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Long Hole Film Cooling Dataset for CFD Development : Infrared Thermography and Thermocouple Surveys - Part 1

An experiment investigating flow and heat transfer of long (length to diameter ratio of 18) cylindrical film cooling holes has been completed. In this paper, the thermal field in the flow and on the surface of the film cooled flat plate is presented for nominal freestream turbulence intensities of 1.5 and 8 percent. The holes are inclined at 30deg above the downstream direction, injecting chilled air of density ratio 1.0 onto the surface of a flat plate. The diameter of the hole is 0.75 in. (0.01905 m) with center to center spacing (pitch) of 3 hole diameters. Coolant was injected into the mainstream flow at nominal blowing ratios of 0.5, 1.0, 1.5, and 2.0. The Reynolds number of the freestream was approximately 11,000 based on hole diameter. Thermocouple surveys were used to characterize the thermal field. Infrared thermography was used to determine the adiabatic film effectiveness on the plate. Hotwire anemometry was used to provide flowfield physics and turbulence measurements. The results are compared to existing data in the literature. The aim of this work is to produce a benchmark dataset for Computational Fluid Dynamics (CFD) development to eliminate the effects of hole length to diameter ratio and to improve resolution in the near-hole region. In this report, a Time-Filtered Navier Stokes (TFNS), also known as Partially Resolved Navier Stokes (PRNS), method that was implemented in the Glenn-HT code is used to model coolant-mainstream interaction. This method is a high fidelity unsteady method that aims to represent large scale flow features and mixing more accurately.

Shyam, Vikram↗

Component separation of a isotropic Gravitational Wave Background

A Gravitational Wave Background (GWB) is expected in the universe from the superposition of a large number of unresolved astrophysical sources and phenomena in the early universe. Each component of the background (e.g., from primordial metric perturbations, binary neutron stars, milli-second pulsars etc.) has its own spectral shape. Many ongoing experiments aim to probe GWB at a variety of frequency bands. In the last two decades, using data from ground-based laser interferometric gravitational wave (GW) observatories, upper limits on GWB were placed in the frequency range of 0∼ 50−100 Hz, considering one spectral shape at a time. However, one strong component can significantly enhance the estimated strength of another component. Hence, estimation of the amplitudes of the components with different spectral shapes should be done jointly. Here we propose a method for 'component separation' of a statistically isotropic background, that can, for the first time, jointly estimate the amplitudes of many components and place upper limits. The method is rather straightforward and needs negligible amount of computation. It utilises the linear relationship between the measurements and the amplitudes of the actual components, alleviating the need for a sampling based method, e.g., Markov Chain Monte Carlo (MCMC) or matched filtering, which are computationally intensive and cumbersome in a multi-dimensional parameter space. Using this formalism we could also study how many independent components can be separated using a given dataset from a network of current and upcoming ground based interferometric detectors.

79 ASTRONOMY AND ASTROPHYSICS↗

TU-G-BRD-02: Automated Systematic Quality Assurance Program for Radiation Oncology Information System Upgrades

Purpose: To: (1) describe an independent, automated, systematic software-based protocol for verifying clinical data accuracy/integrity for mitigation of data corruption/loss risks following radiation oncology information system (ROIS) upgrades; and (2) report on application of this approach in an academic/community practice environment. Methods: We propose a robust approach to perform quality assurance on the ROIS after an upgrade, targeting four data sources: (1) ROIS relational database; (2) ROIS DICOM interface; (3) ROIS treatment machine data configuration; and (4) ROIS-generated clinical reports. We investigated the database schema for differences between pre-/post-upgrade states. Paired DICOM data streams for the same object (such as RT-Plan/Treatment Record) were compared between pre-/post-upgrade states for data corruption. We examined machine configuration and related commissioning data files for changes and corruption. ROIS-generated treatment appointment and treatment parameter reports were compared to ensure patient encounter and treatment plan accuracy. This protocol was supplemented by an end-to-end clinical workflow test to verify essential ROI functionality and integrity of components interfaced during patient care chain of activities. We describe the implementation of this protocol during a Varian ARIA system upgrade at our clinic. Results: We verified 1,638 data tables with 2.4 billion data records. For 222 under-treatment patients, 605 DICOM RT plans and 13,480 DICOM treatment records retrieved from the ROIS DICOM interface were compared, with no differences in fractions, doses delivered, or treatment parameters. We identified 82 new data tables and 78 amended/deleted tables consistent with the upgrade. Reports for 5,073 patient encounters over a 2-week horizon were compared and were identical to those before the upgrade. Content in 12,237 xml machine files was compared, with no differences identified. Conclusion: An independent QA/validation approach for ROIS upgrades was developed and implemented at our clinic. The success of this approach ensures a robust QA of ROIS upgrades without manual paper/electronic checks and associated intensive labor.

