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Science Archives in the 21st Century: A NASA LAMBDA Report

Lambda is a thematic data center that focuses on serving the cosmic microwave background (CMB) research community. LAMBDA is an active archive for NASA's Cosmic Background Explorer (COBE) and Wilkinson Microwave Anisotropy Probe (WMAP) mission data sets. In addition, LAMBDA provides analysis software, on-line tools, relevant ancillary data and important web links. LAMBDA also tries to preserve the most important ground-based and suborbital CMB data sets. CMB data is unlike other astrophysical data, consisting of intrinsically diffuse surface brightness photometry with a signal contrast of the order 1 part in 100,000 relative to the uniform background. Because of the extremely faint signal levels, the signal-to-noise ratio is relatively low and detailed instrument-specific knowledge of the data is essential. While the number of data sets being produced is not especially large, those data sets are becoming large and complex. That tendency will increase when the many polarization experiments currently being deployed begin producing data. The LAMBDA experience supports many aspects of the NASA data archive model developed informally over the last ten years-that small focused data centers are often more effective than larger more ambitious collections, for example; that data centers are usually best run by active scientists; that it can be particularly advantageous if those scientists are leaders in the use of the archived data sets; etc. LAMBDA has done some things so well that they might provide lessons for other archives. A lot of effort has been devoted to developing a simple and consistent interface to data sets, for example; and serving all the documentation required via simple 'more' pages and longer explanatory supplements. Many of the problems faced by LAMBDA will also not surprise anyone trying to manage other space science data. These range from persuading mission scientists to provide their data as quickly as possible, to dealing with a high volume of nuisance (spam) messages. Because so many data center problems and solutions are common across individual data centers and disciplines it would be very valuable to establish some new systems of communication - such as informal email lists for administrators and developers. But resources are very limited, so new timeconsuming and inefficient mechanisms - like too-frequent and too-structured meetingsshould be avoided. Although there are great advantages to being small, agile and independent, there are also some areas where science data centers within and without NASA could be better coordinated - for the assignment of persistent identifiers; to encourage the early adoption of useful standards and technologies; etc. Some super-structure to facilitate such coordination might be beneficial as long as it doesn't begin to control the other work of the archives, and become a "methodology police". In this respect the CCSDS "Reference Model for an Open Archive Information System" is a little worrying. It may be that the closer a data center gets to following such a detailed prescription, the less effective it will become. It is much better to have an informal coordination process than a bureaucratic straight-jacket.

Butterworth, P.↗

Imaging Systems for Size Measurements of Debrisat Fragments

The overall objective of the DebriSat project is to provide data to update existing standard spacecraft breakup models. One of the key sets of parameters used in these models is the physical dimensions of the fragments (i.e., length, average-cross sectional area, and volume). For the DebriSat project, only fragments with at least one dimension greater than 2 mm are collected and processed. Additionally, a significant portion of the fragments recovered from the impact test are needle-like and/or flat plate-like fragments where their heights are almost negligible in comparison to their other dimensions. As a result, two fragment size categories were defined: 2D objects and 3D objects. While measurement systems are commercially available, factors such as measurement rates, system adaptability, size characterization limitations and equipment costs presented significant challenges to the project and a decision was made to develop our own size characterization systems. The size characterization systems consist of two automated image systems, one referred to as the 3D imaging system and the other as the 2D imaging system. Which imaging system to use depends on the classification of the fragment being measured. Both imaging systems utilize point-and-shoot cameras for object image acquisition and create representative point clouds of the fragments. The 3D imaging system utilizes a space-carving algorithm to generate a 3D point cloud, while the 2D imaging system utilizes an edge detection algorithm to generate a 2D point cloud. From the point clouds, the three largest orthogonal dimensions are determined using a convex hull algorithm. For 3D objects, in addition to the three largest orthogonal dimensions, the volume is computed via an alpha-shape algorithm applied to the point clouds. The average cross-sectional area is also computed for 3D objects. Both imaging systems have automated size measurements (image acquisition and image processing) driven by the need to quickly and accurately measure tens of thousands of debris fragments. Moreover, the automated size measurement reduces potential fragment damage/mishandling and ability for accuracy and repeatability. As the fragment characterization progressed, it became evident that the imaging systems had to be revised. For example, an additional view was added to the 2D imaging system to capture the height of the 2D object. This paper presents the DebriSat project's imaging systems and calculation techniques in detail; from design and development to maturation. The experiences and challenges are also shared.

