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Solving Graph Laplacian Systems Through Recursive Bisections and Two-Grid Preconditioning

We present a parallelizable direct method for computing the solution to graph Laplacian-based linear systems derived from graphs that can be hierarchically bipartitioned with small edge cuts. For a graph of size n with constant-size edge cuts, our method decomposes a graph Laplacian in time O(n log n), and then uses that decomposition to perform a linear solve in time O(n log n). We then use the developed technique to design a preconditioner for graph Laplacians that do not have this property. Finally, we augment this preconditioner with a two-grid method that accounts for much of the preconditioner's weaknesses. We present an analysis of this method, as well as a general theorem for the condition number of a general class of two-grid support graph-based preconditioners. Numerical experiments illustrate the performance of the studied methods.

97 MATHEMATICS AND COMPUTING↗

Fracture Capabilities in Grizzly with the extended Finite Element Method (X-FEM)

Efforts are underway to develop fracture mechanics capabilities in the Grizzly code to enable it to be used to perform deterministic fracture assessments of degraded reactor pressure vessels (RPVs). A capability was previously developed to calculate three-dimensional interaction- integrals to extract mixed-mode stress-intensity factors. This capability requires the use of a finite element mesh that conforms to the crack geometry. The eXtended Finite Element Method (X-FEM) provides a means to represent a crack geometry without explicitly fitting the finite element mesh to it. This is effected by enhancing the element kinematics to represent jump discontinuities at arbitrary locations inside of the element, as well as the incorporation of asymptotic near-tip fields to better capture crack singularities. In this work, use of only the discontinuous enrichment functions was examined to see how accurate stress intensity factors could still be calculated. This report documents the following work to enhance Grizzly’s engineering fracture capabilities by introducing arbitrary jump discontinuities for prescribed crack geometries; X-FEM Mesh Cutting in 3D: to enhance the kinematics of elements that are intersected by arbitrary crack geometries, a mesh cutting algorithm was implemented in Grizzly. The algorithm introduces new virtual nodes and creates partial elements, and then creates a new mesh connectivity; Interaction Integral Modifications: the existing code for evaluating the interaction integral in Grizzly was based on the assumption of a mesh that was fitted to the crack geometry. Modifications were made to allow for the possibility of a crack front that passes arbitrarily through the mesh; and Benchmarking for 3D Fracture: the new capabilities were benchmarked against mixed-mode three-dimensional fracture problems with known analytical solutions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Potential energy savings with exterior shades in large office buildings and the impact of discomfort glare

Exterior shades are highly efficient for reducing solar load in commercial buildings. Their impact on net energy use depends on the annual energy balance of heating, cooling, fan and lighting energy. This paper discusses the overall energy use intensity of various external shading systems for a prototypical large office building split into the different types of energy use and for different orientations and window sizes. Lighting energy was calculated for a constant lighting power as well as for dimmed lighting fixtures (daylighting control). In Section 3, slat angles and solar cut-off angles were varied for fixed exterior slat shading systems. While the most light-blocking shades performed best for the case without daylighting controls, the optimum cut-off angle with daylighting controls was found to be 30 deg for the office building prototype used in Chicago and Houston. For large window-to-wall (WWR) ratios, window related annual energy use could be reduced by at least 70 % without daylighting control and by a minimum of 86 % with daylighting control in average over all orientations. The occurrence of discomfort glare was is considered in Section 4 of the paper, which looks at the performance of commercially available exterior shading systems when an interior shade is used in addition to the exterior shade during hours when occupants would experience discomfort glare. Glare control impacts overall energy use intensity significantly for exterior shades with high transmittance, especially when daylighting controls are used. In these cases, exterior shades are only beneficial for window-to-wall areas ≥ 45% in the hot Houston climate. For smaller windows and in a heating/cooling climate like Chicago, exterior shades can increase energy consumption

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

High Performance Computing Facility Operational Assessment 2015: Oak Ridge Leadership Computing Facility

