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2.2.2.405 - Verdant/NREL Research Measurement Campaign

The marine renewable energy industry primarily uses thermoset composite materials for blades and other hydrodynamic components, which can have up to 50% reduction in strength when exposed to seawater and are not recyclable. Thermoplastic composite materials have been shown at a coupon-scale to have improved seawater saturated properties but have not been validated at full scale. The primary goal of the project is to demonstrate the structural properties of thermoplastic-fiberglass composite blades compared to epoxy-fiberglass composite blades in seawater at a tidal energy site on an operational turbine. Through this work, NREL manufactured, tested and deployed thermoplastic blades and a data acquisition system on Verdant Power's turbine TriFrame in the East River, NYC. The thermoplastic blades and DAQ were retrieved after a 6-month deployment with no signs of degradation and all cable connections, structural supports and strain gages had a 100% survival rate. The blades are currently undergoing post-deployment structural validation to compare their performance to traditional epoxy blades that were deployed for the same amount of time. This will increase confidence in thermoplastic materials and move it closer to commercial adoption, as well as increase confidence in the design of a DAQ and instrumentation method for a tidal turbine. However, due to an error in the DAQ software that was introduced after the DAQ and software were validated, there was no loads data collected during the deployment.

blade testing↗

Results of FY 2023 Alloy 617 and Alloy 709 High-Temperature Crack-Growth Testing

This report summarizes the work performed at Idaho National Laboratory under the “Creep, fatigue and creep-fatigue crack growth tests” task of the “Long-Term VHTR Material Qualification – INL” work package. Work was performed this year to validate the crack growth monitoring setup used with the test frames against both continuous crack length monitoring using an optical camera, as well as post-mortem analysis of marker bands on the fracture surface. Delays prevented the use of a gauge to measure load-line displacement for early tests, and so the creep-fatigue crack growth setup was evaluated using the actuator displacement for a load-line displacement setup. While not ideal, this allowed examination of the shortcomings with the current software setup that was originally designed for performing stress corrosion crack growth rate studies. The method for data collection was modified to link the crack growth monitoring software with Instron’s Wave Matrix software. Once the load-line displacement gauge arrived, the crack growth equipment was successfully modified to permit continuous monitoring of both load-line displacement and crack length. This is critical for creep-fatigue and creep crack growth rate studies for ductile material, as it permits the C* and Ct analyses. Test results are shown for Alloy 617 fatigue and creep-fatigue (without the gauge for load-line displacement measurements), as well as creep-fatigue of Alloy 709, which was performed with the completed test setup, allowing for crack length and load-line displacement monitoring.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Open-source electrochemical cell for in situ X-ray absorption spectroscopy in transmission and fluorescence modes

X-ray spectroscopy is a valuable technique for the study of many materials systems. Characterizing reactions in situ and operando can reveal complex reaction kinetics, which is crucial to understanding active site composition and reaction mechanisms. In this project, the design, fabrication and testing of an open-source and easy-to-fabricate electrochemical cell for in situ electrochemistry compatible with X-ray absorption spectroscopy in both transmission and fluorescence modes are accomplished via windows with large opening angles on both the upstream and downstream sides of the cell. Using a hobbyist computer numerical control machine and free 3D CAD software, anyone can make a reliable electrochemical cell using this design. Onion-like carbon nanoparticles, with a 1:3 iron-to-cobalt ratio, were drop-coated onto carbon paper for testing in situ X-ray absorption spectroscopy. Cyclic voltammetry of the carbon paper showed the expected behavior, with no increased ohmic drop, even in sandwiched cells. Chronoamperometry was used to apply 0.4 V versus reversible hydrogen electrode, with and without 15 min of oxygen purging to ensure that the electrochemical cell does not provide any artefacts due to gas purging. The XANES and EXAFS spectra showed no differences with and without oxygen, as expected at 0.4 V, without any artefacts due to gas purging. The development of this open-source electrochemical cell design allows for improved collection of in situ X-ray absorption spectroscopy data and enables researchers to perform both transmission and fluorescence simultaneously. It additionally addresses key practical considerations including gas purging, reduced ionic resistance and leak prevention.

