based plastics. The vast chemical complexity accessible within this class of polymers gives rise to challenges in the rational discovery of novel polymer chemistries for specific applications. Here, the burgeoning field of polymer informatics addresses this challenge via providing tools and strategies for accelerated property prediction and materials design via surrogate machine-learning models built on reliable past data. In this contribution, we use glass transition temperature T g as an example target property to demonstrate promise of the data-enabled route to accelerated learning of accurate structure–property mappings in PHA-based polymers. Our analysis uses a data set of experimentally measured T g values, polymer molecular weights, and a polydispersity index for PHA-based homo- and copolymers that was carefully assembled from the literature. A fingerprinting scheme that captures key properties based on topology, shape, and charge/polarity of specific chemical units or motifs forming the polymer backbone was devised to numerically represent the polymers. A validated statistical learning model is then developed to allow for a mapping of the polymer fingerprints onto the property space in a physically meaningful and reliable manner. Once developed, the model can not only rapidly predict the property of new PHA polymers but also provide uncertainties underlying the predictions. The model is further combined with an evolutionary-algorithm-based search strategy to efficiently identify multicomponent polymer compositions with a prespecified T g . While the present contribution is focused specifically on T g , the surrogate model development approach put forward here is general and can, in principle, be extended to a range of other properties.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Experimental and Numerical Characterization of a Cylindrical Blackbody Cavity

During hypersonic flight, high temperatures and high heat fluxes are generated on the surfaces of vehicles. The Flight Loads Laboratory (FLL) at Dryden Flight Research Center (DFRC) is equipped with a calibration furnace, capable of calibrating heat flux gages up to 1100kW per square meters, and temperature sensors up to 2600 C. One heating configuration of the calibration furnace is a cylindrical blackbody cavity. Throughout the blackbody there are temperature gradients due to various boundary conditions. These boundary conditions include resistance heating, radiant heat transfer, and conduction to water-cooled electrodes. Also, an inert gas is purged through the graphite blackbody to prevent it from oxidizing. Consequently, the various modes of heat transfer present during operation of the blackbody cavity must be well understood in order to produce accurate heat flux gage and temperature sensor calibrations for use in ground testing or flight testing of hypersonic vehicles. The first step towards understanding the heat transfer in the blackbody cavity was to perform experiments at 1100 C, with and without outer surface insulation, while taking detailed temperature measurements inside the blackbody cavity. Steady state thermal models of the blackbody cavity were then developed. These models included detailed thermal analysis using commercial thermal analysis software. Conduction, radiation, and convection were considered in the thermal models for two cases: one with the outside of the blackbody cavity insulated and the second without insulation. This paper describes the experimental and numerical efforts used to characterize the steady state operation of the blackbody cavity. It describes the analysis of the test measurements, the boundary conditions used in the numerical models, and how the models were calibrated to fit the experimental data. Effects of various uncertainties, such as material properties, and convection are discussed.Initial thermal models predicted temperatures in the deepest part of the blackbody cavity within 7 C of the measured value and produced trends comparable to the experimental data, throughout the models. Adjustment of the boundary conditions, which were included in the thermal models, produced good agreement with measured temperatures. Free and forced convection of the purge gas inside the blackbody was found to be insignificant.

Abdelmessih, Amanie N.↗

Development of constitutive models for cyclic plasticity and creep behavior of super alloys at high temperature

An uncoupled constitutive model for predicting the transient response of thermal and rate dependent, inelastic material behavior was developed. The uncoupled model assumes that there is a temperature below which the total strain consists essentially of elastic and rate insensitive inelastic strains only. Above this temperature, the rate dependent inelastic strain (creep) dominates. The rate insensitive inelastic strain component is modelled in an incremental form with a yield function, blow rule and hardening law. Revisions to the hardening rule permit the model to predict temperature-dependent kinematic-isotropic hardening behavior, cyclic saturation, asymmetric stress-strain response upon stress reversal, and variable Bauschinger effect. The rate dependent inelastic strain component is modelled using a rate equation in terms of back stress, drag stress and exponent n as functions of temperature and strain. A sequence of hysteresis loops and relaxation tests are utilized to define the rate dependent inelastic strain rate. Evaluation of the model has been performed by comparison with experiments involving various thermal and mechanical load histories on 5086 aluminum alloy, 304 stainless steel and Hastelloy X.