Oak Ridge National Laboratory’s (ORNL’s) Leadership Computing Facility (OLCF) continues to surpass its operational target goals: supporting users; delivering fast, reliable systems; creating innovative solutions for high-performance computing (HPC) needs; and managing risks, safety, and security aspects associated with operating one of the most powerful computers in the world. The results can be seen in the cutting-edge science delivered by users and the praise from the research community. Calendar year (CY) 2015 was filled with outstanding operational results and accomplishments: a very high rating from users on overall satisfaction that ties the highest-ever mark set in CY 2014; the greatest number of core-hours delivered to research projects; the largest percentage of capability usage since the OLCF began tracking the metric in 2009; and success in delivering on the allocation of 60, 30, and 10% of core hours offered for the INCITE (Innovative and Novel Computational Impact on Theory and Experiment), ALCC (Advanced Scientific Computing Research Leadership Computing Challenge), and Director’s Discretionary programs, respectively. These accomplishments, coupled with the extremely high utilization rate, represent the fulfillment of the promise of Titan: maximum use by maximum-size simulations. The impact of all of these successes and more is reflected in the accomplishments of OLCF users, with publications this year in notable journals Nature, Nature Materials, Nature Chemistry, Nature Physics, Nature Climate Change, ACS Nano, Journal of the American Chemical Society, and Physical Review Letters, as well as many others. The achievements included in the 2015 OLCF Operational Assessment Report reflect first-ever or largest simulations in their communities; for example Titan enabled engineers in Los Angeles and the surrounding region to design and begin building improved critical infrastructure by enabling the highest-resolution Cybershake map for Southern California to date. The Titan system provides the largest extant heterogeneous architecture for computing and computational science. Usage is high, delivering on the promise of a system well-suited for capability simulations for science. This success is due in part to innovations in tracking and reporting the activity on the compute nodes, and using this information to further enable and optimize applications, extending and balancing workload across the entire node. The OLCF continues to invest in innovative processes, tools, and resources necessary to meet continuing user demand. The facility’s leadership in data analysis and workflows was featured at the Department of Energy (DOE) booth at SC15, for the second year in a row, highlighting work with researchers from the National Library of Medicine coupled with unique computational and data resources serving experimental and observational data across facilities. Effective operations of the OLCF play a key role in the scientific missions and accomplishments of its users. Building on the exemplary year of 2014, as shown by the 2014 Operational Assessment Report (OAR) review committee response in Appendix A, this OAR delineates the policies, procedures, and innovations implemented by the OLCF to continue delivering a multi-petaflop resource for cutting-edge research. This report covers CY 2015, which, unless otherwise specified, denotes January 1, 2015, through December 31, 2015.

97 MATHEMATICS AND COMPUTING↗

International symposium on clusters and nanomaterials (energy and life-sciences applications)

The International Symposium on Clusters and Nanomaterials was held in Richmond, Virginia during October 26-29, 2015. The symposium focused on the roles clusters and nanostructures play in solving outstanding problems in clean and sustainable energy and life sciences applications; two of the most important issues facing science and society. Many of the materials issues in renewable energies, environmental impacts of energy technologies as well as beneficial and toxicity issues of nanoparticles in health are intertwined. Realizing that both fundamental and applied materials issues require a multidisciplinary approach the symposium provided a forum by bringing researchers from physics, chemistry, materials science, and engineering fields to share their ideas and results, identify outstanding problems, and develop new collaborations. Clean and sustainable energy sessions addressed challenges in production, storage, conversion, and efficiency of renewable energies such as solar, wind, bio, thermo-electric, and hydrogen. Environmental issues dealt with air- and water-pollution and conservation, environmental remediation and hydrocarbon processing. Topics in life sciences included therapeutic and diagnostic methods as well as health hazards attributed to nanoparticles. Cross-cutting topics such as reactions, catalysis, electronic, optical, and magnetic properties were also covered. The symposium attracted 132 participants from 24 countries in the world. It featured 39 invited speakers in 14 plenary sessions, in addition to one key-note session. Eighty-five contributed papers were presented in two poster sessions and 14 papers from this list were selected to be presented orally at the end of each session to highlight hot topics. Papers presented at the symposium were reviewed and published in SPIE so that these can reach a wide audience. The symposium was highly interactive with ample time allotted for discussions and making new collaborations. The participants’ response was that this was a high quality conference and covered topics at the cutting edge of science and technology. The symposium was endorsed by the American Physical Society, The Materials Research Society, SPIE, The Metallurgical Society, and the American Vacuum Society. The symposium was supported by external grants from the National Science Foundation and the Department of Energy as well as by internal grants from Virginia Commonwealth University (Offices of the President, Provost and Vice President of Academic Affairs, Vice President of Research, Vice Provost for Life Sciences, Dean of the College of Humanities and Sciences, and the Dean of the School of Engineering). The funding from DOE was used to support partial expenses of invited speakers, students and postdoctoral fellows.