08 HYDROGEN↗

Final Report on HOLODEC 2 Technology Readiness Level

During the period of this project, the Holographic Detector for Clouds 2 (HOLODEC 2) instrument has advanced from a laboratory-proven instrument with some initial field testing to a fully flight-tested instrument capable of providing useful cloud microphysics measurements. This can be summarized as 'Technology Readiness Level 8: Technology is proven to work - Actual technology completed and qualified through test and demonstration.' As part of this project, improvements and upgrades have been made to the optical system, the instrument power control system, the data acquisition computer, the instrument control software, the data reconstruction and analysis software, and some of the basic algorithms for estimating basic microphysical variables like droplet diameter. Near the end of the project, the instrument flew on several research flights as part of the IDEAS 2011 project, and a small sample of data from the project is included as an example. There is one caveat in the technology readiness level stated above: the upgrades to the instrument power system were made after the flight testing, so they are not fully field proven. We anticipate that there will be an opportunity to fly the instrument as part of the IDEAS project in fall 2012.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advanced Control Architecture and Sensor Information Development for Process Automation, Optimization, and Imaging of Chemical Looping Systems

The Syngas Chemical Looping (SCL) process developed at The Ohio State University (OSU) uses an iron-based oxygen carrier to convert syngas into high-purity hydrogen while simultaneously capturing carbon dioxide that is readily sequestrable. A 25 kWth sub-pilot unit was successfully demonstrated multiple times on the OSU Clean Coal Research Facility, and a 250 kWth – 3 MWth pilot demonstration unit has been designed and constructed at the National Carbon Capture Center (NCCC) in Wilsonville, Alabama. The focus of this project is to develop multiple technologies to automate the startup and shutdown of chemical looping system. Success of this project will propel the advanced carbon capture method toward commercialization, hence be disruptive to the fossil fuel and power industries. Advanced process automation control architecture and imaging and optimization sensor software were developed for OSU chemical looping process. A high-level controller (HLC) consisting of decision-making and controller-selection logic integrated with sliding mode controllers (SMCs) were developed to perform chemical looping process startup and shutdown. Babcock & Wilcox Power Generation Group’s FocalPoint Optimization System was implemented to optimize the process operating conditions. The process automation controller and optimization information were realized and tested on OSU’s existing sub-pilot chemical looping test unit under atmospheric condition. The implemented control architecture was able to perform the complete process procedure from startup, steady-state reaction operation to shutdown with minimal operator intervention. The controller was also implemented on the pressurized syngas chemical looping (SCL) pilot test unit constructed at the National Carbon Capture Center (NCCC), demonstrating its pressure control capability with a designed transient state trajectory. An electrical capacitance volume tomography (ECVT) sensor device and its software were developed to image the packed moving bed and slugging fluidized bed of oxygen carriers in chemical looping systems at elevated temperatures. The ECVT device constructed was capable of tracking the subtle voidage variance along the moving bed axis as a feature for directly measuring the oxygen carrier particles’ linear velocity. Also, the high temperature ECVT device was used to study the fluidization characteristics of Geldart Group D particles.

08 HYDROGEN↗

Commercial Building Technology Demonstration (Final Scientific/Technical Report)