Haisler, W. E.↗

A coupled ground heat flux–surface energy balance model of evaporation using thermal remote sensing observations

Abstract. One of the major undetermined problems in evaporation (ET) retrieval using thermal infrared remote sensing is the lack of a physically based ground heat flux (G) model and its integration within the surface energy balance (SEB) equation. Here, we present a novel approach based on coupling a thermal inertia (TI)-based mechanistic G model with an analytical surface energy balance model, Surface Temperature Initiated Closure (STIC, version STIC1.2). The coupled model is named STIC-TI. The model is driven by noon–night (13:30 and 01:30 local time) land surface temperature, surface albedo, and a vegetation index from MODIS Aqua in conjunction with a clear-sky net radiation sub-model and ancillary meteorological information. SEB flux estimates from STIC-TI were evaluated with respect to the in situ fluxes from eddy covariance measurements in diverse ecosystems of contrasting aridity in both the Northern Hemisphere and Southern Hemisphere. Sensitivity analysis revealed substantial sensitivity of STIC-TI-derived fluxes due to the land surface temperature uncertainty. An evaluation of noontime G (Gi) estimates showed 12 %–21 % error across six flux tower sites, and a comparison between STIC-TI versus empirical G models also revealed the substantially better performance of the former. While the instantaneous noontime net radiation (RNi) and latent heat flux (LEi) were overestimated (15 % and 25 %), sensible heat flux (Hi) was underestimated (22 %). Overestimation (underestimation) of LEi (Hi) was associated with the overestimation of net available energy (RNi−Gi) and use of unclosed surface energy balance flux measurements in LEi (Hi) validation. The mean percent deviations in Gi and Hi estimates were found to be strongly correlated with satellite day–night view angle difference in parabolic and linear pattern, and a relatively weak correlation was found between day–night view angle difference versus LEi deviation. Findings from this parameter-sparse coupled G–ET model can make a valuable contribution to mapping and monitoring the spatiotemporal variability of ecosystem water stress and evaporation using noon–night thermal infrared observations from future Earth observation satellite missions such as TRISHNA, LSTM, and SBG.

Bhattacharya, Bimal K.↗

Global empirical models of ionospheric electron temperature in the upper F-region and plasmasphere based on in situ measurements from the Atmosphere Explorer-C, ISIS-1 and ISIS-2 satellites

Langmuir probe measurements of electron temperature, T sub e, in the vicinity of 300, 400, 1400 and 3000 km from the Atmosphere Explorer-C and the ISIS satellites have been employed to construct empirical models of the global distribution of T sub e at each of these altitudes. Legendre polynomials are employed to describe the observations at solstice and equinox in terms of dip latitude and local time. Sources of T sub e variations, such as solar activity, magnetic activity and longitude are found to be of second order importance, although they are resolvable in some cases by comparisons of the data with the model. The behavior of T sub e at the altitudes of these models is discussed in terms of its implications for our understanding of the energy exchange between the F-region and the plasmasphere.

Brace, L. H.↗

Analysis of the Two-Level NO PLIF Model for Low-Temperature High-Speed Flow Applications

The current work compares experimentally obtained nitric oxide (NO) laser-induced fluorescence (LIF) spectra with the equivalent spectra obtained analytically. The experimental spectra are computed from captured images of fluorescence in a gas cell and from a laser sheet passing through the fuel-air mixing flowfield produced by a high-speed fuel injector. The fuel injector is a slender strut that is currently being studied as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center. This injector is placed downstream of a Mach 6 facility nozzle, which simulates the high Mach number airflow at the entrance of a scramjet combustor, and injects helium, which is used as an inert substitute for hydrogen fuel. Experimental planar (P) LIF is obtained by using a UV laser to excite fluorescence from the NO molecules that are present in either a gas cell or the facility air used for the EIMP experiments. The experimental data are obtained for several segments of the NO fluorescence spectrum. The selected segments encompass LIF lines with rotational quantum numbers appropriate for low-to-moderate temperature flows similar to those corresponding to the nominal experimental flow conditions. The experimental LIF spectra are then evaluated from the data and compared with those obtained from the theoretical models. The theoretical spectra are obtained from LIFBASE and LINUS software, and from a simplified version of the two-level fluorescence model. The equivalent analytic PLIF images are also obtained by applying only the simplified model to the results of the Reynolds-averaged simulations (RAS) of the mixing flowfield. Good agreement between the experimental and theoretical results provides increased confidence in both the simplified LIF modeling and CFD simulations for further investigations of high-speed injector performance using this approach.