Shiotani, B.↗

Archiving of Wideband Plasma Wave Data

Beginning with the third year of funding, we began a more ambitious archiving production effort, minimizing work on new software and concentrating on building representative archives of the missions mentioned above, recognizing that only a small percentage of the data from any one mission can be archived with reasonable effort. We concentrated on data from Dynamics Explorer and ISEE 1, archiving orbits or significant fractions of orbits which attempt to capture the essence of the mission and provide data which will hopefully be sufficient for ongoing and new research as well as to provide a reference to upcoming and current ISTP missions which will not fly in the same regions of space as the older missions and which will not have continuous wideband data. We archived approximately 181 Gigabytes of data, accounting for some 1582 hours of data. Included in these data are all of the AMPTE chemical releases, all of the Spacelab 2/PDP data obtained during the free-flight portion of its mission, as well as significant portions of the S3, DE-1, Imp-6, Hawkeye, Injun 5, and ISEE 1 and 2 data sets. Table 1 summarizes these data. All of the data archived are summarized in gif-formatted images of frequency-time spectrograms which are directly accessible via the internet. Each of the gif files are identified by year, day, and time as described in the Web page. This provides a user with a specific date/time in mind a way of determining very quickly if there is data for the interval in question and, by clicking on the file name, browsing the data. Alternately, a user can browse the data for interesting features and events simply by viewing each of the gif files. When a user finds data of interest, he/she can notify us by email of the time period involved. Based on the user's needs, we can provide data on a convenient medium or by ftp, or we can mount the appropriate data and provide access to our analysis tools via the network. We can even produce products such as plots or spectrograms in hardcopy form based on the specific request of the user.

Kurth, William S.↗

A Comparison of Two Terminal Area Detect and Avoid Well Clear Definitions

Technical requirements are currently under development for a detect and avoid system (DAA) that would support the operation of Unmanned Aircraft Systems (UAS) within the National Airspace System (NAS). Such a system would aid UAS operators in maintaining sufficient separation, or "well clear", from other aircraft in their vicinity. The first set of technical standards for a UAS DAA system (referred to as "Phase 1" requirements) was limited to UAS operations transiting through Class D, E, and G airspace to, or from, Class A (or special-use) airspace. Explicitly out of scope of the Phase 1 requirements was the operation of UAS within terminal airspace in the NAS. Fern, Rorie, Roberts and Monk (2018) explored the application of a Phase 1 DAA system within Class D terminal airspace in a human-in-the-loop simulation. The results of the study demonstrated a poor fit of the Phase 1 DAA well clear (DWC) definition to these terminal operations. The original DWC definition was designed for the en-route environment and could not account for the complex, tightly-choreographed nature of traffic typically found near an airport. The interaction of the en-route DWC definition and the terminal area traffic led to excessive DAA alerting against safely-separated traffic. The frequent alerting quickly degraded pilots' ability to discriminate between encounters where a maneuver was or was not necessary. This resulted in slower response times, higher rates of losses of DAA well clear, and more severe losses of DAA well clear than had been observed in previous DAA research (e.g., Rorie et al., 2017). The current paper reports on a follow-on study to Fern et al. (2018) that tested two DWC definitions designed to accommodate standard terminal area operating procedures, such as traffic in the downwind leg of a VFR traffic pattern while the UAS is on final. The two definitions utilized identical horizontal and vertical thresholds but differed in whether or not Tau (a function that takes into account the closure rate of two aircraft) was included as a part of the DWC hazard zone. The "Tau" DWC candidate definition nominally extended the DWC hazard zone by 15 seconds in the direction of the intruder aircraft, while the "No Tau" DWC candidate definition did not extend the DWC hazard zone. The results of this follow-on study indicated that both candidate definitions improved pilot and DAA system performance relative to Fern et al (2018). Pilot response times and rates of losses of DWC returned to levels comparable to earlier research in the en-route environment. Several important differences between the two DWC candidate definitions, however, are also discussed.