The background for this project was a unique and innovative concept that had been proposed and demonstrated by enVerid Systems, reducing the energy consumption in HVAC systems in commercial and public buildings by up to 50% at peak loads. The concept involves selective scrubbing of gas contaminants from indoor air as a practical substitute for outside air ventilation, the latter being the conventional practice today. This scrubbing enables recycling of most of the indoor air and significantly decreasing the amount of outside air, resulting in a reduced HVAC load and commensurate energy savings for the facility. Key to our approach is low cost scrubbing of all gas contaminants from indoor air using novel, efficient and regenerable sorbent materials. The total solution, labeled HLR (HVAC Load Reduction) is implemented by means of compact modules that can be retrofitted onto virtually any building, and utilizes novel sorbents that have been developed and brought to scale production by enVerid. Although the technology had been deployed and demonstrated, the US commercial building and HVAC markets, famously conservative with respect to innovation and new technologies, had yet to embrace the idea or the product. The overarching goal of the project was to help overcome market hesitancy and enable widespread adoption, by creating a critical mass of success stories across different regions and building types, all under oversight and verification of the DOE and NREL, to ensure credibility and accuracy. The project, overall, was a resounding success. Several installations were deployed and tested comprehensively for the impact on both energy consumption and indoor air quality, and results were not only excellent, but quantitatively in line with expectations. A total number of eight (8) installations were attempted, with 2 aborted due to building issues. Of the six successful installations, however, complete M&V was performed by NREL on 2 (Miami and NYC) and partial analysis on a third site (ArcBest), and these three, along with their results, were therefore presented from a financial and reporting standpoint. Although the number of case studies fell short of the original target of 10, we nevertheless had excellent demonstrations in vastly different climate zones: Southeast, Northeast and Midwest, and in very different building types. This included a modern high-rise office building in New York City and a University Campus health center in Miami, and a mid-rise high-density office in Arkansas. The cooling load reduction was shown to be significant, averaging 37% during the final cooling season in the Miami site. In the NYC site, the cooling energy savings were generally less, at around 12%, as expected. While this is a lower number for average/total savings, two comments are important to note: (i) the outside airflow (OA) reduction was not consistent during the data collection period, at least in part understating the attainable savings through incorrect measurement of the “high energy” reference state; and (ii) the peak impact in NYC is almost certainly as high as Miami, with critical ramifications for peak load reduction and equipment downsizing ability. Importantly, the measured energy savings in all locations were related to the outdoor climate conditions and the actual achievable reduction in outside air, very much in line with models and calculations; this leaves us with increased confidence in our understanding of the interaction between the technology and the building, and our ability to project the impact of this innovation in the future, through broad adoption. Simply put: the energy savings and load reduction impact of the HLR solution has been confirmed quantitatively. The results also confirmed the air quality objective. This may be even more significant, in that air quality is more complex and harder to measure and quantify, and the performance of the HLR as an air scrubber is the linchpin of the entire solution. In all sites, indoor air quality met or exceeded the required parameters, in terms of achieving the target (low) levels of indoor pollutants. Furthermore, the concentrations of outdoor sourced pollutants were markedly lower, as expected, mostly due to the reduction in outside air intake although in part also due to the scrubbing. The success was not immediate nor easy, and early challenges with the systems, especially (but not only) around controls and communication, caused delays in commissioning and undermined some of our M&V schedules. The good news is no fundamental issues were encountered and the number of such glitches was declining quickly by the end of the project. Other challenges had to do with coordinating the control of the building OA dampers, which the HLR needs to have in order to deliver the load reduction, but which the facility manager controls regularly and independently. This is not necessarily a problem for normal HLR operation but interferes with accurate M&V, where switching OA settings back and forth on a precise timetable is essential for clean data. The project provided valuable experience in retrofitting buildings that had been originally designed to operate with less recirculation and more outside air, and some key learnings related to the cyclical regeneration of the sorbents in the operational environment of the building. Some of these learnings gave already been incorporated into ongoing improvements in the design of the HLR module as well as the software that is used to control its operation. The cost and time of retrofit installations is much better understood; so is the test and balance procedure of the building that determines the available range of outside air reduction, which in turn determines the amount of load reduced. We had also implemented at least one annual cycle of sorbent cartridge replacement in the field, after which we tested the used sorbent to assess the rate of degradation of sorbent potency – an important factor affecting the long-term economics of HLR deployments. A notable shortfall of the project, other than the fact that the number of sites was below target, was that we had not (yet) completed testing to measure and verify (M&V) the winter energy savings. This is primarily due to late start on the NYC sites (Miami does not portend any heating savings associated with reduced outside air), combined with the issues of OA damper control. It is by no means suggested that such savings cannot be captured, only that the M&V with respect to winter in NYC has been incomplete. The value of this project and its interest to the general public are hard to overstate. The case studies created from Miami and especially from NYC have, without a doubt, opened up the interest of the broad HVAC industry to HLR in the past year. Major manufacturer reps have signed up to represent and promote the product, and dozens of top tier engineering consultants have introduced HLR as a base of design in upcoming construction and renovation projects – precisely the overarching goal of this project. These would not have happened without the highly visible installation in NYC and its ultimately satisfied customer. Furthermore, the DOE itself issued a report in late 2017 analyzing hundreds of candidate technologies for reducing energy consumption in HVAC; remarkably, the budding HLR solution ranked among the top 3(!); no doubt, its status as a viable and significant contender on this list is informed by the success of these demonstrations. And furthermore, in the wake of these demos, several major energy utilities, led by ConEdison in NYC, have endorsed the HLR solution and now routinely provide substantial cash rebates for customers choosing to incorporate the HLR in their buildings and reap the benefit of the reduced peak load as well as reduced cumulative energy demand. Last but not least, in January of 2019, as this report was being written, the HLR module won the AHR Expo Innovation Award for Green Buildings and, remarkably, the prestigious and only Product of the Year 2019, being selected by an independent professional panel of judges from AHR and ASHRAE. Given the confirmation of the enormous energy saving potential of HLR in widescale deployment, as well as ancillary but significant benefits in terms of equipment downsizing and indoor air quality, the benefit of this effort to the public speaks for itself. Accelerating adoption of HLR, without dependence on subsidies and driven by the private sector, is well under way. There is still much work to be done in terms of educating the HVAC and construction ecosystems and improving the product’s robustness and simplicity, to further facilitate the adoption of this technology and the capture of its potential value. But the American public will greatly benefit both directly and indirectly in the immediate future and beyond.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

So ware-Defined Network Solutions for Science Scenarios: Performance Testing Framework and Measurements

High-performance scientific work flows utilize supercomputers, scientific instruments, and large storage systems. Their executions require fast setup of a small number of dedicated network connections across the geographically distributed facility sites. We present Software-Defined Network (SDN) solutions consisting of site daemons that use dpctl, Floodlight, ONOS, or OpenDaylight controllers to set up these connections. The development of these SDN solutions could be quite disruptive to the infrastructure, while requiring a close coordination among multiple sites; in addition, the large number of possible controller and device combinations to investigate could make the infrastructure unavailable to regular users for extended periods of time. In response, we develop a Virtual Science Network Environment (VSNE) using virtual machines, Mininet, and custom scripts that support the development, testing, and evaluation of SDN solutions, without the constraints and expenses of multi-site physical infrastructures; furthermore, the chosen solutions can be directly transferred to production deployments. By complementing VSNE with a physical testbed, we conduct targeted performance tests of various SDN solutions to help choose the best candidates. In addition, we propose a switching response method to assess the setup times and throughput performances of different SDN solutions, and present experimental results that show their advantages and limitations.