60 APPLIED LIFE SCIENCES↗

Laboratory instrumentation and techniques for characterizing multi-junction solar cells for space applications

Multi-junction solar cells are attractive for space applications because they can be designed to convert a larger fraction of AMO into electrical power at a lower cost than single-junction cells. The performance of multi-junction cells is much more sensitive to the spectral irradiance of the illuminating source than single-junction cells. The design of high efficiency multi-junction cells for space applications requires matching the optoelectronic properties of the junctions to AMO spectral irradiance. Unlike single-junction cells, it is not possible to carry out quantum efficiency measurements using only a monochromatic probe beam and determining the cell short-circuit current assuming linearity of the quantum efficiency. Additionally, current-voltage characteristics can not be calculated from measurements under non-AMO light sources using spectral-correction methods. There are reports in the literature on characterizing the performance of multi junction cells by measuring and convoluting the quantum efficiency of each junction with the spectral irradiance; the technique is of limited value for the characterization of cell performance under AMO power-generating conditions. We report the results of research to develop instrumentation and techniques for characterizing multi junction solar cells for space . An integrated system is described which consists of a standard lamp, spectral radiometer, dual-source solar simulator, and personal computer based current-voltage and quantum efficiency equipment. The spectral radiometer is calibrated regularly using the tungsten-halogen standard lamp which has a calibration based on NIST scales. The solar simulator produces the light bias beam for current-voltage and cell quantum efficiency measurements. The calibrated spectral radiometer is used to 'fit' the spectral irradiance of the dual-source solar simulator to WRL AMO data. The quantum efficiency apparatus includes a monochromatic probe beam for measuring the absolute cell quantum efficiency at various voltage biases, including the voltage bias corresponding to the maximum-power point under AMO light bias. The details of the procedures to 'fit' the spectral irradiance to AMO will be discussed. An assessment of the role of the accuracy of the 'fit' of the spectral irradiance and probe beam intensity on measured cell characteristics will be presented. quantum efficiencies were measured with both spectral light bias and AMO light bias; the measurements show striking differences. Spectral irradiances were convoluted with cell quantum efficiencies to calculate cell currents as function of voltage. The calculated currents compare with measured currents at the 1% level. Measurements on a variety of multi-junction cells will be presented. The dependence of defects in junctions on cell quantum efficiencies measured under light and voltage bias conditions will be presented. Comments will be made on issues related to standards for calibration, and limitations of the instrumentation and techniques. Expeditious development of multi-junction solar cell technology for space presents challenges for cell characterization in the laboratory.