Terminal Area↗

The Explorer's Guide to the Universe: A Reading List for Planetary and Space Science

During the last decade, both scientists and the public have been engulfed by a flood of discoveries and information from outer space. Distant worlds have become familiar landscapes. Instruments in space have shown us a different Sun by the "light" of ultraviolet radiation and X-rays. Beyond the solar system, we have detected a strange universe of unsuspected violence, unexplained objects, and unimaginable energies. We are completely remarking our picture of the universe around us, and scientists and the general public alike are curious and excited about what we see. The public has participated in this period of exploration and discovery to an extent never possible before. In real time, TV screens show moonwalks, the sands of Mars, the volcanoes of Io, and the rings of Saturn. But after the initial excitement, it is hard for the curious non-scientist to learn more details or even to stay in touch with what is going on. Each space mission or new discovery is quickly skimmed over by newspapers and TV and then preserved in technical journals that are neither accessible nor easily read by the average reader. This reading list is an attempt to bridge the gap between the people who make discoveries in space and the people who would like to read about them. The aim has been to provide to many different people--teachers, students, scientists, other professionals, and curious citizens of all kinds--a list of readings where they can find out what the universe is like and what we have learned about it. We have included sections on the objects that seem to be of general interest--the Moon, the planets, the Sun, comets, and the universe beyond. We have also included material on related subjects that people are interested in--the history of space exploration, space habitats, extraterrestrial life, and U F O ' s . The list is intended to be self-contained; it includes both general references to supply background and more specific sources for new discoveries. Although the list can be used by a wide range of people, it has been compiled with the non-scientist specifically in mind. A s a general rule, we have not included technical symposia or the special issues of

French, Bevan M.↗

A Statistical Approach for the Concurrent Coupling of Molecular Dynamics and Finite Element Methods

Molecular dynamics (MD) methods are opening new opportunities for simulating the fundamental processes of material behavior at the atomistic level. However, increasing the size of the MD domain quickly presents intractable computational demands. A robust approach to surmount this computational limitation has been to unite continuum modeling procedures such as the finite element method (FEM) with MD analyses thereby reducing the region of atomic scale refinement. The challenging problem is to seamlessly connect the two inherently different simulation techniques at their interface. In the present work, a new approach to MD-FEM coupling is developed based on a restatement of the typical boundary value problem used to define a coupled domain. The method uses statistical averaging of the atomistic MD domain to provide displacement interface boundary conditions to the surrounding continuum FEM region, which, in return, generates interface reaction forces applied as piecewise constant traction boundary conditions to the MD domain. The two systems are computationally disconnected and communicate only through a continuous update of their boundary conditions. With the use of statistical averages of the atomistic quantities to couple the two computational schemes, the developed approach is referred to as an embedded statistical coupling method (ESCM) as opposed to a direct coupling method where interface atoms and FEM nodes are individually related. The methodology is inherently applicable to three-dimensional domains, avoids discretization of the continuum model down to atomic scales, and permits arbitrary temperatures to be applied.

Saether, E.↗

Modification of Altitude Wind Tunnel for Icing and Propulsion Research Study, Part B

This report describes the results of an engineering study conducted for NASA-Lewis Research Center on Modifications to the Altitude Wind Tunnel (AWT) for Icing and Propulsion Research by DSW Engineering Corporation, Orlando, Florida and DSMA International Inc., Toronto, Canada. The engineering study referred to as study 'Part B' has been carried out under authorization of NASA Contract NAS 3-22933 (Ref. 1). The scope of work defined in the Statement of Work 3-169855 (Ref. 2) Revised 2/20/81 was discussed in detail with NASA on October 2, 1981 and covers the following areas: - Fan and Fan Housing. This includes assessment of circuit loss analyses, fan aerodynamics and mechanical conceptual design of variable and fixed pitch fans considering fixed and variable inlet guide vanes. - Fan Drive Systems - considering fixed and variable speed drives with continuous rating of 30,000 HP with overload capability of 45,000. The drive shaft between the motor and fan is to be considered and also the existing foundations for the main drive motor. - 20 ft.Test Section Arrangement - having slotted wall configurations suitable for testing at transonic velocities, with various model support systems required for the anticipated models and tests. A model handling concept aimed for high productivity testing and means for quick access to the model in the test section between test runs. - 45 ft. Test Section - feasible and practical approach for model installation and removal.