36 MATERIALS SCIENCE↗

Report on the completion of the procurement of the first heat of Alloy 709

This report provides details on the completion of the procurement of the first commercial-sized heat of Alloy 709. The report is a Level 3 deliverable in FY17 (M3AT- 17OR1602053), under the Work Package AT-17OR160205, “Advanced Alloy Development” performed by Oak Ridge National Laboratory, as part of Advanced Structural Materials Program for the Advanced Reactor Technologies (ART). This work project supports the fabrication scale up effort for Alloy 709 that was started in FY16. The effort culminated in the placement of a Purchase Order in August 2016 with a commercial vendor to melt an Alloy 709 heat using industrial melt practice. Four ingots, totaling about 45,000 lb, had been bottom-poured from the melt in September 2016. Two of the ingots were hot rolled into 1.2”x60”x155” and 1.1”x60”x100” plates using standard hot rolling process in FY17. Some small test pieces were cut from the asrolled plates and sent to Argonne National Laboratory (ANL) for archival. The plates were then heat treated and surface pickled by the vendor. The plates were subsequently delivered to ANL and Oak Ridge National Laboratory (ORNL). Properties and microstructure screening were performed on these plates upon delivery in February 2017 at ANL. Several samples were cut from the as-rolled and heattreated plates and were analyzed for their microstructures, hardness values, grain sizes, and room temperature tensile properties. The results indicate that the scaled-up heat of Alloy 709 fabricated using commercial practice exhibit tensile properties that exceed the minimum values specified in the ASME Code Case for commercial heat of NF709. These plates will be used to support base metal testing for the 650°C, 100,000-h Alloy 709 Code Case development, for fabrication of weldments, and for the NEUP projects.

36 MATERIALS SCIENCE↗

A Public-Private-Acadmic Partnership to Advance Solar Power Forecasting

The National Center for Atmospheric Research (NCAR) is pleased to have led a partnership to advance the state-of-the-science of solar power forecasting by designing, developing, building, deploying, testing, and assessing the SunCast™ Solar Power Forecasting System. The project has included cutting edge research, testing in several geographically- and climatologically-diverse high penetration solar utilities and Independent System Operators (ISOs), and wide dissemination of the research results to raise the bar on solar power forecasting technology. The partners include three other national laboratories, six universities, and industry partners. This public-private-academic team has worked in concert to perform use-inspired research to advance solar power forecasting through cutting-edge research to advance both the necessary forecasting technologies and the metrics for evaluating them. The project has culminated in a year-long, full-scale demonstration of provide irradiance and power forecasts to utilities and ISOs to use in their operations. The project focused on providing elements of a value chain, beginning with the weather that causes a deviation from clear sky irradiance and progresses through monitoring and observations, modeling, forecasting, dissemination and communication of the forecasts, interpretation of the forecast, and through decision-making, which produces outcomes that have an economic value. The system has been evaluated using metrics developed specifically for this project, which has provided rich information on model and system performance. Research was accomplished on the very short range (0-6 hours) Nowcasting system as well as on the longer term (6-72 hour) forecasting system. The shortest range forecasts are based on observations in the field. The shortest range system, built by Brookhaven National Laboratory (BNL) and based on Total Sky Imagers (TSIs) is TSICast, which operates on the shortest time scale with a latency of only a few minutes and forecasts that currently go out to about 15 min. This project has facilitated research in improving the hardware and software so that the new high definition cameras deployed at multiple nearby locations allow discernment of the clouds at varying levels and advection according to the winds observed at those levels. Improvements over “smart persistence” are about 29% for even these very short forecasts. StatCast is based on pyranometer data measured at the site as well as concurrent meteorological observations and forecasts. StatCast is based on regime-dependent artificial intelligence forecasting techniques and has been shown to improve on “smart persistence” forecasts by 15-50%. A second category of short-range forecasting systems employ satellite imagery and use that information to discern clouds and their motion, allowing them to project the clouds, and the resulting blockage of irradiance, in time. CIRACast (the system produced by the Cooperative Institute for Atmospheric Research [CIRA] at Colorado State University) was already one of the more advanced cloud motion systems, which is the reason that team was brought to this project. During the project timeframe, the CIRA team was able to advance cloud shadowing, parallax removal, and implementation of better advecting winds at different altitudes. CIRACast shows generally a 25-40% improvement over Smart Persistence between sunrise and approximately 1600 UTC (Coordinated Universal Time) . A second satellite-based system, MADCast (Multi-sensor Advective Diffusive foreCast system), assimilates data from multiple satellite imagers and profilers to assimilate a fully three-dimensional picture of the cloud into the dynamic core of WRF. During 2015, MADCast (provided at least 70% improvement over Smart Persistence, with most of that skill being derived during partly cloudy conditions. That allows advection of the clouds via the Weather Research and Forecasting (WRF) model dynamics directly. After WRF-Solar™ showed initial success, it was also deployed in nowcasting mode with coarser runs out to 6 hours made hourly. It provided improvements on the order of 50-60% over Smart Persistence for forecasts up to 1600 UTC. The advantages of WRF-Solar-Nowcasting and MADCast were then blended to develop the new MAD-WRF model that incorporates the most important features of each of those models, both assimilating satellite cloud fields and using WRF-So far physics to develop and dissipate clouds. MAE improvements for MAD-WRF for forecasts from 3-6 hours are improved over WRF-Solar-Now by 20%. While all the Nowcasting system components by themselves provide improvement over Smart Persistence, the largest benefit is derived when they are smartly blended together by the Nowcasting Integrator to produce an integrated forecast. The development of WRF-Solar™ under this project has provided the first numerical weather prediction (NWP) model specifically designed to meet the needs of irradiance forecasting. The first augmentation improved the solar tracking algorithm to account for deviations associated with the eccentricity of the Earth’s orbit and the obliquity of the Earth. Second, WRF-Solar™ added the direct normal irradiance (DNI) and diffuse (DIF) components from the radiation parameterization to the model output. Third, efficient parameterizations were implemented to either interpolate the irradiance in between calls to the expensive radiative transfer parameterization, or to use a fast radiative transfer code that avoids computing three-dimensional heating rates but provides the surface irradiance. Fourth, a new parameterization was developed to improve the representation of absorption and scattering of radiation by aerosols (aerosol direct effect). A fifth advance is that the aerosols now interact with the cloud microphysics, altering the cloud evolution and radiative properties, an effect that has been traditionally only implemented in atmospheric computationally costly chemistry models. A sixth development accounts for the feedbacks that sub-grid scale clouds produce in shortwave irradiance as implemented in a shallow cumulus parameterization Finally, WRF-Solar™ also allows assimilation of infrared irradiances from satellites to determine the three dimensional cloud field, allowing for an improved initialization of the cloud field that increases the performance of short-range forecasts. We find that WRF-Solar™ can improve clear sky irradiance prediction by 15-80% over a standard version of WRF, depending on location and cloud conditions. In a formal comparison to the NAM baseline, WRF-Solar™ showed improvements in the Day-Ahead forecast of 22-42%. The SunCast™ system requires substantial software engineering to blend all of the new model components as well as existing publically available NWP model runs. To do this we use an expert system for the Nowcasting blender and the Dynamic Integrated foreCast (DICast®) system for the NWP models. These two systems are then blended, we use an empirical power conversion method to convert the irradiance predictions to power, then apply an analog ensemble (AnEn) approach to further tune the forecast as well as to estimate its uncertainty. The AnEn module decreased RMSE (root mean squared error) by 17% over the blended SunCast™ power forecasts and provided skill in the probabilistic forecast with a Brier Skill Score of 0.55. In addition, we have also developed a Gridded Atmospheric Forecast System (GRAFS) in parallel, leveraging cost share funds. An economic evaluation based on Production Cost Modeling in the Public Service Company of Colorado showed that the observed 50% improvement in forecast accuracy will save their customers $819,200 with the projected MW deployment for 2024. Using econometrics, NCAR has scaled this savings to a national level and shown that an annual expected savings for this 50% forecast error reduction ranges from $11M in 2015 to $43M expected in 2040 with increased solar deployment. This amounts to a $455M discounted savings over the 26 year period of analysis.