Woodyard, James R.↗

A New Method for Estimating the Single Scattering Phase Functions of Regolith Grains

Hapke's photometric model has been widely used in solar system remote sensing applications for nearly two decades. Recently, Hapke extended his model to describe the coherent-backscatter opposition effect and multiple-scattering by particles with anisotropic single particle phase functions (SPPF's). A practical difficulty for retrieving Hapke's model parameters from typical planet, satellite, and asteroid photometry data sets is that the model employs a large number of adjustable parameters (at least eight) that can be reliably constrained only for a small number of planetary data sets in which both disk-resolved and whole-disk observations are available from opposition to very large phase angles. The present work aims to reduce the number of adjustable parameters and preserve (or even enhance) the model's accuracy and usefulness by expressing Hapke's parameters in terms of more fundamental physical properties on which they mutually depend. The most difficult part of this task, described here, is to develop a simple method for computing the effective SPPF for structurally complex regolith grains from optical constants, grain-size distribution, and average regolith porosity. The development of light-scattering models for irregularly shaped particles is a large, complex subject and many sophisticated methods, such as Discrete Dipole Approximation (DDA) and Monte-Carlo simulations, have been explored elsewhere. Many of these methods are computationally intensive and probably impractical for routine substitution in Hapke's model. Here, progress is reported in developing a practical, semi-empirical method for estimating the directional scattering behavior (i.e. SPPF) of irregular regolith grains. The method employs Optical Transfer Function (OTF) techniques to model how the structural complexity of regolith particles broaden and attenuate the angular distribution of scattered light relative to that expected from ideal spherical particles of equivalent size and composition.

Helfenstein, P.↗

Physics-Informed Learning for Predictive Multi-Scale Modeling of Water Cycle and Extreme Events

Climate and earth system models have limited skill in predicting water cycle and associated extremes such as intense rain- and wind-producing storms and resulting hazards across all timescales. Water cycle predictions are inherently limited by the predictability of the chaotic system, but large potential for improving predictions remains untapped due to limited use of data-model integration to improve predictive modeling. This white paper proposes a hybrid data-physics paradigm based on physics-informed neural networks (PINNs) to improve the Energy Exascale Earth System Model (E3SM). In particular, we aim to predict and quantify uncertainties of water cycle processes and low probability high impact events.

54 ENVIRONMENTAL SCIENCES↗

Utilizing computer vision and artificial intelligence algorithms to predict and design the mechanical compression response of direct ink write 3D printed foam replacement structures

Additive Manufacturing (AM) of porous polymeric materials, such as foams, recently became a topic of intensive research due their unique combination of low density, impressive mechanical properties, and stress dissipation capabilities. Conventional methods for fabricating foams rely on complex and stochastic processes, making it challenging to achieve precise architectural control of structured porosity. In contrast, AM provides access to a wide range of printable materials, where precise spatial control over structured porosity can be modulated during the fabrication process enabling the production of foam replacement structures (FRS). Current approaches for designing FRS are based on intuitive understanding of their properties or an extensive number of finite element method (FEM) simulations. These approaches, however, are computationally expensive and time consuming. As such, in this work, we present a novel methodology for determining the mechanical compression response of direct ink write (DIW) 3D printed FRS using a simple cross-sectional image. By obtaining measurement data for a relatively small number of samples, an artificial neural network (ANN) was trained, and a computer vision algorithm was used to make inferences about foam compression characteristics from a single cross-sectional image. Finally, a genetic algorithm (GA) was used to solve the inverse design problem, generating the AM printing parameters that an engineer should use to achieve a desired compression response from a DIW printed FRS. The methods developed herein present an avenue for entirely autonomous design and analysis of additively manufactured structures using artificial intelligence.

36 MATERIALS SCIENCE↗

WE-AB-BRA-12: Post-Implant Dosimetry in Prostate Brachytherapy by X-Ray and MRI Fusion

