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Community Planning for Solar: Conducting Focus Groups for Solar Planning

This guide is designed to assist community officials, volunteers, and regional planning agency staff in conducting preliminary community meetings to learn about attitudes towards solar energy in your community. The guide will provide the key steps, timelines, facilitators' guide, and tips for hosting successful focus groups. Focus groups are meetings with a small group that represent a diversity of perspectives in your community. These differ from an open meeting in that focus groups include very specific questions that are prepared in advance, and all participants are given time to respond and understand various perspectives about solar energy. The guide concludes with a suggested template for reporting the results of your focus group or community meeting to your community more broadly. Holding community focus groups is part of assessing community preferences, as part of the Community Planning for Solar toolkit (ag.umass.edu/solarplanning). This guide is designed to help municipalities in Massachusetts and other states proactively plan for solar development in their communities. For more information, visit the UMass Clean Energy Extension (CEE) website (ag.umass.edu/clean-energy).

14 SOLAR ENERGY↗

Final Report: Process Models of the Equilibrium Size & State of Organic/Inorganic Aerosols for the Development of Large Scale Atmospheric Models & the Analysis of Field Data

Our work addressed the following elements of the Call for Proposals: (i) “to improve the theoretical representation of aerosol processes studied in ASP laboratory or field studies”, (ii) “to enhance the incorporation of aerosol process information into modules suitable for large-scale or global atmospheric models”, and (iii) “provide systematic experimental validation of process model predictions ... using data from targeted laboratory and field experiments”. Achievements to the end of 2012 are described in four previous reports, and include: new models of densities and surface tensions of pure (single solute) and mixed aqueous solutions of typical aerosol composition under all atmospheric conditions (0 to 100% RH and T > 150 K); inclusion of these models into the widely used Extended Aerosol Inorganics model (E-AIM, http://www.aim.env.uea.ac.uk/aim/aim.php); the addition of vapor pressure calculators for organic compounds to the E-AIM website; the ability of include user-defined organic compounds and/or lumped surrogates in gas/aerosol partitioning calculations; the development of new equations to represent the properties of soluble aerosols over the entire concentration range (using methods based upon adsorption isotherms, and derived using statistical mechanics), including systems at close to zero RH. These results are described in publications 1-6 at the end of this report, and on the “News” page of the E-AIM website (http://www.aim.env.uea.ac.uk/aim/info/news.html). During 2012 and 2013 we have collaborated in a combined observation and lab-based study of the water uptake of the organic component of atmospheric aerosols (PI Gannet Hallar, of the Desert Research Institute). The aerosol samples were analyzed using several complementary techniques (GC/MS, FT-ICR MS, and ion chromatography) to produce a very complete organic “speciation” including both polar and non-polar compounds. Hygroscopic growth factors of the samples were measured, and we have just completed comparisons of the data with our process model predictions based upon the inorganic and organic composition of the samples.

54 ENVIRONMENTAL SCIENCES↗

Cross Section Evaluation for Exclusive Channels of K+Λ and K+Σ0 Electroproduction off Protons Using CLAS Detector Data

In this work, a method for evaluating the cross sections of electroproduction of K+Λ0 and K+Σ0 off protons in the region of invariant masses of final hadrons MK + MY <W < 2.65 GeV (MK and MY being the masses of the kaon and hyperon, respectively) and squares of four-momentum transfers of virtual photons, i.e., photon virtualities 0 < Q2 < 5 GeV2, is developed based on experimental data of these exclusive channels’ cross sections measured by the CLAS detector in Hall B at Jefferson Lab. A set of algorithms has been implemented to evaluate the differential cross sections of these channels, along with their statistical and systematic uncertainties. A program was developed for the evaluation of differential cross sections and structure functions using C++ and Python libraries. An interactive website was created for working with the program, enabling the analysis of one-dimensional and two-dimensional dependences of structure functions and differential cross sections. The evaluation of differential cross sections for the K+Λ and K+Σ0 electroproduction channels is necessary for extracting the structure function σLT from the data on the polarization asymmetry of electroproduction reactions of these final states with longitudinally polarized electrons. The obtained results are also important for the development of realistic Monte Carlo event generators in planning future experiments and for evaluating the efficiency of detecting final particles when extracting reaction cross sections from experimental data.