14 SOLAR ENERGY↗

Searching for Heavy Photons with Detached Verices in the Heavy Photon Search Experiment

The Jefferson Lab Heavy Photon Search (HPS) experiment is searching for a hypothetical massive particle called the heavy photon which could mediate a dark electromagnetic-type force. If heavy photons kinetically mix with Standard Model photons, they may be radiated by electrons scattering from a heavy nucleus and then decay to e+e- pairs. HPS uniquely searches for heavy photons that either decay at the target or a measurable distance after. The experiment utilizes a silicon vertex tracker (SVT) for momentum and vertex reconstruction, together with an electromagnetic calorimeter for measuring particle energies and triggering events. The HPS experiment took its first data during the spring 2015 engineering run using a 1 GeV electron beam incident on a tungsten target and its second data in the spring of 2016 at a beam energy of 2.3 GeV. The 2015 run obtained two days of production data that was used for the first physics results. The analysis of the data was conducted as a blinded analysis by tuning cuts on 10% of the data. This dissertation discusses the displaced vertex search for heavy photons in the 2015 engineering run. It describes the theoretical motivation for looking for heavy photons and provides an overview of the HPS experimental design and performance. The performance details of the experiment are primarily derived from the 2015 engineering run with some discussion from the higher energy running in 2016. This dissertation further discusses the cuts used to optimize the displaced vertex search and the results of the search. The displaced vertex search did not set a limit on the heavy photon but did validate the methodology for conducting the search. Finally, we used the full data set to make projections and guide future analyses.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Coeur d’Alene Tribe Benewah Market Energy Efficiency Project Final Technical Report