Settlemyer, Bradley↗

Infrastructure for Multiphysics Software Integration in High Performance Computing-Aided Science and Engineering

The project described in this report constructed and exercised an innovative multiphysics coupling toolkit called the Illinois Rocstar MultiPhysics Application Coupling Toolkit (IMPACT). IMPACT is an open source, flexible, natively parallel infrastructure for coupling multiple uniphysics simulation codes into multiphysics computational systems. IMPACT works with codes written in several high-performance-computing (HPC) programming languages, and is designed from the beginning for HPC multiphysics code development. It is designed to be minimally invasive to the individual physics codes being integrated, and has few requirements on those physics codes for integration. The goal of IMPACT is to provide the support needed to enable coupling existing tools together in unique and innovative ways to produce powerful new multiphysics technologies without extensive modification and rewrite of the physics packages being integrated. There are three major outcomes from this project: 1) construction, testing, application, and open-source release of the IMPACT infrastructure, 2) production of example open-source multiphysics tools using IMPACT, and 3) identification and engagement of interested organizations in the tools and applications resulting from the project. This last outcome represents the incipient development of a user community and application echosystem being built using IMPACT. Multiphysics coupling standardization can only come from organizations working together to define needs and processes that span the space of necessary multiphysics outcomes, which Illinois Rocstar plans to continue driving toward. The IMPACT system, including source code, documentation, and test problems are all now available through the public gitHUB.org system to anyone interested in multiphysics code coupling. Many of the basic documents explaining use and architecture of IMPACT are also attached as appendices to this document. Online HTML documentation is available through the gitHUB site. There are over 100 unit tests provided that run through the Illinois Rocstar Application Development (IRAD) lightweight testing infrastructure that is also supplied along with IMPACT. The package as a whole provides an excellent base for developing high-quality multiphysics applications using modern software development practices. To facilitate understanding how to utilize IMPACT effectively, two multiphysics systems have been developed and are available open-source through gitHUB. The simpler of the two systems, named ElmerFoamFSI in the repository, is a multiphysics, fluid-structure-interaction (FSI) coupling of the solid mechanics package Elmer with a fluid dynamics module from OpenFOAM. This coupling illustrates how to combine software packages that are unrelated by either author or architecture and combine them into a robust, parallel multiphysics system. A more complex multiphysics tool is the Illinois Rocstar Rocstar Multiphysics code that was rebuilt during the project around IMPACT. Rocstar Multiphysics was already an HPC multiphysics tool, but now that it has been rearchitected around IMPACT, it can be readily expanded to capture new and different physics in the future. In fact, during this project, the Elmer and OpenFOAM tools were also coupled into Rocstar Multiphysics and demonstrated. The full Rocstar Multiphysics codebase is also available on gitHUB, and licensed for any organization to use as they wish. Finally, the new IMPACT product is already being used in several multiphysics code coupling projects for the Air Force, NASA and the Missile Defense Agency, and initial work on expansion of the IMPACT-enabled Rocstar Multiphysics has begun in support of a commercial company. These initiatives promise to expand the interest and reach of IMPACT and Rocstar Multiphysics, ultimately leading to the envisioned standardization and consortium of users that was one of the goals of this project.

42 ENGINEERING↗

Development of NDE/NDT Tools for High-Volume & High-Speed Inspection of CFRP Structures in Automotive Manufacturing