Golda, A. V.↗

Enabling a systems biology knowledgebase with gaggle and firegoose

The overall goal of this project was to extend the existing Gaggle and Firegoose systems to develop an open-source technology that runs over the web and links desktop applications with many databases and software applications. This technology would enable researchers to incorporate workflows for data analysis that can be executed from this interface to other online applications. The four specific aims were to (1) provide one-click mapping of genes, proteins, and complexes across databases and species; (2) enable multiple simultaneous workflows; (3) expand sophisticated data analysis for online resources; and enhance open-source development of the Gaggle-Firegoose infrastructure. Gaggle is an open-source Java software system that integrates existing bioinformatics programs and data sources into a user-friendly, extensible environment to allow interactive exploration, visualization, and analysis of systems biology data. Firegoose is an extension to the Mozilla Firefox web browser that enables data transfer between websites and desktop tools including Gaggle. In the last phase of this funding period, we have made substantial progress on development and application of the Gaggle integration framework. We implemented the workspace to the Network Portal. Users can capture data from Firegoose and save them to the workspace. Users can create workflows to start multiple software components programmatically and pass data between them. Results of analysis can be saved to the cloud so that they can be easily restored on any machine. We also developed the Gaggle Chrome Goose, a plugin for the Google Chrome browser in tandem with an opencpu server in the Amazon EC2 cloud. This allows users to interactively perform data analysis on a single web page using the R packages deployed on the opencpu server. The cloud-based framework facilitates collaboration between researchers from multiple organizations. We have made a number of enhancements to the cmonkey2 application to enable and improve the integration within different environments, and we have created a new tools pipeline for generating EGRIN2 models in a largely automated way.

97 MATHEMATICS AND COMPUTING↗

NBIC Biofeeds: A Digital Tool for Open Source Biosurveillance across Federal Agencies

The National Biosurveillance Integration Center (NBIC) is developing a scalable, flexible open source data collection, analysis, and dissemination tool to support biosurveillance operations by the U.S. Department of Homeland Security (DHS) and its federal interagency partners. The NBIC integrates, analyzes, and distributes key information about health and disease events to help ensure the nation’s responses are well-informed, save lives, and minimize economic impact. NBIC serves as a bridge between Federal, State, Local, Territorial, and Tribal entities to conduct biosurveillance across human, animal, plant, and environmental domains. The integration of information enables early warning and shared situational awareness of biological events to inform critical decisions directing response and recovery efforts. To meet its mission objectives, NBIC utilizes a variety of datasets, including open source information, to provide comprehensive coverage of biological events occurring across the globe. NBIC Biofeeds is a digital tool designed to improve the efficiency of reviewing and analyzing large volumes of open source reporting by biosurveillance analysts on a daily basis; moreover, the system provides a mechanism to disseminate tailored feeds allowing NBIC to better meet the specific information needs of individual, interagency partners. The tool is currently under development by the Department of Energy (DOE), Pacific Northwest National Laboratory (PNNL)and it is in a testing and evaluation phase supported by NBIC biosurveillance subject matter experts. Integration with the Defense Threat Reduction Agency (DTRA), Biosurveillance Ecosystem(BSVE) is also underway. NBIC Biofeeds Version 1 is expected to be fully operational in Fiscal Year 2017. The PNNL is applying agile methodology to streamline the build of NBIC Biofeeds to specifications required for operational use by NBIC and its federal interagency partners. Biosurveillance, analytics, and system engineering subject matter experts provide guidance on the implementation of features in the tool to ensure functionality aligns with operational workflows and production support. PNNL is leveraging software from a previous government effort to repurpose the technology to meet NBIC needs. NBIC Biofeeds incorporates the open source, document-orientated MongoDB database to capture user- and system-generated metadata on hundreds of thousands of records, in part, to establish baselines to aid prospective and retrospective analysis on emerging biological events. NBIC Biofeeds integrates a biosurveillance taxonomy (uniquely developed by NBIC),which includes input from interagency partners to recognize critical characteristics of a biological event. In NBIC Biofeeds Version1, metadata capture of reported events is done manually by NBIC analysts; however, moving forward in Version 2, the tool will be further automated to flag significant reporting on biological events with a human remaining in the loop to confirm the validity of the system-generated tags. To serve as a one-stop tool for open source biosurveillance, NBIC Biofeeds automatically harvests information from thousands of websites, utilizing third party aggregators, paid subscriptions to data feeds, and scraping of high priority sources. Users can develop desired queries for automatic updating, leverage a unique review and curation mechanism, and further analyze data from topical, geographic, and temporal visualization features in the tool. To meet NBIC’s information sharing needs, the tool allows for design of tailored RSS feeds and electronic message-based delivery of analysis on biological events, intended for recipients in the government with unique missions around human, animal, plant, and environmental health. Through current testing and evaluation – underway by biosurveillance subject matter experts – NBIC Biofeeds is demonstrating value in supporting open source biosurveillance by the Center for more rapid recognition and sharing of key event characteristics. Centralizing access and analysis of this data set into a single system is increasing the efficiency of daily, global biosurveillance, while enhancing the value of information identified through use of the querying, curation, and production support features in the tool.