The Coeur d’Alene Reservation has been the home of the Coeur d’Alene Tribe since time immemorial and it is fitting that the Tribe’s name in the Coeur d’Alene language is schitsu’umsh, “the ones who were found here.” The Reservation is located in northern Idaho, is approximately 345,000 acres and is comprised of forest land, agricultural land, several streams, Coeur d’Alene Lake and the St. Joe River and a small amount of developed land. The project area was conducted within the boundaries of the Coeur d’Alene Reservation. The population of the Reservation is 6,760 (2010 Census). Currently, there are approximately 2,463 enrolled Coeur d’Alene Tribal members (Coeur d’Alene Tribe Enrollment 2016). The Benewah Market is a Tribally-owned and operated facility located at 1111 B St. Plummer, ID 83851. The Benewah Market is an approximately 23,500 square foot single-story structure. The majority of the building is occupied by a grocery store with a full meat department, deli, and bakery. Approximately 20% of the floor area at the northeast corner is occupied by an Ace Hardware retailer. The largest part of the building is approximately 17,000 square feet, is separately metered and houses the grocery store which was constructed in 1984. The market is the largest full service market serving the Coeur d’Alene Reservation and is the only full service market in a 35-mile radius. The Tribe has benefited greatly from the Benewah Market Energy Efficiency Project and will continue to do so for many years: The health and safety of the food has been improved greatly now that the refrigeration and freezer cases are at a constant and safe temperature on a monitoring and alarm system. There is no longer a thaw and freeze cycle that allows fluctuations in temperature. If the power goes out, there is an immediate alarm and contact so that time may be tracked and food kept safe during an outage. The overall annual energy use in the Benewah Market has dropped by 22.9% -Energy costs for the Market decreased by an estimated 11,620 dollars in one year due to this project. The Tribe has seen an increase in the cost of energy from Plummer Power and this was offset by the reduction in energy consumed. This estimate assumes that the Tribe would have consumed the same amount of energy as the prior year. -Maintenance costs are estimated to have decreased by $10,000 in just the one year since installation in contract repair and maintenance. The Tribe estimates that it has saved 24,000 dollars over a one-year time period in labor costs to maintain the older system. Due to having a more efficient store, with safer, more attractive display of food and lower energy and maintenance costs, the store is able to be more viable economically. The store has increased its sales and has been able to pass along operations and maintenance savings to its customers and employees. The Tribe hosted a ribbon-cutting ceremony on February 28, 2017 at the Benewah Market with Chris Deschene, then Office of Indian Energy Director, as well as representatives from the Coeur d’Alene Tribe and Bonneville Power Administration. While the ribbon-cutting ceremony was going on, the Tribe’s media outlets covered the ceremony and placed information about the project on the Tribe’s Facebook page on two separate occasions. The Coeur d’Alene Tribe’s Natural Resources Department and the Tribe’s Development Corporation are thankful for the opportunity that the Benewah Market Energy Efficiency Project has afforded the Coeur d’Alene Tribal community. Without the U.S. Department of Energy’s Indian Energy Program funding and its dedicated staff, this project would not have been completed. This has been a lot of work for all parties involved but has provided benefits to thousands of people for many years to come.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Simulations and Data analysis for the 35 ton Liquid Argon detector as a prototype for the DUNE experiment

The Deep Underground Neutrino Experiment (DUNE) is a next-generation neutrino experiment which will be built at the Sanford Underground Research Facility (SURF), and will receive a wide-band neutrino beam from Fermilab, 1300~km away. At this baseline DUNE will be able to study many of the properties of neutrino mixing, including the neutrino mass hierarchy and the value of the CP-violating complex phase ($\delta_{CP}$). DUNE will utilise Liquid Argon (LAr) Time Projection Chamber (TPC) (LArTPC) technology, and the Far Detector (FD) will consist of four modules, each containing 17.1~kt of LAr with a fiducial mass of around 10~kt. Each of these FD modules represents around an order of magnitude increase in size, when compared to existing LArTPC experiments. \\ The 35 ton detector is the first DUNE prototype for the single (LAr) phase design of the FD. There were two running periods, one from November 2013 to February 2014, and a second from November 2015 to March 2016. During t he second running period, a system of TPCs was installed, and cosmic-ray data were collected. A method of particle identification was developed using simulations, though this was not applied to the data due to the higher than expected noise level. A new method of determining the interaction time of a track, using the effects of longitudinal diffusion, was developed using the cosmic-ray data. A camera system was also installed in the detector for monitoring purposes, and to look for high voltage breakdowns. \\ Simulations concerning the muon-induced background rate to nucleon decay are performed, following the incorporation of the MUon Simulations UNderground (MUSUN) generator into the DUNE software framework. A series of cuts which are based on Monte Carlo truth information is developed, designed to reject simulated background events, whilst preserving simulated signal events in the $n \rightarrow K^{+} + e^{-}$ decay channel. No background events are seen to survive the app lication of these cuts in a sample of 2~$\times$~10$^9$ muon! s, representing 401.6~years of detector live time. This corresponds to an annual background rate of <~0.44~events$\cdot$Mt$^{-1}\cdot$year$^{-1}$ at 90\% confidence, using a fiducial mass of 13.8~kt.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