Main advantages of the air-coupled ultrasound testing (ACUT) and electromagnetic testing (EMT) techniques for NDE of CFRP composites were non-contact sensing, scalability for high-speed inspection, cost-effectiveness, and non-hazardous operation. Despite these advantages, no systems that would satisfy the project requirements were commercially available. Hence, one of the major efforts of the Michigan State University (MSU) team at the initial stage of the project was to close this technological gap by developing, optimizing, and validating array sensors that would provide sufficient sensitivity, spatial coverage, and resolution for robust defect detection. Optimization of the ACUT and EMT sensor designs was performed using experimentally validated finite element models. Initial experiments using array probes were conducted on relatively flat CFRP samples. In parallel, the MSU team designed and assembled a portable platform with two robotic arms. The robots were equipped with newly designed sensors that enabled high-speed NDE of curved CFRP parts. Presently, the developed robotic platform can be used as a demo/template NDE system, which is easily adaptable to manufacturing environments and in-line NDE. The ACUT NDE system developed by the MSU team used a high-power 4-channel pulser receiver for parallel data acquisition. The array probes were designed by stacking commercially available ACUT transducers, which operated in the frequency range between 100 kHz and 500 kHz. MSU optimized the excitation procedure and developed wave focusing cones so as to reduce the crosstalk between the transducers and to provide higher pulse repletion frequency (PRF). The through-transmission (TT) and single-side access (SSA) inspection modes were successfully implemented. In the TT-ACUT, structural defects in CFRP were detected by passing ultrasonic waves through the test part. Hence, the ACUT transmitters and receivers needed to be placed on the opposite sides of the test part. In the SSA-ACUT, guided waves (GW) were excited in the test part using the transmitters and were sensed by the receivers from the same side. Multi-channel TT-ACUT and SSA-ACUT provided high-speed NDE, and were successfully validated on CFRP test samples with interlaminar delaminations and other embedded defects The EM techniques developed by the MSU team included: 1) eddy current testing (ECT), 2) capacitive imaging (CI) and hybrid dual-mode imaging. In ECT, structural damage was detected in CFRP using coils sensor arrays. In ECT, the excitation magnetic field is generated by passing an alternating current through a coil, which is placed above the test sample. The excitation field penetrates the conductive sample and induces the eddy currents in its transect. In turn, the eddy currents generate the reaction field, which affects the total field sensed by a coil. Hence, the presence of structural flaws will alter the eddy current flow and the picked-up signal. ECT is mostly sensitive to local changes of the electric conductivity of the test sample, and CFRPs are mostly conductive in the direction of carbon fibers. Hence, ECT was well suited for the detection of fiber damage/fiber irregularities. The MSU team developed printed circuit boards (PCB) with coil sensor arrays optimized for NDE of CFRP. Unlike most commercial probes designed for ECT of metallic structures, the MSU array probes were designed for operation in [1-10] MHz frequency range, which was optimal for low-conductive CFRP. Multiple sensing topologies (coil groups excitation/sensing arrangements) were implemented and successfully validated. Capacitive Imaging (CI) technique developed by MSU was complementary to ECT. In contrast to ECT, which was sensitive to local changes of the electrical conductivity, the CI was sensitive to local changes of the dielectric constant. Therefore, CI could provide information about matrix damage/matrix irregularities in CFRP. The MSU CI sensor arrays were made of multiple circular or rectangular open-plate capacitors printed on PCB. Sensors of this type are not commercially available. In addition to ECT and CI, the MSU team developed a hybrid (dual-mode) inductive/capacitive measurement technique that synergistically combined the benefits of inductive and capacitive sensing for rapid NDE of fiber reinforced polymer (FRP) composite structures. Fiber damage and fiber irregularities in FRPs were detected by configuring hybrid sensors as coil sensors. Similarly, matrix damage, matrix irregularities and interlaminar delaminations were detected by configuring hybrid sensors as capacitive sensors. ECT and CI were performed sequentially by means of electronic switching. Hence, eliminating the need for mounting two separate sensor arrays on the probe. Portable robotic platform was developed by MSU for multi-technique high-speed NDE of CFRP test parts. The platform had two 6-axis robots, which enabled inspection of curved parts in approximately a 6×6×6 ft 3 active scan area. On the software side, the MSU team integrated scripts for NDE hardware control with scripts for robot motion control. MSU also implemented automated path planning for the robots, reconstruction of part’s surfaces via stereovision, 3D rendering of inspection data, and image processing algorithms for enhanced defect detection. Automotive composite parts manufactured by Plasan Composites from Phase I were used to validate the ACUT and EMT techniques on representative testbeds. Among those parts were three X-braces for a Dodge Viper, one composite calibration plaque with known defects at known locations, and four other test sections, including sections from a front splitter, a corner section from a composite hood, and a high-pressure RTM panel made using non crimp fabric. Other test samples included CFRP and GFRP calibration plates with fiber/matrix defects fabricated at MSU/CVRC.

36 MATERIALS SCIENCE↗

High-throughput cardiac safety evaluation and multi-parameter arrhythmia profiling of cardiomyocytes using microelectrode arrays