Leonard, H. Wayne↗

Digital Averaging Phasemeter for Heterodyne Interferometry

A digital averaging phasemeter has been built for measuring the difference between the phases of the unknown and reference heterodyne signals in a heterodyne laser interferometer. This phasemeter performs well enough to enable interferometric measurements of distance with accuracy of the order of 100 pm and with the ability to track distance as it changes at a speed of as much as 50 cm/s. This phasemeter is unique in that it is a single, integral system capable of performing three major functions that, heretofore, have been performed by separate systems: (1) measurement of the fractional-cycle phase difference, (2) counting of multiple cycles of phase change, and (3) averaging of phase measurements over multiple cycles for improved resolution. This phasemeter also offers the advantage of making repeated measurements at a high rate: the phase is measured on every heterodyne cycle. Thus, for example, in measuring the relative phase of two signals having a heterodyne frequency of 10 kHz, the phasemeter would accumulate 10,000 measurements per second. At this high measurement rate, an accurate average phase determination can be made more quickly than is possible at a lower rate.

Johnson, Donald↗

TU-AB-303-02: A Novel Surrogate to Identify Anatomical Changes During Radiotherapy of Head and Neck Cancer Patients

Purpose: To develop a novel method to monitor external anatomical changes in head and neck cancer patients in order to help guide adaptive radiotherapy decisions. Methods: The method, developed in MATLAB, reveals internal anatomical changes based on variations observed in external anatomy. Weekly kV-CBCT scans from 11 Head and neck patients were retrospectively analyzed. The pre-processing step first corrects each CBCT for artifacts and removes pixels from the immobilization mask to produce an accurate external contour of the patient’s skin. After registering the CBCTs to the initial planning CT, the external contours from each CBCT (CBCTn) are transferred to the first week — reference — CBCT{sub 1}. Contour radii, defined as the distances between an external contour and the central pixel of each CBCT slice, are calculated for each scan at angular increments of 1 degree. The changes in external anatomy are then quantified by the difference in radial distance between the external contours of CBCT1 and CBCTn. The radial difference is finally displayed on a 2D intensity map (angle vs radial distance difference) in order to highlight regions of interests with significant changes. Results: The 2D radial difference maps provided qualitative and quantitative information, such as the location and the magnitude of external contour divergences and the rate at which these deviations occur. With this method, anatomical changes due to tumor volume shrinkage and patient weight loss were clearly identified and could be correlated with the under-dosage of targets or over-dosage of OARs. Conclusion: This novel method provides an efficient tool to visualize 3D external anatomical modification on a single 2D map. It quickly pinpoints the location of differences in anatomy during the course of radiotherapy, which can help determine if a treatment plan needs to be adapted.

60 APPLIED LIFE SCIENCES↗

Providing Data Access and Analysis Capabilities to SERVIR’s Data-Sparse Regions

In developing regions of the world, the communications infrastructure pose enormous challenges for using Earth observation data. Limited internet bandwidth along with the high costs make it almost impossible to process and extract zonal statistics over large periods of time for even small geographic areas. In such cases, downloading daily rainfall data or dekadal series of NDVI data would take days and consume all the bandwidth allocated to an organization (for reference, internet connections in Niger would cost thousands of dollars per month at a maximum - and unreliable - bandwidth of just 10 Mbps). Running crop models or hydrological models typically require several years of historic data over the area of interest (AOI). In some cases, these AOIs are relatively small compared to the footprint of individual earth observation granules. Hence, systems that let the stakeholders subset the data to download to a user specified area, or even submit processing requests that let them download small result files for the AOI become critical. The SERVIR program has developed a tool to provide this type of access to help decision makers in developing regions use long time series of adjusted rainfall data (CHIRPS), NDVI values, seasonal weather forecasts, evaporative stress indices and others in a very efficient manner. This system, named ClimateSERV (https://climateserv.servirglobal.net) ingests the datasets in an automated fashion and allows interactive access (through a web application), or automated access through a simple API that developers can quickly incorporate in independent applications. This way, the extraction of daily averages of rainfall over a 50 square Km area through 30 years of archived data takes only a few seconds to process, and the results can be presented on an online chart or downloaded in a comma separated file that's only a few Kb.