CCS Tool Training [Slides]

CCS Tool Overview: This is a collection of purpose built tools for crimping, cutting, and sealing pressurized tube systems for the purpose of stabilizing systems for emergency response mitigation missions. Three tool systems allowing for positive action on various deployed systems: 1. Nicopress (Commercial, off the shelf [COTS]) 2. Lawrence Livermore National Laboratory Tool (custom built) 3. Los Alamos National Laboratory Tool (custom built) Each tool has a specific application, determined by the system, tubing to be crimped, cut, or sealed, and the available space to apply the tool.

42 ENGINEERING↗

Life Cycle Inventory of Current Photovoltaic Module Recycling Processes in Europe

With the rapid and accelerating growth of PV module installation and an increase of PV modules from the nineteen eighties and nineties reaching the end of their 30 year lifespan, their proper end of life treatment gets into focus. This report deals with the approaches, the environmental impacts and the recovered materials of PV module recycling. In this report, the environmental life cycle assessment of the current generation recycling of crystalline silicon (c-Si) and cadmium telluride (CdTe) PV modules is described. Due to the still limited waste stream today, c-Si PV modules are mainly treated in recycling plants designed for treatment of laminated glass, metals or electronic waste. Only the bulk materials glass, aluminium and copper are recovered, while the cells and other materials such as plastics are incinerated. CdTe PV modules have been treated in dedicated recycling plants for many years and life cycle inventories of this process have been published. The semiconductor is recovered in addition to glass and copper. Life cycle inventories of the recycling of current c-Si and CdTe PV modules are compiled following two modelling approaches related to recycling. The cut-off approach uses economic allocation to divide the total efforts of the recycling process between the treatment of the used PV module and the recovered products. The end-of-life approach considers the recycling process separately from the potentially avoided burdens due to recovered materials. The life cycle inventories of c-Si PV module recycling are based on data obtained from four European recyclers surveyed between 2015 and 2016. For CdTe PV module recycling, the life cycle inventories were established based on published data for the First Solar recycling facility in Germany. The life cycle impact assessment is done based on six environmental indicators previously identified as most relevant for PV electricity: particulate matter, freshwater ecotoxicity, human toxicity non-cancer effects, human toxicity cancer effects, mineral, fossil and renewable resource depletion and climate change. The life cycle inventories according to the cut-off approach can be applied to complement existing life cycle inventory data on PV systems. The environmental impacts of the recycling of c-Si PV modules are very small (maximum 1.1 %) compared to the impacts caused by the production of a 3 kWp residential PV system mounted on a slanted roof. In the case of CdTe PV module recycling, the treatment of the PV panels has the highest but still rather minor contribution in the indicator climate change (4.8 %). The life cycle inventories according to the end-of-life approach allow an assessment of the net environmental benefits of recycling. The recovery of glass, metals, and semiconductor material from c-Si and CdTe PV modules causes lower environmental impacts than the extraction, refinement and supply of the respective materials from primary resources. The highest potential benefits are observed in the indicator mineral, fossil and renewable resource depletion. The data quality of the recycling of c-Si PV modules is classified as fair since only limited information is available. In contrast, the data quality of CdTe PV module recycling is considered very good. The study was financed by the Swiss Federal Office of Energy (SFOE) and carried out in the framework of the Task 12 of the Photovoltaic Powers System Programme (PVPS) of the International Energy Agency (IEA).