59 BASIC BIOLOGICAL SCIENCES↗

A Global Building Occupant Behavior Database

This paper introduces a database of 34 field-measured building occupant behavior datasets collected from 15 countries and 39 institutions across 10 climatic zones covering various building types in both commercial and residential sectors. This is a comprehensive global database about building occupant behavior. The database includes occupancy patterns (i.e., presence and people count) and occupant behaviors (i.e., interactions with devices, equipment, and technical systems in buildings). Brick schema models were developed to represent sensor and room metadata information. The database is publicly available, and a website was created for the public to access, query, and download specific datasets or the whole database interactively. The database can help to advance the knowledge and understanding of realistic occupancy patterns and human-building interactions with building systems (e.g., light switching, set-point changes on thermostats, fans on/off, etc.) and envelopes (e.g., window opening/closing). With these more realistic inputs of occupants’ schedules and their interactions with buildings and systems, building designers, energy modelers, and consultants can improve the accuracy of building energy simulation and building load forecasting.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

The MCDB System for Management and Analysis of Petabyte-Scale Uncertain Data

Analysts working with very large data sets often use statistical models to “guess” at unknown, inaccurate, or missing information associated with the data. For example, a distant object viewed through an optical lens will have its position slightly shifted by imperfections in the lens. Thus, rather than considering the object’s observed position to be absolutely correct, it makes sense to take into account the lens’s imperfections to obtain a probabilistic guess as to the object’s true position. For another example, it might be important to associate some sort of error distribution with each of the individual sensors in an array of magnetometers. This error distribution may be complex and include spatially-driven covariances, because errors in nearby sensors are likely to be correlated (caused, for example, by the presence of some nearby, fixed metal object). This project is concerned with the design and implementation of a prototype data management system called the Monte Carlo Database System, or MCDB for short. MCDB allows an expert-level analyst or statistician to attach arbitrary stochastic models to very large data sets in order to “guess” the values for unknown or inaccurate data, such as the actual position of the observed object in the lens example above. When the resulting data set is analyzed, the underlying stochastic models are used to generate hundreds or thousands of possible data set instances, and each of those possible instances is analyzed separately by MCDB. Thus, MCDB does not just give a single answer to the analysis, but it actually gives an empirical distribution of query results that embody the underlying uncertainty, and can in turn be analyzed using standard statistical techniques. The stochastic models in MCDB are implemented as user-defined, external C++ libraries called Variable Generation functions (VG functions for short). Because the VG function interface is exceedingly general, it allows MCDB to be used in a very wide variety of application domains, in conjunction with virtually any stochastic model. Ultimately, we ended up calling the system that we developed over the course of the project SimSQL, to denote the fact that it allowed for stochastic simulation of data. The software developed during the lifetime of the project is available for download from the SimSQL project website: http://cmj4.web.rice.edu/SimSQL/SimSQL.html.

42 ENGINEERING↗

Assessment and Improvement of Fission Product Transport Predictions of Particle Fuel in BISON

The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation (NEAMS) program aims to develop predictive capabilities by applying computational methods to the analysis and design of advanced reactor and fuel cycle systems. This program has been providing engineering-scale support for the development of BISON, a high-fidelity and high-resolution fuel performance tool. This study was motivated by the need to incorporate more physics-based models in BISON in order to foster tri-structural isotropic (TRISO) applications. This document details the integration of new modeling capabilities in BISON, including (1) development of pyrolytic carbon (PyC) and silicon carbide (SiC) layer anisotropic thermal and mass transport capabilities, (2) verification of the mass diffusion solution in TRISO modeling, (3) calibration of fission product diffusivity using Advanced Gas Reactor (AGR) experiments, (4) improved fission product release modeling by developing compact diffusion modeling capabilities, and (5) documentation of accelerated failure analysis on the BISON website. Improvements made to the diffusion models and parameters were documented and validated against AGR-1 and -2 experiment data.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