Purpose: For post-implant dosimetric assessment after prostate brachytherapy, CT-MR fusion approach has been advocated due to the superior accuracy on both seeds localization and soft tissue delineation. However, CT deposits additional radiation to the patient, and seed identification in CT requires manual review and correction. In this study, we propose an accurate, low-dose, and cost-effective post-implant dosimetry approach based on X-ray and MRI. Methods: Implanted seeds are reconstructed using only three X-ray fluoroscopy images by solving a combinatorial optimization problem. The reconstructed seeds are then registered to MR images using an intensity-based points-to-volume registration. MR images are first pre-processed by geometric and Gaussian filtering, yielding smooth candidate seed-only images. To accommodate potential soft tissue deformation, our registration is performed in two steps, an initial affine followed by local deformable registrations. An evolutionary optimizer in conjunction with a points-to-volume similarity metric is used for the affine registration. Local prostate deformation and seed migration are then adjusted by the deformable registration step with external and internal force constraints. Results: We tested our algorithm on twenty patient data sets. For quantitative evaluation, we obtained ground truth seed positions by fusing the post-implant CT-MR images. Seeds were semi-automatically extracted from CT and manually corrected and then registered to the MR images. Target registration error (TRE) was computed by measuring the Euclidean distances from the ground truth to the closest registered X-ray seeds. The overall TREs (mean±standard deviation in mm) are 1.6±1.1 (affine) and 1.3±0.8 (affine+deformable). The overall computation takes less than 1 minute. Conclusion: It has been reported that the CT-based seed localization error is ∼1.6mm and the seed localization uncertainty of 2mm results in less than 5% deviation of prostate D90. The average error of 1.3mm with our system outperforms the CT-based approach and is considered well within the clinically acceptable limit. Supported in part by NIH/NCI grant 5R01CA151395. The X-ray-based implant reconstruction method (US patent No. 8,233,686) was licensed to Acoustic MedSystems Inc.

60 APPLIED LIFE SCIENCES↗

A statistical equilibrium analysis of interstellar CO toward zeta Ophiuchi as recorded by the Goddard High Resolution Spectrograph

High-resolution and high signal-to-noise ratio echelle observations made by the Goddard High Resolution Spectrograph (GHRS), aboard the Hubble Space Telescope, of molecular (12)C(16)O and (13)C(16)O in the absorbing gas toward zeta Oph are reported. A statistical equilibrium model, incorporating a different way of dealing with the radiation field in the interstellar clouds, is presented. Based upon previous observations, two velocity components of the gas at V(sub LSR) = - 0.79 and 0.39 km/s, corresponding to solar velocity = -14.6 and -13.4 km/s, together with three different sets of velocity dispersions are adopted in our models. The ratios of the computed emergent intensities (I(sub em)) resulting from the emission lines in the lowest transitions (J = 1 goes to 0, 2 goes to 1, 3 goes to 2) of ground state of CO are presented. The ratios for the two velocity components, (I(sub em)(1 goes to 0)(sub 1))/(I(sub em)(1 goes to 0)(sub 2)), and (I(sub em)(2 goes to 1)(sub 1))/I(sub em)(1 goes to 0)(sub 1)) are comparable to the observed corrected antenna temperature ratios. From the solutions to the statistical equilibrium equations including the six lowest rotational transitions of CO and from multiple Voigt profile fits, the observed (12)CO and (13)CO UV abroption features are successfully reproduced. Profile fitting and double cloud curve-of-growth analysis using the GHRS and Copernicus data indicate that the abundance of CO is (1.8 +/- 0.2) x 10(exp 15)/sq cm. The most recently measured wavelength of the (6 goes to 0) (13)CO band by Haridass & Huber (R(0) = 1370.616 A) shows that the tentative (13)CO features in the GHRS data are unquestionably identified. If there is no blending from any other unknown interstellar species, the isotope ratio of (12)CO/(13)CO is approximately 82 +/- 25. This result is close to the terrestrial value of 90 and implies that the CO is not substantially fractionated, and (12)C(16)O experiences little preferential self-shielding through the selective isotopic photodissociation process. This conclusion differs strongly with that of Sheffer et al. Other implications of the results are discussed.