14 SOLAR ENERGY↗

Electron-neutrino selection and reconstruction in the MicroBooNE LArTPC using the Pandora multi-algorithm pattern recognition

MicroBooNE (the Micro Booster Neutrino Experiment) is a liquid argon time-projection chamber experiment designed for short-baseline neutrino physics, currently running at Fermilab. It aims to address the anomalous excess of low-energy events observed by the MiniBooNE experiment. In this note we present a fully automated event selection algorithm to identify charged-current electron neutrino event candidates with no pions and at least one proton in the final state (ν e CC0π-Np). The efficiency of the current selection algorithm is (46.5±0.3) %. We also show some cuts on kinematic and geometric variables which reject background events. These cuts have been validated by analyzing two event samples orthogonal to our signal. Future improvements have been identified which will improve the reconstruction efficiency, especially at low energy.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Impact of Crystalline Silicotitanate Particle Size on Cesium Removal Efficiency

Washington River Protection Solutions is working on a Tank-Side Cesium Removal (TSCR) system to remove Cs from Hanford tank waste supernate. Removal of 137 Cs from tank waste supernate by TSCR results in a low-activity waste (LAW) form that can be fed directly to the Hanford Waste Treatment and Immobilization Plant (WTP) LAW vitrification facility, where the supernate can be vitrified into a glass form. Crystalline silicotitanate (CST) ion exchange media, manufactured by Honeywell UOP, LLC (product IONSIV TM R9140-B), was selected for use as the ion exchange media to remove Cs at TSCR. The particle size used in testing is expected to impact the kinetic performance of the ion exchange media. Therefore, two single-column systems were tested with CST Lot 2002009604. One column contained <25 mesh sieve cut fraction and the other column contained <35 mesh sieve cut fraction. Flowrate through both test systems was adjusted to match the CST contact time expected for the full-scale operation, i.e., matched bed volumes per hour (BV/h) at 1.83 BV/h. The feed was processed downflow through the columns until ~1000 BVs of feed were processed. The waste acceptance criteria (WAC) limit for the WTP LAW vitrification facility is <3.18E-5 Ci 137 Cs per mole Na. For a tank waste containing 156 µCi/mL 137 Cs and 5.6 M Na, up to 0.114% of the influent 137 Cs concentration may be delivered to the WTP (based on 137 Cs content in AP-107 tank waste); this required a Cs decontamination factor of 876. The WAC limit was used as one of the relevant process parameters, along with the 50% breakthrough point, Cs loading per gram of CST, and the mass transfer zone.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Stingray Case Study

Improvised explosive devices (IEDs) have injured and killed numerous soldiers and civilians as a consequence of military operations in the Middle East. With gaps in existing technologies, the US military required devices for quickly addressing deadly IEDs without harming military personnel or inflicting severe damage to the environment. In response to this need, Sandia developed Stingray, a clear, plastic handheld device to quickly and safely disable threatening IEDs. Stingray is designed to be used in two configurations: a coherent water blade for cutting operations and as a water slug for general device disruption. Prior to disabling an IED, Explosive Ordnance Disposal (EOD) technicians will x-ray the target using tools such as Sandia's X-ray Toolkit (XTK) to determine which function operators should use to dismantle the IED. For example, if the operator knows exactly which wires to cut, they can use the precision water blade. If the operator wants to create a general disruption, they can use the water slug function.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Counterflow Virtual Impactor (CVI) Inlet Aboard Aircraft (INLETCVI-AIR) Instrument Handbook

The counterflow virtual impactor (CVI) inlet separates out and samples cloud elements via inertial impaction. Warm, dry, particle-free carrier gas of known composition is pumped to the tip of the inlet in the direction opposite of the flow of air. The flow lines of the incoming free stream air are split. Larger droplets and ice crystals suspended in the sample air have enough inertia to penetrate the counterflow and enter the sample flow, while smaller, unactivated particles follow the streamlines of the air flowing around the inlet’s tip (Noone et al. 1988). The instrument is capable of sampling cloud elements as a function of cut size by changing the velocity of counterflow at the probe tip. The CVI cut size is usually defined as a diameter of a smallest particle for which penetration rate is 50%. For the U.S. Department of Energy (DOE) Atmospheric Radiation Measurement (ARM) user facilityGulfstream-159 aircraft’s CVI inlet, that value is usually around 13 microns. The dry heated air, normally used as the carrier gas, also serves to evaporate water from the hydrometeor, leaving the residuals to be sampled by in-cabin aerosol instrumentation. The number concentration of the droplet residue in the CVI sample line is usually increased with respect to corresponding cloud element number concentration. The CVI performance as a concentrator is usually described via CVI enhancement factor, which is a conversion factor between ambient volumetric concentration (not adjusted to standard temperature and pressure) and volumetric concentration in the CVI sample line.