Microelectrode arrays (MEAs) recording extracellular field potentials of human-induced pluripotent stem cell-derived cardiomyocytes (hiPS-CM) provide a rich data set for functional assessment of drug response. The aim of this work is the development of a method for a systematic analysis of arrhythmia using MEAs, with emphasis on the development of six parameters accounting for different types of cardiomyocyte signal irregularities. We describe a software approach to carry out such analysis automatically including generation of a heat map that enables quick visualization of arrhythmic liability of compounds. We also implemented signal processing techniques for reliable extraction of the repolarization peak for field potential duration (FPD) measurement even from recordings with low signal to noise ratios. We measured hiPS-CM's on a 48 well MEA system with 5 minute recordings at multiple time points (0.5, 1, 2 and 4 h) after drug exposure. We evaluated concentration responses for seven compounds with a combination of hERG, QT and clinical proarrhythmia properties: Verapamil, Ranolazine, Flecainide, Amiodarone, Ouabain, Cisapride, and Terfenadine. The predictive utility of MEA parameters as surrogates of these clinical effects were examined. The beat rate and FPD results exhibited good correlations with previous MEA studies in stem cell derived cardiomyocytes and clinical data. The six-parameter arrhythmia assessment exhibited excellent predictive agreement with the known arrhythmogenic potential of the tested compounds, and holds promise as a new method to predict arrhythmic liability. - Highlights: • Six parameters describing arrhythmia were defined and measured for known compounds. • Software for efficient parameter extraction from large MEA data sets was developed. • The proposed cellular parameter set is predictive of clinical drug proarrhythmia.

60 APPLIED LIFE SCIENCES↗

Towards operational atmospheric correction of airborne hyperspectral imaging spectroscopy: Algorithm evaluation, key parameter analysis, and machine learning emulators

Atmospheric correction of airborne hyperspectral imaging spectroscopy (AHIS) to obtain high-quality surface reflectance is the prerequisite for remote sensing applications. Over the last decades, different atmospheric correction methods have been developed based on radiative transfer models (RTMs), however, the relative performances of different algorithms are unclear. Automated operational atmospheric correction methods to process large-volume AHIS data in a high-accurate and high-throughput manner are still lacking. Therefore, this study proposed an operational atmospheric correction pipeline for deriving surface reflectance from AHIS data. To ensure the accuracy and efficiency of the pipeline, we focused on three specific aspects: (1) selecting a suitable RTM for the development of atmospheric lookup tables (LUTs) by comparing the commercial MODerate resolution atmospheric TRANsmission (MODTRAN) and open-sourced Library for Radiative TRANsfer (LibRadTRAN) models, where the widely-used software, Atmospheric/Topographic Correction for Airborne Imagery (ATCOR), was used as benchmarks; (2) identifying key atmospheric correction parameters and determining suitable sources for parameter retrievals including AHIS, Moderate Resolution Imaging Spectroradiometer (MODIS), and AErosol RObotic NETwork (AERONET); and (3) testing the performance of using machine learning emulators to speed up the RTM-based atmospheric correction. Results indicate that (1) atmospheric correction based on MODTRAN LUTs can produce surface reflectance accurately with mean absolute errors < 0.05 and cosine similarities > 0.98 compared to field measurements, which is comparable to the software ATCOR and slightly outperforms the LibRadTRAN LUTs; (2) sobol global sensitivity analysis demonstrates that in the atmospheric correction, visibility and water vapor are two key parameters that can be accurately derived from AHIS in contrast to MODIS or AERONET data; and (3) Random Forest emulators can produce accurate estimations of surface reflectance with mean absolute errors < 0.03 and cosine similarities > 0.98 for higher processing efficiency and determine a suitable set of wavelengths for retrieving atmospheric visibility and water vapor. In conclusion, the proposed atmospheric correction pipeline also improved the four-stream radiative transfer theory for airborne applications by considering adjacent effects from airborne surrounding pixels and can also be applied for atmospheric correction of hyperspectral data from spaceborne missions.

47 OTHER INSTRUMENTATION↗

Development of an Advanced Simulator to Model Mobility Control and Geomechanics during CO 2 Floods

The simulator is an isothermal, three-dimensional, four-phase, compositional, equation-of–state (EOS) simulator. We have named the simulator UTDOE-CO2 capable of simulating various recovery processes (i.e., primary, secondary waterflooding, and miscible and immiscible gas flooding). We include both the Peng-Robinson EOS and the Redlich-Kwong EOS models. A Gibbs stability test is also included in the model to perform a phase identification test to consistently label each phase for subsequent property calculations such as relative permeability, viscosity, density, interfacial tension, and capillary pressure. Our time step strategy is based on an IMPEC-type method (implicit pressure and explicit concentration). The gridblock pressure is solved first using the explicit dating of saturation-dependent terms. Subsequently, the material balance equations are solved explicitly for the total concentration of each component. The physical dispersion term is also included in the governing equations. The simulator includes (1) several foam model(s) for gas mobility control, (2) compositional relative permeability models with the hysteresis option, (3) corner point grid and several efficient solvers, (4) geomechanics module to compute stress field as the result of CO 2 injection/production, (5) the format of commercial visualization software, S3graf from Science-soft Ltd., was implemented for user friendly visualization of the simulation results. All tasks are completed and the simulator was fully tested and delivered to the DOE office including a user’s guide and several input files and the executable for Windows Pcs. We have published several SPE papers, presented several posters, and one MS thesis is completed (V. Pudugramam, 2013) resulting from this DOE funded project.