User's Manual for the FE/NETL Onshore CO 2 EOR Cost Model, Version 1

This user's manual describes the conceptual and mathematical basis for the FE/NETL Onshore CO 2 EOR Cost Model (a Fortran program). The model performs a cash flow analysis to estimate the cost of implementing CO 2 EOR using supercritical CO 2 by incorporating oil field performance outputs for a pattern from the FE/NETL CO 2 Prophet Model (available on NETL's website along with its associated user's manuals under the Collection Name: FE/NETL CO 2 Prophet Model) and implementing patterns to develop an oil field for CO 2 EOR. The model calculates capital costs, operation and maintenance costs, and financing costs. The user’s manual also describes how to run the FE/NETL Onshore CO 2 EOR Cost Model, along with the model’s file structure, inputs and outputs. The FE/NETL Onshore CO 2 EOR Cost Model is available on NETL's website under the Collection Name: FE/NETL Onshore CO 2 EOR Cost Model.

54 ENVIRONMENTAL SCIENCES↗

Simulating low-energy neutrino interactions with MARLEY

Monte Carlo event generators are a critical tool for the interpretation of data obtained by neutrino experiments. Several modern event generators are available which are well-suited to the GeV energy scale used in studies of accelerator neutrinos. However, theoretical modeling differences make their immediate application to lower energies difficult. In this paper, I present a new event generator, MARLEY, which is designed to better address the simulation needs of the low-energy (tens of MeV and below) neutrino community. The code is written in C++14 with an optional interface to the popular ROOT data analysis framework. The current release of MARLEY (version 1.2.0) emphasizes simulations of the reaction 40 Ar ( ν e , e − ) 40 K ⁎ but is extensible to other channels with suitable user input. This paper provides detailed documentation of MARLEY's implementation and usage, including guidance on how generated events may be analyzed and how MARLEY may be interfaced with external codes such as Geant4. Further information about MARLEY is available on the official website at http://www.marleygen.org. Program title:MARLEY 1.2.0 CPC Library link to program files:https://doi.org/10.17632/4v7zxnc8j3.1 Developer's respository link:http://github.com/MARLEY-MC/marley Code Ocean capsule:https://codeocean.com/capsule/9868179 Licensing provisions: GNU General Public License 3.0 Programming language: C++14 External routines/libraries used: GNU Scientific Library [1,2] (required), ROOT [3,4] (optional) Nature of problem: Simulation of neutrino-nucleus scattering events at energies of tens-of-MeV and below Solution method: Initial two-to-two scattering kinematics are sampled using the allowed approximation differential cross section and tables of precomputed nuclear matrix elements. Subsequent de-excitations of the remnant nucleus are simulated using a Monte Carlo implementation of the Hauser-Feshbach statistical model and tabulated γ-ray decay schemes for discrete nuclear levels. Additional comments including restrictions and unusual features: Input data are provided with the code that are suitable for producing simulations of the charged-current reaction 40 Ar ( ν e , e − ) 40 K ⁎ , coherent elastic neutrino-nucleus scattering on spin-zero target nuclei, and neutrino-electron elastic scattering on any atomic target. Preparation of new reaction input files (whose format is documented in Appendix B) would enable other reaction channels and nuclear targets to be handled by the existing code framework. Although there is no maximum neutrino energy enforced by the code itself, realistic neutrino-nucleus scattering events may be generated up to roughly 50 MeV. Above this energy, the effects of forbidden nuclear transitions, which are neglected in the current treatment of the cross sections (see section 2.1), become increasingly important.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

High-order algorithmic developments and optimizations for large-scale GPU-accelerated simulations (Milestone CEED-MS36)

The goal of this milestone was to improve the high-order software ecosystem for CEED-enabled ECP applications by making progress on efficient matrix-free kernels targeting forthcoming ECP architectures. These kernels included matrix-free preconditioning and the development of new set of CEED solver bake-off problems. As part of this milestone, we also released the next version of the CEED software stack, CEED-4.0, reported on results from several application collaborations, and documented the efforts of porting to AMD GPUs for Frontier and other modern architectures, such as Fugaku. The specific tasks addressed in this milestone were: (1) Port and run CEED benchmarks/miniapps on Frontier EA systems; (2) Demonstrate performant libCEED integration in MFEM, Nek and applications; (3) Matrix-free preconditioning of high-order operators; (4) Benchmark problems for fast high-order solvers on GPU platforms; and (5) Public release of CEED-4.0. The artifacts delivered include the next version of the CEED software stack, CEED-4.0, the next libCEED release, libCEED-0.8, and a number of developments integrated within applications to improve their GPU and CPU performance and capabilities. See the CEED website, https://ceed.exascaleproject.org and the CEED GitHub organization, https://github.com/ceed for more details.