Ashmall, William↗

Data-enabled structure–property mappings for lanthanide-activated inorganic scintillators

The use of machine learning (ML) models toward development of validated structure–property relationships for two fundamental properties of activated inorganic scintillators for high energy radiation detection, namely the light yield (LY) and the decay time constant, is explored. The ML models are built on easily accessible proxies of materials—interchangeably referred to as features, descriptors or fingerprints—that are carefully selected on the basis of a physical understanding of the scintillation mechanism. Our study indicates that the developed physics-based ML models employing kernel ridge regression (KRR) and AdaBoost algorithm applied on top of a decision tree-based regression are able to “learn” the underlying design rules in a multi-dimensional feature space and thereby enable reasonably accurate predictions of the two target properties on unseen compounds (i.e., on a held-out test set). For instance, within a set of twenty-five cerium- or europium-doped scintillator materials, our analysis reveals a strong correlation between the average ionic part of the dielectric constant and the LY, irrespective of the specific chemistry of the compounds, indicating that the average ionic part of the dielectric constant is a particularly relevant descriptor toward prediction of the LY. Our results also demonstrate that, despite the use of small training datasets, the developed models are able to quickly distinguish high performing chemistries from those with relatively poor performance and therefore can play a crucial role in screening of new compounds with an attractive combination of targeted properties. Finally, the present study provides necessary motivation for future efforts involving ML models with relatively large training datasets, vast feature space explorations, and experimental design in search of promising novel scintillator chemistries.

36 MATERIALS SCIENCE↗

Assessing Electronic Structure Methods for Long-Range Three-Body Dispersion Interactions: Analysis and Calculations on Well-Separated Metal Atom Trimers

Three-body dispersion interactions are much weaker than their two-body counterpart. However, their importance grows quickly as the number of interacting monomers rises. To explore the numerical performance of correlation methods for long-range three-body dispersion, we performed calculations on eight very simple dispersion-dominated model metal trimers: Na 3 , Mg 3 , Zn 3 , Cd 3 , Hg 3 , Cu 3 , Ag 3 , and Au 3 . One encouraging aspect is that relatively small basis sets of augmented triple-ζ size appear to be adequate for three-body dispersion in the long-range. Coupled cluster calculations were performed at high levels to assess MP3, CCSD, CCSD(T), empirical density functional theory dispersion (D3), and the many-body dispersion (MBD) approach. We found that the accuracy of CCSD(T) was generally significantly lower than for two-body interactions, with errors sometimes reaching 20% in the investigated systems, while CCSD and particularly MP3 were generally more erratic. MBD is found to perform better than D3 at large distances, whereas the opposite is true at shorter distances. When computing reference numbers for three-body dispersion, care should be taken to appropriately represent the effect of the connected triple excitations, which are significant in most cases and incompletely approximated by CCSD(T).

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Durability of Disposable N95 Mask Material When Exposed to Improvised Ozone Gas Disinfection