02 PETROLEUM↗

Verification and Validation of the Stakeholder Tool for Assessing Radioactive Transportation (START) – 22323

The U.S. Department of Energy (DOE) Office of Integrated Waste Management is planning for the eventual transportation, storage, and disposal of spent nuclear fuel (SNF) and high-level radioactive waste (HLW) from nuclear power plant and DOE sites. The Stakeholder Tool for Assessing Radioactive Transportation (START) is a web-based, geospatial decision-support tool developed for evaluating routing options and other aspects of transporting SNF and HLW, covering rail, truck, barge, and intermodal infrastructure and operations in the continental United States. The verification and validation (V&V) process is intended to independently assess START to provide confidence in the ability of START to accurately provide intended results. The V&V process checks the START tool using a variety of methods, ranging from independent hand calculations to comparison of START performance and results to those of other codes. The V&V activity was conducted independently from the START development team with opportunities to provide feedback and collaborate throughout the process. The V&V analyzed attributes of transportation routes produced by START, including route distance and both population and population density captured within buffer zones around routes. Population in the buffer zone, population density in the buffer zone, and route distance were all identified as crucial outputs of the START code and were subject to V&V tasks. Some of the improvements identified through the V&V process were standardizing the underlying population data in START, changing the projection of the population raster data, and changes to the methodology used for population density to improve its applicability for expected users. This collaboration also led to suggested improvements to some of the underlying shape file segments within START. A formal series of test routes went through the V&V process from START version 3.2.1 following the implementation of the recommended improvements to START. The V&V of the buffer zone population and distance reported in START were achieved by utilizing a custom workflow developed in QGIS. This platform was chosen because it is fully independent of START. The buffer zone population and route distances in START showed excellent agreement to independent V&V test results. Over 200 route test cases were run; in all cases, the percent difference in the population within the buffer zone was less than +/- 5%, and the majority of cases were below +/- 1%. These cases were also duplicated in ArcMap, which is Environmental Systems Research Institute’s (ESRI) GIS desktop application. The ArcMap results also show good agreement; however, they cannot be considered independent of START because START also uses ESRI software. The V&V tasks are currently addressing population density and estimated radiation dose in START as well as implementing further automation of the V&V process to allow larger suites of test routes to be run more easily and quickly by less experienced GIS users. These improvements to the V&V process will make it a valuable tool for the development team and the stakeholders so that each new iteration of START can easily be checked for quality and consistency. This paper and presentation will describe the V&V process, findings and implications, and ongoing V&V activities.

START, DOE, Transporation, dose, GIS↗

Concept, implementation and commissioning of the automation system for the accelerator module test facility AMTF

The European XFEL project launched on June 5, 2007 will require about 103 accelerator modules as a main part of the XFEL linear accelerator. All superconducting components constituting the accelerator module like cavities and magnets have to be tested before the assembly. For the tests of the individual cavities and the complete modules an XFEL Accelerator Module Test Facility (AMTF) has been erected at DESY. The process control system EPICS (Experimental Physics and Industrial Control System) is used to control and operate the cryogenic plant and all its subcomponents. A complementary component of EPICS is the Open Source software suit CSS (Control System Studio). CSS is an integrated engineering, maintenance and operating tool for EPICS. CSS enables local and remote operating and monitoring of the complete system and thus represents the human machine interface. More than 250 PROFIBUS nodes work at the accelerator module test facility. DESY installed an extensive diagnostic and condition monitoring system. With these diagnostic tools it is possible to examine the correct installation and configuration of all PROFIBUS nodes in real time. The condition monitoring system based on FDT/DTM technology shows the state of the PROFIBUS devices at a glance. This information can be used for preventive maintenance which is mandatory for continuous operation of the AMTF facility. The poster will describe all steps form engineering to implementation and commissioning.

43 PARTICLE ACCELERATORS↗

Machine Learning Based Resilience Testing of an Address Randomization Cyber Defense

Moving target defenses (MTDs) are widely used as an active defense strategy for thwarting cyberattacks on cyber-physical systems by increasing diversity of software and network paths. Recently, machine Learning (ML) and deep Learning (DL) models have been demonstrated to defeat some of the cyber defenses by learning attack detection patterns and defense strategies. It raises concerns about the susceptibility of MTD to ML and DL methods. Here, in this article, we analyze the effectiveness of ML and DL models when it comes to deciphering MTD methods and ultimately evade MTD-based protections in real-time systems. Specifically, we consider a MTD algorithm that periodically randomizes address assignments within the MIL-STD-1553 protocol—a military standard serial data bus. Two ML and DL-based tasks are performed on MIL-STD-1553 protocol to measure the effectiveness of the learning models in deciphering the MTD algorithm: 1) determining whether there is an address assignments change i.e., whether the given system employs a MTD protocol and if it does 2) predicting the future address assignments. The supervised learning models (random forest and k-nearest neighbors) effectively detected the address assignment changes and classified whether the given system is equipped with a specified MTD protocol. On the other hand, the unsupervised learning model (K-means) was significantly less effective. The DL model (long short-term memory) was able to predict the future addresses with varied effectiveness based on MTD algorithm's settings.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