97 MATHEMATICS AND COMPUTING↗

Final Technical Report on Development of an Economic and Efficient Biodiesel production Process (NC)

The Biofuels Team at The University of North Carolina at Pembroke and North Carolina A&T State University carried out a joint research project aimed at developing an efficient process to produce biodiesel. In this project, the team developed and tested various types of homogeneous and heterogeneous catalysts which could replace the conventionally used soluble potassium hydroxide catalyst which, traditionally, must be separated and disposed of at the end of the process. As a result of this screening, the homogeneous catalyst choline hydroxide was identified as a potential replacement for the traditional catalyst used in this process, potassium hydroxide, due to its decreased corrosiveness and toxicity. A large number of heterogeneous catalysts were produced and tested in order to determine the scaffold, ion type and ion concentration which would produce optimum yield of biodiesel. The catalyst with 12% calcium on Zeolite β was identified as being highly effective and optimal reaction conditions were identified. Furthermore, a packed bed reactor utilizing this type of catalyst was designed, constructed and tested in order to further optimize the process. An economic analysis of the viability of the project showed that the cost of an independent farmer to produce the fuelstock required to produce biodiesel exceeds the cost of petroleum diesel under current conditions and that therefore without incentives, farmers would not be able to benefit economically from producing their own fuel. An educational website on biodiesel production and analysis was produced and a laboratory experiment demonstrating the production of biodiesel was developed and implemented into the Organic Chemistry II laboratory curriculum at UNCP. Five workshops for local farmers and agricultural agents were held in order to inform the broader community about the various fuelstock available, their cultivation and the process and advantages of biodiesel use and production. This project fits both Universities’ goals in the Biofuels Research Initiative, since it uses an alternative fuelstock: namely canola. The outcomes of this project may eventually aid in reducing the state’s consumption of corn and soybean, which are important food crops. The project will also encourage regional farmers to grow alternative crops for biofuel production. The success of this project has contributed towards the development of Robeson County, an economically disadvantaged region. Additionally it should be noted that Robeson County serves a large Native American population. Therefore, training and engaging this minority group in the energy industry was an important accomplishment.

09 BIOMASS FUELS↗

Industrial Scale Demonstration of Smart Manufacturing, Achieving Transformational Energy Productivity Gains