Drozda, Tomasz G.↗

Analysis of the Two-Level NO PLIF Model for Low-Temperature High-Speed Flow Applications

The current work compares experimentally obtained nitric oxide (NO) laser-induced fluorescence (LIF) spectra with the equivalent spectra obtained analytically. The experimental spectra are computed from captured images of fluorescence in a gas cell and from a laser sheet passing through the fuel-air mixing flowfield produced by a high-speed fuel injector. The fuel injector is a slender strut that is currently being studied as a part of the Enhanced Injection and Mixing Project (EIMP) at the NASA Langley Research Center. This injector is placed downstream of a Mach 6 facility nozzle, which simulates the high Mach number airflow at the entrance of a scramjet combustor, and injects helium, which is used as an inert substitute for hydrogen fuel. Experimental planar (P) LIF is obtained by using a UV laser to excite fluorescence from the NO molecules that are present in either a gas cell or the facility air used for the EIMP experiments. The experimental data are obtained for several segments of the NO fluorescence spectrum. The selected segments encompass LIF lines with rotational quantum numbers appropriate for low-to-moderate temperature flows similar to those corresponding to the nominal experimental flow conditions. The experimental LIF spectra are then evaluated from the data and compared with those obtained from the theoretical models. The theoretical spectra are obtained from LIFBASE and LINUS software, and from a simplified version of the two-level fluorescence model. The equivalent analytic PLIF images are also obtained by applying only the simplified model to the results of the Reynolds-averaged simulations (RAS) of the mixing flowfield. Good agreement between the experimental and theoretical results provides increased confidence in both the simplified LIF modeling and CFD simulations for further investigations of high-speed injector performance using this approach.

Tomasz G Drozda↗

Measurements and modeling of high-temperature, high-pressure density for binary mixtures of propane with n-decane and propane with n-eicosane

Binary mixture density data are reported for propane (C 3 ) with n-decane (C 10 ) and with n-eicosane (C 20 ) at T = (320 to 525) K and pressures to 265 MPa. The (C 3 + C 10 ) mixture density data are in good agreement with available literature data to 70 MPa, which is the maximum reported literature pressure. We found that there are no available binary mixture density data to compare to the (C 3 + C 20 ) mixture density data reported in the present study. Furthermore, the mixture density data are correlated with the Tait equation to facilitate interpolation of the data at different experimental conditions. Equations of state that are suitable for reservoir simulations are used to model the reported data. These models include the Peng–Robinson equation of state (PREoS), a volume-translated PREoS fit to high temperature, high pressure (HTHP) pure component density data, the PC-SAFT EoS, and modifications of the PC-SAFT EoS developed for better representation of HTHP data. As a result, the models give superior density predictions for (C 3 + C 10 ) mixtures compared to (C 3 + C 20 ) mixtures.

02 PETROLEUM↗

Geologic Reservoir Content Model from Low-Temperature Geothermal Play Fairway Analysis for the Appalachian Basin

This dataset contains the known hydrocarbon reservoirs within the study area of the Geothermal Play Fairway Analysis for the Appalachian Basin (GPFA-AB) as part of Phase 1, Natural Reservoirs Quality Analysis. The final values for Reservoir Productivity Index (RPI) and uncertainty (in terms of coefficient of variation, CV) are included. RPI is in units of liters per MegaPascal-second (L/MPa-s), quantified using permeability, thickness of formation, and depth. A higher RPI is more optimal. Coefficient of Variation (CV) is the ratio of the standard deviation to the mean RPI for each reservoir. A lower CV is more optimal. Details on these metrics can be found in the Reservoirs_Methodology_Memo.pdf uploaded in the associated "Natural Reservoir Analysis" dataset linked below.

15 GEOTHERMAL ENERGY↗

A New Global Empirical Model of the Electron Temperature with the Inclusion of the Solar Activity Variations for IRI

A data-base of electron temperature (T(sub e)) comprising of most of the available LEO satellite measurements in the altitude range from 350 to 2000 km has been used for the development of a new global empirical model of T(sub e) for the International Reference Ionosphere (IRI). For the first time this will include variations with solar activity. Variations at five fixed altitude ranges centered at 350, 550, 850, 1400, and 2000 km and three seasons (summer, winter, and equinox) were represented by a system of associated Legendre polynomials (up to the 8th order) in terms of magnetic local time and the earlier introduced in vdip latitude. The solar activity variations of T(sub e) are represented by a correction term of the T(sub e) global pattern and it has been derived from the empirical latitudinal profiles of T(sub e) for day and night (Truhlik et al., 2009a). Comparisons of the new T(sub e) model with data and with the IRI 2007 Te model show that the new model agrees well with the data generally within standard deviation limits and that the model performs better than the current IRI T(sub e) model.

Truhlik, V.↗

Long-Term Global Morphology of Gravity Wave Activity Using UARS Data

Progress in research into the global morphology of gravity wave activity using UARS data is described for the period March-June, 1998. Highlights this quarter include further progress in the analysis and interpretation of CRISTA temperature variances; model-generated climatologies of mesospheric gravity wave activity using the HWM-93 wind and temperature model; and modeling of gravity wave detection from space-based platforms. Preliminary interpretations and recommended avenues for further analysis are also described.

Eckermann, Stephen D.↗