The principle finding of this report is that both commercial and a novel material used for N95 mask filters can endure many cycles of disinfection by ozone gas (20 ppm for 30 minutes) without detectable degradation or loss of filtration efficiency. N95 masks and surgical masks (hereafter referred to as masks) typically use a filtration material fabricated from meltblown polypropylene. To achieve maximum filtration efficiency while maintaining a reasonable pressure drop, these nonwoven fabrics are also electrostatically charged (corona discharge is the most common method used), to maximize attraction and capture of aerosols and solid particulates. Under normal circumstances, the reuse of masks is generally discouraged, but in times of crisis has become a necessity, making disinfection after each use a necessity. To be acceptable, any disinfection procedure must cause minimal degradation to the performance of the filter material. Possible performance degradation mechanisms include mechanical damage, loss of electrostatic charge, or both. One of the most practical and direct ways to measure combined mechanical and electrostatic integrity, and the subsequent ability to reuse mask filter material, is by the direct measurement of filtration efficiency. In this paper, we report that small numbers of disinfection cycles at reasonable virucidal doses of ozone do not significantly degrade the filtration efficiency of meltblown polypropylene filter material. By comparison, laundering quickly results in a significant loss of filtration efficiency and requires subsequent recharging to restore the electrostatic charge and filtration efficiency. A common assumption among biomedical scientists that ozone is far too destructive for this application. However, these direct measurements show that mask materials, specifically the filtration material, can withstand dozens of ozone disinfection cycles without any measurable degradation of filtration efficiency, nor any visible discoloration or loss of fiber integrity. The data are clear: when subjected to a virucidal dose of ozone for a much longer duration than is required for viral inactivation, there was no degradation of N95 filtration efficiency. The specific dosages of ozone needed for ~99% viral inactivation are thought to be at least 10 ppm for up to 30 minutes based upon an extensive literature review, but to standardize our testing, we consider a dose of 20 ppm for 30 minutes to be a reasonable and conservatively high ozone disinfection cycle. Finally, the material tested in this study withstood dosages of up to 200 ppm for 90 minutes, or alternatively 20 ppm for up to 36 hours, without detectable degradation, and further testing suggests that up to 30 or more disinfection cycles (at 20 ppm for 30 minutes) would result in less than a 5% loss of filtration efficiency. This report does not address the effect of ozone cycling on other mask components, such as elastics.

60 APPLIED LIFE SCIENCES↗

jialiu232/MetaFunPrimer_paper_info

Genes belonging to the same functional group may include numerous and variable gene sequences, making characterizing and quantifying difficult. Therefore, high-throughput design tools are needed to simultaneously create primers for improved quantification of target genes. We developed MetaFunPrimer, a bioinformatic pipeline, to design primers for numerous genes of interest. This tool also enables gene target prioritization based on ranking the presence of genes in user-defined references, such as environment-specific metagenomes. Given inputs of protein and nucleotide sequences for gene targets of interest and an accompanying set of reference metagenomes or genomes, MetaFunPrimer generates primers for ranked genes of interest. To demonstrate the usage and benefits of MetaFunPrimer, a total of 78 primer pairs were designed to target observed ammonia monooxygenase subunit A (amoA) genes of ammonia-oxidizing bacteria (AOB) in 1,550 publicly available soil metagenomes. We demonstrate computationally that these amoA-AOB primers can cover 94% of the amoA-AOB genes observed in the 1,550 soil metagenomes compared with a 49% estimated coverage by previously published primers. Finally, we verified the utility of these primer sets in incubation experiments that used long-term nitrogen fertilized or unfertilized soils. High-throughput quantitative PCR (qPCR) results and statistical analyses showed significant differences in relative quantification patterns between the two soils, and subsequent absolute quantifications also confirmed that target genes enumerated by six selected primer pairs were significantly more abundant in the nitrogen-fertilized soils. This new tool gives microbial ecologists a new approach to assess functional gene abundance and related microbial community dynamics quickly and affordably.

Liu, Jia↗

SU-E-J-44: A Novel Approach to Quantify Patient Setup and Target Motion for Real-Time Image-Guided Radiotherapy (IGRT)

Purpose Isocenter shifts and rotations to correct patient setup errors and organ motion cannot remedy some shape changes of large targets. We are investigating new methods in quantification of target deformation for realtime IGRT of breast and chest wall cancer. Methods Ninety-five patients of breast or chest wall cancer were accrued in an IRB-approved clinical trial of IGRT using 3D surface images acquired at daily setup and beam-on time via an in-room camera. Shifts and rotations relating to the planned reference surface were determined using iterative-closest-point alignment. Local surface displacements and target deformation are measured via a ray-surface intersection and principal component analysis (PCA) of external surface, respectively. Isocenter shift, upper-abdominal displacement, and vectors of the surface projected onto the two principal components, PC1 and PC2, were evaluated for sensitivity and accuracy in detection of target deformation. Setup errors for some deformed targets were estimated by superlatively registering target volume, inner surface, or external surface in weekly CBCT or these outlines on weekly EPI. Results Setup difference according to the inner-surface, external surface, or target volume could be 1.5 cm. Video surface-guided setup agreed with EPI results to within < 0.5 cm while CBCT results were sometimes (∼20%) different from that of EPI (>0.5 cm) due to target deformation for some large breasts and some chest walls undergoing deep-breath-hold irradiation. Square root of PC1 and PC2 is very sensitive to external surface deformation and irregular breathing. Conclusion PCA of external surfaces is quick and simple way to detect target deformation in IGRT of breast and chest wall cancer. Setup corrections based on the target volume, inner surface, and external surface could be significant different. Thus, checking of target shape changes is essential for accurate image-guided patient setup and motion tracking of large deformable targets. NIH grant for the first author as cionsultant and the last author as the PI.