54 ENVIRONMENTAL SCIENCES↗

Small to Full Height Scale Comparisons of Cesium Ion Exchange Performance with Crystalline Silicotitanate

The U.S. Department of Energy’s (DOE) Hanford Site houses 56 million gallons of high-level radioactive waste generated from plutonium production from 1944 to 1988. The supernatant waste, currently stored in underground tanks, is intended to be vitrified following filtration and 137 Cs removal at the Hanford Waste Treatment and Immobilization Plant (WTP) Low-Activity Waste (LAW) Vitrification Facility. The WTP Pretreatment Facility will not be operational for several years. The Tank Side Cesium Removal (TSCR) system is a technology demonstration that will remove cesium from tank waste supernate to support directly feeding LAW to the vitrification facility. The 137 Cs removal is important to meet the WTP LAW contract specification and ultimately for creating a contact-handled waste form. The waste acceptance criteria (WAC) limit for the WTP LAW Facility is <3.18E-5 Ci 137 Cs per mole Na. The TSCR system is skid mounted and employs two key technologies: dead end filtration for solids removal and ion exchange (IX) for cesium removal. Filtration is necessary to protect the functionality of the IX columns. The IX process utilizes sodium form crystalline silicotitanate (CST) IX media produced by UOP Honeywell, LLC (Des Plaines, IL) under the product name IONSIV R9140-B, 18 x 50 mesh, in a lead-lag-polish column configuration. Each column contains a CST bed height of 92 inches and a volume of approximately 157 gallons of CST IX media. The full-scale TSCR operation will run at a residence time of 1.9 bed volumes (BV)/h, which results in a superficial velocity of 7.3 cm/min and a flowrate of ~5 gal/min. Column testing at small (2.5% of the full bed height), medium (12% of the full bed height), and full-height scales has been previously conducted to evaluate process variables and scale up performance of Cs exchange onto the CST. Cesium load performances from various sieve cuts at the small scale indicated that a 30-mesh sieve cut be tested to determine if it better reflects the 12% and full-height column performances at the small scale. Two process flowrates were tested in the small-column configuration with <30-mesh CST and simulant solutions. These tests were compared to full-height column tests at the same residence times to assess CST particle size effect on column scaling. Table S.1 summarizes the observed column performance determined for the two flowrates juxtaposed to the previous work with 5.6 M Na simulant at higher scales (used as benchmarks). The WAC breakthroughs between the small and full-height tests at 1.3 BV/h differed by ~59 BVs. The WAC breakthroughs for small, medium, and full-height tests at 1.8 BV/h were consistent at 240 BVs. The 50% Cs breakthroughs were nominally equivalent for all column tests. The common transition zones and onsets of Cs breakthrough at the 1.8 BV/h tests indicated that the Cs mass transfers were equivalent and thus the <30-mesh CST Cs load performance at the small scale successfully modeled that of the full-height system. It is recommended that the <30-mesh CST be used in subsequent 10-mL CST bed tests.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Reduction of CO 2 Emissions Through Lightweight Body Panels (Project Final Report)

Lightweight construction is an integral part of Volkswagen’s overall strategy of reducing CO 2 emissions. Due to its low cost, steel is the most commonly used material for automotive exterior body panels today. Unfortunately, steel has a high density, resulting in a relatively low specific strength. Glass fiber based sheet molding compounds (SMC) provide high properties in combination with lower density. The high specific strength of SMC offers an enormous lightweight potential. To unlock the full potential of SMC materials in combination with cutting edge manufacturing processes, Volkswagen Group of America worked together with IACMI (Institute for Advanced Composites Manufacturing Innovation) and the academic partners: University of Tennessee Knoxville, Purdue University and Michigan State University; as well as the industry partners: Ashland, IDI, Owens Corning and Continental Structural Plastics. Leveraging the expertise of all project partners, reaching over the entire supply chain the project demonstrated the potential of these materials. This report will highlight the major steps in the development process on the way to technology readiness for SMC using the example of the Volkswagen Atlas Liftgate. Over the 36-month period of the project, the work focused on three R&D areas: material development, design and simulation, and development of the manufacturing process. Material selection included alternative fibers and resin systems, and accounted for material availability, properties, and cost-efficiency. The work undertaken in the field of design and simulation has pushed the envelope of short fiber reinforced thermoset molding compound process simulation. Design iterations were virtually tested, while the final design was used to validate the simulation software against physical parts. Manufacturing development used cutting-edge technology, while experts along the supply chain were working together to ensure the best possible results. In the final stage of the project, liftgates were molded, trimmed, bonded, painted and assembled before exhaustive testing. The result is an e-coat (electrophoretic dip coating) capable Class-A SMC liftgate, which is ready for high-volume production, and can be used as a technology demonstrator. The prototypes manufactured in the scope of this work have exhibited a mass reduction for the Volkswagen Atlas liftgate of up to 35% compared to the series production steel version, without a degradation of the functionalities.

36 MATERIALS SCIENCE↗