Lyu, Cheng-Hsuan↗

Mars Global Surveyor Thermal Emission Spectrometer (TES) Observations: Atmospheric Temperatures During Aerobraking and Science Phasing

Between September 1997, when the Mars Global Surveyor spacecraft arrived at Mars, and September 1998 when the final aerobraking phase of the mission began, the Thermal Emission Spectrometer (TES) has acquired an extensive data set spanning approximately half of a Martian year. Nadir-viewing spectral measurements from this data set within the 15-micrometers CO2 absorption band are inverted to obtain atmospheric temperature profiles from the surface up to about the 0.1 mbar level. The computational procedure used to retrieve the temperatures is presented. Mean meridional cross sections of thermal structure are calculated for periods of time near northern hemisphere fall equinox, winter solstice, and spring equinox, as well as for a time interval immediately following the onset of the Noachis Terra dust storm. Gradient thermal wind cross sections are calculated from the thermal structure. Regions of possible wave activity are identified using cross sections of rms temperature deviations from the mean. Results from both near-equinox periods show some hemispheric asymmetry with peak eastward thermal winds in the north about twice the magnitude of those in the south. The results near solstice show an intense circumpolar vortex at high northern latitudes and waves associated with the vortex jet core. Warming of the atmosphere aloft at mid-northern latitudes suggests the presence of a strong cross-equatorial Hadley circulation. Although the Noachis dust storm did not become global in scale, strong perturbations to the atmospheric structure are found, including an enhanced temperature maximum aloft at high northern latitudes resulting from intensification of the Hadley circulation. TES results for the various seasonal conditions are compared with published results from Mars general circulation models, and generally good qualitative agreement is found.

Conrath, Barney J.↗

Long Hole Film Cooling Dataset for CFD Development - Flow and Film Effectiveness

An experiment investigating flow and heat transfer of long (length to diameter ratio of 18) cylindrical film cooling holes has been completed. In this paper, the thermal field in the flow and on the surface of the film cooled flat plate is presented for nominal freestream turbulence intensities of 1.5 and 8 percent. The holes are inclined at 30 deg above the downstream direction, injecting chilled air of density ratio 1.0 onto the surface of a flat plate. The diameter of the hole is 0.75 in. (approx. 0.02 m) with center to center spacing (pitch) of 3 hole diameters. Coolant was injected into the mainstream flow at nominal blowing ratios of 0.5, 1.0, 1.5, and 2.0. The Reynolds number of the freestream was approximately 11,000 based on hole diameter. Thermocouple surveys were used to characterize the thermal field. Infrared thermography was used to determine the adiabatic film effectiveness on the plate. Hotwire anemometry was used to provide flowfield physics and turbulence measurements. The results are compared to existing data in the literature. The aim of this work is to produce a benchmark dataset for Computational Fluid Dynamics (CFD) development to eliminate the effects of hole length to diameter ratio and to improve resolution in the near-hole region. In this report, a Time Filtered Navier Stokes (TFNS), also known as Partially Resolved Navier Stokes (PRNS), method that was implemented in the Glenn-HT code is used to model coolant-mainstream interaction. This method is a high fidelity unsteady method that aims to represent large scale flow features and mixing more accurately.

Shyam, Vikram↗

Bioplastic design using multitask deep neural networks

Abstract Non-degradable plastic waste jeopardizes our environment, yet our modern lifestyle and current technologies are impossible to sustain without plastics. Bio-synthesized and biodegradable alternatives such as polyhydroxyalkanoates (PHAs) have the potential to replace large portions of the world’s plastic supply with cradle-to-cradle materials, but their chemical complexity and diversity limit traditional resource-intensive experimentation. Here, we develop multitask deep neural network property predictors using available experimental data for a diverse set of nearly 23,000 homo- and copolymer chemistries. Using the predictors, we identify 14 PHA-based bioplastics from a search space of almost 1.4 million candidates which could serve as potential replacements for seven petroleum-based commodity plastics that account for 75% of the world’s yearly plastic production. We also discuss possible synthesis routes for the identified promising materials.