60 APPLIED LIFE SCIENCES↗

Designing a Framework for Solving Multiobjective Simulation Optimization Problems

Multiobjective simulation optimization (MOSO) problems are optimization problems with multiple conflicting objectives, where evaluation of at least one of the objectives depends on a black-box numerical code or real-world experiment, which we refer to as a simulation. Whereas an extensive body of research is dedicated to developing new algorithms and methods for solving these and related problems, it is challenging and time-consuming to integrate these techniques into real-world production-ready solvers. This is partly because of the diversity and complexity of modern state-of-the-art MOSO algorithms and methods and partly because of the complexity and specificity of many real-world problems and their corresponding computing environments. The complexity of this problem is only compounded when introducing potentially complex and/or domain-specific surrogate-modeling techniques, problem formulations, design spaces, and data acquisition functions. Here, this paper carefully surveys the current state of the art in MOSO algorithms, techniques, and solvers, as well as problem types and computational environments where MOSO is commonly applied. We then present several key challenges in the design of a parallel multiobjective simulation optimization framework (ParMOO) and how they have been addressed. Finally, we provide two case studies demonstrating how customized ParMOO solvers can be quickly built and deployed to solve real-world MOSO problems.

engineering design optimization↗

MESOSCALE THERMAL TRANSPORT MEASUREMENTS OF MULTI-PHASE AND POROUS NUCLEAR FUELS USING A SQUARE-WAVE PULSE THERMOREFLECTANCE TECHNIQUE

The safe and efficient operation of nuclear reactors require accurate knowledge of peak temperatures in the fuel assemblies. The temperature profiles are governed by the thermal transport properties of the fuel, namely the thermal conductivities (k) and thermal diffusivities (D). These values can be very difficult to measure as they are known to vary considerably from the measured bulk values of the fresh fuel, and quickly degrade with increasing burnup [1 -3] . Laser-based techniques have been effectively used for non-destructive and non-contact thermal transport measurements of a wide variety of materials, including nuclear materials [4-6] that would otherwise prove too hazardous or difficult to measure otherwise. In this study, a new thermoreflectance technique known as square-pulse transient thermoreflectance (SPTR) is described and used to determine the mesoscale thermal diffusivity of both uranium sesquisilicide (U3Si2) and uranium nitride (UN) phases in a composite fuel with micron level spatial resolution [7]. This technique employs a rapid train of square-wave pulses from an excitation laser to create a periodic heat flux on a gold coated sample surface. Surface adsorption results in transient film temperatures and hence rapid fluctuations in thermoreflectance that can be measured via a detection laser coupled with a digital oscilloscope. The lasers are coaxially focused on the sample surface, allowing for a sample measurement area of a single convolved laser spot size (~2 µm). A sensitivity analysis was conducted to identify key measurement parameters of this technique using reference materials with a range of thermal conductivities comparable to those of both ceramic, composite, and metal nuclear fuel types (1.4 – 27.2 W/m-K). The reference materials were measured using the new technique as well as a spatial-domain thermoreflectance technique (SDTR) previously reported for a comparison [8]. Additionally, measurements of several U3Si2 and UN phase regions of a polished UN/U3Si2 (70/30 vol.%) sample were taken, and the resulting calculated D values are reported, with both techniques showing excellent agreement between samples. This technique was used to scan a multiphase region at 5 micron increments to generate a local diffusivity map, demonstrating the utility of the techniques for measuring thermal transport properties in specimens with precipitates and secondary phases. Furthermore, the technique is currently being applied to measure thermal properties of Fast Flux Test Reactor (FFTR) irradiated metal fuel specimens whose porous microstructure make it very difficult to measure using other techniques. Comparison of the local scale measurements are compared with the pre-irradiated fuel samples to show the degradation of thermal transport in fuels due to pores from fission gas bubbles and other irradiation induced defects.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Aerosols and Particulates Workshop Sampling Procedures and Venues Working Group Summary