AENET–LAMMPS and AENET–TINKER : Interfaces for accurate and efficient molecular dynamics simulations with machine learning potentials

Machine-learning potentials (MLPs) trained on data from quantum-mechanics based first-principles methods can approach the accuracy of the reference method at a fraction of the computational cost. To facilitate efficient MLP-based molecular dynamics and Monte Carlo simulations, an integration of the MLPs with sampling software is needed. Here, we develop two interfaces that link the atomic energy network (ænet) MLP package with the popular sampling packages TINKER and LAMMPS. The three packages, ænet, TINKER, and LAMMPS, are free and open-source software that enable, in combination, accurate simulations of large and complex systems with low computational cost that scales linearly with the number of atoms. Scaling tests show that the parallel efficiency of the ænet–TINKER interface is nearly optimal but is limited to shared-memory systems. The ænet–LAMMPS interface achieves excellent parallel efficiency on highly parallel distributed memory systems and benefits from the highly optimized neighbor list implemented in LAMMPS. We demonstrate the utility of the two MLP interfaces for two relevant example applications: the investigation of diffusion phenomena in liquid water and the equilibration of nanostructured amorphous battery materials.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

NEAMS Thermal-Fluids Test Stand for Fluoride-Slat Cooled, High Temperature Reactor Development (Final CRADA Report)

The work performed in this CRADA resulted in significant progress toward the development of a Thermal-fluid test-stand based on NEAMS tools. Significant work has been achieved in this area with simulations performed in Nek5000 of the heat and fluid flow in twisted tube heat exchangers and various software and modeling improvements in SAM geared toward heat exchanger simulations. In particular a set of simulations of flow and heat transfer in twisted elliptical tube geometries has been performed with Nek5000. The method was validated by simulating a case at a moderate Reynolds number and relatively high Froude number. This case was demonstrated to predict a Nusselt number in excellent agreement with the applicable correlation found in literature. It was further shown that at lower Froude numbers, this agreement becomes much worse. Additional cases were then simulated with low Froude numbers for both a square and a triangular unit cell to test the effect of pitch-to-maximum diameter ratio for the purposes of future CFD modeling. The results have proven invaluable to understand the flow physics in twisted tubes and provide reference data for design. Results have been summarized in a conference article. Moreover, work in SAM has led to significant improvement of software quality, the creation of a set of benchmarks for natural circulation and other significant software improvement.

97 MATHEMATICS AND COMPUTING↗

MO-AB-206-02: Testing Gamma Cameras Based On TG177 WG Report

This education session will cover the physics and operation principles of gamma cameras and PET scanners. The first talk will focus on PET imaging. An overview of the principles of PET imaging will be provided, including positron decay physics, and the transition from 2D to 3D imaging. More recent advances in hardware and software will be discussed, such as time-of-flight imaging, and improvements in reconstruction algorithms that provide for options such as depth-of-interaction corrections. Quantitative applications of PET will be discussed, as well as the requirements for doing accurate quantitation. Relevant performance tests will also be described. Learning Objectives: Be able to describe basic physics principles of PET and operation of PET scanners. Learn about recent advances in PET scanner hardware technology. Be able to describe advances in reconstruction techniques and improvements Be able to list relevant performance tests. The second talk will focus on gamma cameras. The Nuclear Medicine subcommittee has charged a task group (TG177) to develop a report on the current state of physics testing of gamma cameras, SPECT, and SPECT/CT systems. The report makes recommendations for performance tests to be done for routine quality assurance, annual physics testing, and acceptance tests, and identifies those needed satisfy the ACR accreditation program and The Joint Commission imaging standards. The report is also intended to be used as a manual with detailed instructions on how to perform tests under widely varying conditions. Learning Objectives: At the end of the presentation members of the audience will: Be familiar with the tests recommended for routine quality assurance, annual physics testing, and acceptance tests of gamma cameras for planar imaging. Be familiar with the tests recommended for routine quality assurance, annual physics testing, and acceptance tests of SPECT systems. Be familiar with the tests of a SPECT/CT system that include the CT images for SPECT reconstructions. Become knowledgeable of items to be included in annual acceptance testing reports including CT dosimetry and PACS monitor measurements. T. Turkington, GE Healthcare.

61 RADIATION PROTECTION AND DOSIMETRY↗