36 MATERIALS SCIENCE↗

TU-A-9A-10: Verification of Photoacoustic Computed Tomography Perfusion Imaging Using DCE-CT

Purpose: We propose to verify quantifiable perfusion information generated by a Photoacoustic Computed Tomography (PCT) scanner using Dynamic Contrast-Enhanced CT (DCE-CT), and to investigate physicsbased models of acoustic properties of tissue and photon transport to improve quantification. These corrections first necessitate a skin identifying algorithms to reduce speed-of-sound blurring and empirical photon correction methods. Methods: Xenograft mice (n=5) of breast cancer was imaged using DCE-CT which was followed by DCE-PCT. To obtain CT perfusion data, each mouse was i.v. injected (0.2mL Isovue @0.5mL/min) and subsequent radio-opaque time curves fit to a 2-compartmental model on a voxel-wise basis. For DCE-PCT, different concentrations of ICG (250, 125, and 62.5 micro-Molar) were injected at the same rate, but also acquired at different sampling rates (3, 6, and 12 seconds). The time intensity curves from PCT were fit to a 1-compartmental model on a voxel by voxel basis. The images were coregistered (Oncentra) based on the structural similarities of the tumor vasculature after which we compared both the contrastenhanced dynamics and the vascular physiology. Results: Moderate to high doses of ICG impact the washin phase of the PCT contrast due to photon losses as a function of depth. A semi-automatic algorithm has been developed to identify the skin margin, and subsequent MC and empirical models of photon transport and variations in speed-of-sound are being evaluated. Conclusion: From our results we find that there is a need to apply photon and speed-of-sound corrections to our PCT data to improve the quantifiable image data at depth in the tumor for PCT. The dose and injection rate may help in reducing large systematic effects. Our project is partially funded by a NIH SBIR grant.

60 APPLIED LIFE SCIENCES↗

Characteristics and Preliminary Observations of the Influence of Electromyostimulation on the Size and Function of Human Skeletal Muscle During 30 Days of Simulated Microgravity

During 30 days (d) of bedrest, the practicality of using Elec- troMyoStimulation (EMS) as a deterrent to atrophy and strength loss of lower limb musculature was examined. An EMS system was developed that provided variable but quantifiable levels of EMS, and measured torque. The dominant log of three male subjects was stimulated twice daily in a 3-d on/1-d off cycle during bedrest. The non-dominant leg of each subject acted as a control. A stimulator, using a 0.3 ms monophasic 60 Hz pulse waveform, activated muscle tissue for 4 s. The output waveform from the stimulator was sequenced to the Knee Extensors (KE), Knee Flex- ors (KF), Ankle Extensors (AE), and Ankle Flexors (AF), and caused three isometric contractions of each muscle group per minute. Subject tolerance determined EMS Intensity. Each muscle group received four 5-min bouts of EMS each session with a 10 -min rest between bouts. EMS and torque levels for each muscle action were recorded directly an a computer. Overall average EMS Intensity was 197, 197, 195, and 188 mA for the KE, KF, AF, and AE, respectively. Overall average torque development for these muscle groups was 70, 16, 12, and 27 Nm, respectively. EMS intensity doubled during the study, and average torque increased 2.5 times. Average maximum torque throughout a session reached 54% of maximal voluntary for the KE and 29% for the KF. Reductions in leg volume, muscle compartment size, cross-sectional area of slow and fast-twitch fibers, strength, and aerobic enzyme activities, and increased log compliance were attenuated in the legs which received EMS during bedrest. These results indicate that similar EMS levels induce different torques among different muscle groups and that repeated exposure to EMS increases tolerance and torque development. Longer orien- tation periods, therefore, may enhance its effectiveness. Our preliminary data suggest that the efficacy of EMS as an effective countermeasure for muscle atrophy and strength loss during long duration space travel warrants further investigation.