The Sampling Procedures and Venues Workgroup discussed the potential venues available and issues associated with obtaining measurements. Some of the issues included Incoming Air Quality, Sampling Locations, Probes and Sample Systems. The following is a summary of the discussion of the issues and venues. The influence of inlet air to the measurement of exhaust species, especially trace chemical species, must be considered. Analysis procedures for current engine exhaust emissions regulatory measurements require adjustments for air inlet humidity. As a matter of course in scientific investigations, it is recommended that "background" measurements for any species, particulate or chemical, be performed during inlet air flow before initiation of combustion, if possible, and during the engine test period as feasible and practical. For current regulatory measurements, this would be equivalent to setting the "zero" level for conventional gas analyzers. As a minimum, it is recommended that measurements of the humidity and particulates in the incoming air be taken at the start and end of each test run. Additional measurement points taken during the run are desirable if they can be practically obtained. It was felt that the presence of trace gases in the incoming air is not a significant problem. However, investigators should consider the ambient levels and influences of local air pollution for species of interest. Desired measurement locations depend upon the investigation requirements. A complete investigation of phenomenology of particulate formation and growth requires measurements at a number of locations both within the engine and in the exhaust field downstream of the nozzle exit plane. Desirable locations for both extractive and in situ measurements include: (1) Combustion Zone (Multiple axial locations); (2) Combustor Exit (Multiple radial locations for annular combustors); (3) Turbine Stage (Inlet and exit of the stage); (4) Exit Nozzle (Multiple axial locations downstream of the nozzle). Actual locations with potential for extractive or non-intrusive measurements depend upon the test article and test configuration. Committee members expressed the importance of making investigators aware of various ports that could allow access to various stages of the existing engines. Port locations are engine si)ecific and might allow extractive sampling or innovative hybrid optical-probe access. The turbine stage region was one the most desirable locations for obtaining samples and might be accessed through boroscope ports available in some engine designs. Discussions of probes and sampling systems quickly identified issues dependent on particular measurement quantities. With general consensus, the group recommends SAE procedures for measurements and data analyses of currently regulated exhaust species (CO2, CO, THC, NO(x),) using conventional gas sampling techniques. Special procedures following sound scientific practices must be developed as required for species and/or measurement conditions not covered by SAE standards. Several issues arose concerning short lived radicals and highly reactive species. For conventional sampling, there are concerns of perturbing the sample during extraction, line losses, line-wall reactions, and chemical reactions during the sample transport to the analyzers. Sample lines coated with quartz.or other materials should be investigated for minimization of such effects. The group advocates the development of innovative probe techniques and non-intrusive optical techniques for measurement of short lived radicals and highly reactive species that cannot be sampled accurately otherwise. Two innovative probe concepts were discussed. One concept uses specially designed probes to transfer optical beams to and from a region of flow inaccessible by traditional ports or windows. The probe can perturb the flow field but must have a negligible impact on the region to be optically sampled. Such probes are referred to as hybrid probes and are under development at AEDC for measurement in the high pressure, high temperature of a combustor under development for power generation. The other concept consists of coupling an instrument directly to the probe. The probe would isolate a representative sample stream, freeze chemical reactions and direct the sample into the analyzer portion of the probe. Thus, the measurement would be performed in situ without sample line losses due either to reactions or binding at the wall surfaces. This concept was used to develop a fast, in situ, time-of-flight mass spectrometer measurement system for temporal quantification of NO in the IMPULSE facility at AEDC. Additional work is required in this area to determine the best probe and sampling technique for each species measurement requirement identified by the Trace Chemistry Working Group. A partial list of Venues was used as a baseline for discussion. Additional venues were added to the list and the list was broken out into the following categories: (1)Engines (a) Sea Level Test Stands (b) Altitude Chambers; (2) Annular Combustor Test Stands, (3) Sector Flametube Test Stands, (4) Fundamentals Rigs/Experiments.

Pachlhofer, Peter↗