Duvoisin, Marc R.↗

Highly Parallel Computing Architectures by using Arrays of Quantum-dot Cellular Automata (QCA): Opportunities, Challenges, and Recent Results

There has been significant improvement in the performance of VLSI devices, in terms of size, power consumption, and speed, in recent years and this trend may also continue for some near future. However, it is a well known fact that there are major obstacles, i.e., physical limitation of feature size reduction and ever increasing cost of foundry, that would prevent the long term continuation of this trend. This has motivated the exploration of some fundamentally new technologies that are not dependent on the conventional feature size approach. Such technologies are expected to enable scaling to continue to the ultimate level, i.e., molecular and atomistic size. Quantum computing, quantum dot-based computing, DNA based computing, biologically inspired computing, etc., are examples of such new technologies. In particular, quantum-dots based computing by using Quantum-dot Cellular Automata (QCA) has recently been intensely investigated as a promising new technology capable of offering significant improvement over conventional VLSI in terms of reduction of feature size (and hence increase in integration level), reduction of power consumption, and increase of switching speed. Quantum dot-based computing and memory in general and QCA specifically, are intriguing to NASA due to their high packing density (10(exp 11) - 10(exp 12) per square cm ) and low power consumption (no transfer of current) and potentially higher radiation tolerant. Under Revolutionary Computing Technology (RTC) Program at the NASA/JPL Center for Integrated Space Microelectronics (CISM), we have been investigating the potential applications of QCA for the space program. To this end, exploiting the intrinsic features of QCA, we have designed novel QCA-based circuits for co-planner (i.e., single layer) and compact implementation of a class of data permutation matrices, a class of interconnection networks, and a bit-serial processor. Building upon these circuits, we have developed novel algorithms and QCA-based architectures for highly parallel and systolic computation of signal/image processing applications, such as FFT and Wavelet and Wlash-Hadamard Transforms.

Fijany, Amir↗

NEQAIRv14.0 Release Notes: Nonequilibrium and Equilibrium Radiative Transport Spectra Program

NEQAIR v14.0 is the first parallelized version of NEQAIR. Starting from the last version of the code that went through the internal software release process at NASA Ames (NEQAIR 2008), there have been significant updates to the physics in the code and the computational efficiency. NEQAIR v14.0 supersedes NEQAIR v13.2, v13.1 and the suite of NEQAIR2009 versions. These updates have predominantly been performed by Brett Cruden and Aaron Brandis from ERC Inc at NASA Ames Research Center in 2013 and 2014. A new naming convention is being adopted with this current release. The current and future versions of the code will be named NEQAIR vY.X. The Y will refer to a major release increment. Minor revisions and update releases will involve incrementing X. This is to keep NEQAIR more in line with common software release practices. NEQAIR v14.0 is a standalone software tool for line-by-line spectral computation of radiative intensities and/or radiative heat flux, with one-dimensional transport of radiation. In order to accomplish this, NEQAIR v14.0, as in previous versions, requires the specification of distances (in cm), temperatures (in K) and number densities (in parts/cc) of constituent species along lines of sight. Therefore, it is assumed that flow quantities have been extracted from flow fields computed using other tools, such as CFD codes like DPLR or LAURA, and that lines of sight have been constructed and written out in the format required by NEQAIR v14.0. There are two principal modes for running NEQAIR v14.0. In the first mode NEQAIR v14.0 is used as a tool for creating synthetic spectra of any desired resolution (including convolution with a specified instrument/slit function). The first mode is typically exercised in simulating/interpreting spectroscopic measurements of different sources (e.g. shock tube data, plasma torches, etc.). In the second mode, NEQAIR v14.0 is used as a radiative heat flux prediction tool for flight projects. Correspondingly, NEQAIR has also been used to simulate the radiance measured on previous flight missions. This report summarizes the database updates, corrections that have been made to the code, changes to input files, parallelization, the current usage recommendations, including test cases, and an indication of the performance enhancements achieved.

Radiation Solver↗

NEQAIR v15.0 Release Notes: Nonequilibrium and Equilibrium Radiative Transport and Spectra Program

NEQAIR v15.0 provides the first steps to improved coupling between NEQAIR and the DPLR CFD code, which will be fully realized in v15.1. The plan is to release NEQAIR v15.1 and DPLR 4.05 at the same time. The improvements implemented in NEQAIR v15.0 have focused on improving stability, solution robustness, usability and providing different options for running the code. It is also the first version of the code to have a new input file and line of sight format since 2009. Backward compatibility with previous formats of the input files (neqair.inp and LOS.dat) has also been provided. NEQAIR v15.0 supersedes the prerelease of this version, as well as NEQAIR v14.0, v13.2, v13.1 and the suite of NEQAIR2009 versions. These updates have predominantly been performed by Brett Cruden and Aaron Brandis from AMA Inc at NASA Ames Research Center between 2016 and 2018. NEQAIR v15.0 is a standalone software tool for line-by-line spectral computation of radiative intensities and/or radiative heat flux, with one-dimensional transport of radiation. In order to accomplish this, NEQAIR v15.0, as in previous versions, requires the specification of distances (in cm), temperatures (in K) and number densities (in parts/cc) of constituent species along lines of sight. Therefore, it is assumed that flow quantities have been extracted from flow fields computed using other tools, such as CFD codes like DPLR or LAURA, and that lines of sight have been constructed and written out in the format required by NEQAIR v15.0. There are two principal modes for running NEQAIR v15.0. In the first mode NEQAIR v15.0 is used as a tool for creating synthetic spectra of any desired resolution (including convolution with a specified instrument/slit function). The first mode is typically exercised in simulating/interpreting spectroscopic measurements of different sources (e.g. shock tube data, plasma torches, etc.). In the second mode, NEQAIR v15.0 is used as a radiative heat flux prediction tool for flight projects. Correspondingly, NEQAIR has also been used to simulate the radiance measured on previous flight missions. This report summarizes the database updates, corrections that have been made to the code, changes to input files, parallelization, the current usage recommendations, including test cases, and an indication of the performance enhancements achieved.

Brandis, Aaron M.↗

Development of TDLAS for Water Vapor Concentration Measurement during VHTR Steam Ingress

Very-high-temperature reactors (VHTR) utilize a graphite-moderated, helium-cooled design that provides higher efficiencies and a low-carbon source of process heat (>700 deg. C) for many industrial applications. Safety concerns have led to extensive accident condition investigations. Steam generator heat-exchanger tube rupture accidents (SGTR) can lead to increased reactor core steam density, which causes neutron slowing-down and chemical corrosion of the graphite fuel elements and structural columns. It is important to be able to computationally model the propagation of steam throughout the lower plenum and nuclear reactor core, but experimental data is needed to validate such models. The primary objective of this project is to instrument a scaled down experiment of a VHTR designed by Ohio State University (OSU), with tunable diode laser absorption spectroscopy (TDLAS) diagnostics to measure steam concentration changes and map how water vapor propagates through the test facility's lower plenum and core. The basic principle of absorption spectroscopy is based on a molecular species ability to absorb photons of specific energies. A collimated laser beam of known energy is passed through a test section containing a sample gas. When a transition of the absorbing gas species resonates with the laser frequency, a certain amount of energy will be absorbed based on the rovibrational characteristics of the molecule. The intensity of the transmitted laser light can be measured by a detector after exiting the test section. The Beer-Lambert Law of absorbance is used to recover this information relating beam attenuation to the system dimensions, gas composition, pressure, and temperature. The line-strength is a function of temperature alone and relates the fraction of molecules in a given rovibrational state through the partition function. The partition function describes the statistical properties of a system in thermodynamic equilibrium where the states obey a Boltzmann distribution. Thus, the number density of molecules in a particular state can be determined from the total internal partition function at a particular temperature. The lineshape function of a given absorption transition is derived from the physical interaction between the absorbing species and is dependent on temperature and pressure. Random thermal motion of absorbing molecules result in broadening of the linewidth, called Doppler broadening, which follows a Gaussian distribution. Molecular collisions result in broadening and shifting of the linewidth, called pressure broadening, which follows a Lorentzian distribution. The overall lineshape results in a Voigt profile, which is a convolution of the Gaussian and Lorentzian distributions. The Voigt profile does not have a simple analytical form and is most often calculated numerically or approximated by complex functions. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