While many U.S. manufacturing operations utilize optimization for individual unit processes, smart manufacturing (SM) systems that integrate manufacturing intelligence in real time across an entire production operation are rare in large companies and virtually nonexistent in smaller organizations. One example of an area where SM systems can be applied is in the management of waste heat. A smart system that not only seeks to recover waste heat, but also to use energy more efficiently, is a more cost-effective approach because energy use, waste energy loss and product output are optimized together. The overall objective of this project was to develop an industry-accepted SM Platform that enables smart systems by accelerating and lowering the cost of development and implementation scales for use in diverse sets of manufacturing industry sectors, manufacturing operations and company sizes. Specifically, the project (1) designed and demonstrated the application of a prototype SM Platform for two diverse commercial test beds, (2) demonstrated at one and estimated for the other test bed the potential reduction in waste heat generation, and (3) worked with leading automation vendors to catalyze low-cost commercialization of the technology developed. The Smart Manufacturing Application and Data Platform (SM Platform) developed during this project is an innovative approach that marries IT virtualization technologies with operational data and modeling system requirements to construct a ready-to-go platform for enabling sensor – data – modeling – actuation systems, driven by real-time plant data and performance metrics. This SM Platform allows manufacturing organizations, regardless of their industry or size, to assemble new operational systems at a much lower cost, optimizing process knowledge and improving energy productivity by integrating with existing process control and automation systems. Also developed during this project is a methodology for developing energy productivity metrics that use real-time process information and provide comparisons for potential, practical, and actual performance, as well as examples and the methodology for provisioning of an Energy Dashboard that displays alternatives to optimize energy use within specific business contexts aimed at helping improve energy productivity and reduce emissions in U.S. manufacturing. The SM Platform designed utilizes current manufacturing, operational and IT industry standards. The platform can be used to expedite sensor – data – model – actuation system development and deployment in a cloud-based environment using a novel end-to-end workflow as a service capability that is already integrated with data connection, ingestion, and contextualization services. In addition, the methodology for development of energy productivity metrics and reusable application templates called Toolkits have been defined so that they can be tailored to a specific business situation. The project’s two test beds, one in a hydrogen production plant and the other in a forging, heat treatment, and machining operation, utilize sensor-driven modeling, measurement, and simulation systems. In these two test beds, the implementation of these as a comprehensive system has made it possible for energy productivity to be managed in real-time throughout the plant and enterprise using an energy dashboard. The development pathway to direct machine actuation was articulated. During the first year, the project team developed the most highly instrumented steam-methane reformer (SMR) in the U.S. using infrared cameras and thermocouples. Real-time data are streamed to high fidelity and reduced-order models for analysis. A high fidelity CFD model, parallelized in the SM Platform cloud environment, was demonstrated for operational use. This is the first real-time operational productivity system of a steam methane reformer using both high fidelity and data-driven models together in a real time situation to balance natural gas flow to the reformer tubes. An infrared camera system was developed and shown to outperform thermocouples in coverage, accuracy, reliability, and cost effectiveness for use in a high temperature, harsh environment. A forging, heat-treating, machining line operation test bed includes new instrumentation for data capture analysis, modeling, and simulation and will be integrated into SM Platform workflows so that business performance can be managed in real-time. Composable metrics were developed using the SM Platform to drive improvements in energy productivity, environmental performance, safety, asset management, costs, and overall operations. A major focus of the SM systems developed was optimization of energy productivity at the enterprise level, which resulted in reductions in waste heat generation for the two project test beds. Reductions in the waste heat generated will result in greater energy savings than will waste heat recovery due to inefficiencies in the heat transfer process. For the SMR test bed an efficiency improvement of 1 – 2% with a corresponding waste heat reduction of 5% were demonstrated. It should be noted that the test bed SMR unit had an efficiency of more than 90% as compared to 70 to 80% efficiencies of most SMR units. So implementation of similar SM systems at typical SMR units could yield more than 15 to 25% waste heat reductions. Similarly the forging, heat-treating, machining line operation test bed is a DOE AMO Platinum Level Superior Energy Performance plant with a much higher than typical overall operating efficiency. For this test bed heat integration using recuperators is estimated to result in fuel savings of 15.9% due to waste heat recovery compared to the base case without recuperators with negligible changes in part exit conditions. This results in an 18.9% energy efficiency improvement. The project team estimates that broad multi-sector adoption of the developed technology could reduce waste heat generation by an amount equivalent to 1.3% of total U.S. energy use. This waste heat reduction is associated with 69 million tons reduction in annual carbon dioxide emissions. Other potential benefits include reducing process times, solid and liquid wastes, environmental impacts, and water use. It is estimated that this investment has an anticipated payback period of less than one year in energy-intensive applications. The SM Platform could also reduce the costs of deploying SM systems by 50% in manufacturing operations. Commercialization of the SM Platform will require significant cross-industry collaboration and technology provider market changes. Steps taken toward commercialization included 1) analyzing savings from deployment of the SM Platform and 2) holding SM Platform workshops, webinars, and conferences with targeted individual industry segments, with a focus on small and medium-sized organizations. An upgraded community website has been established as a portal for accessing and distributing information. Most importantly, the SM platform enabling technology developed during this project and its commercialization will continue, evolve and expand under the Clean Energy Smart Manufacturing Innovation Institute (CESMII).

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

M3SF-24LL010302062-NEA-TDB Management and International Collaborations in Sorption and Thermodynamic Modeling

This progress report (Level 3 Milestone Number M3SF-24LL010302062) summarizes research conducted at Lawrence Livermore National Laboratory (LLNL) within the Crystalline International Collaborations Work Package Number SF-24LL01030206. The activity is focused on our long-term commitment to engaging our partners in international nuclear waste repository research. This includes participation in the Nuclear Energy Agency Thermochemical Database (NEA-TDB) Project and development of methodologies for integrating US and international thermodynamic databases for use in SFWST Generic Disposal System Assessment (GDSA) efforts. A continuing focus for FY24 efforts is to support the US participation in the NEA-TDB effort. The focus of FY24 activities was the development of an agreement for a Phase 7 activity that will start in Q1 of 2025. Mavrik Zavarin is now the US representative on both the Management Board and the Executive group to the NEA-TDB. He is also the POC for the Cements State of the Art Report that is undergoing peer review in FY24. In FY24, we used our position on the NEA-TDB MB and EG to facilitate the integration of NEA-TDB thermochemical data with LLNL’s SUPCRTNE thermodynamic database that supports the SFWST GDSA activities. This effort is coordinated with the Argillite work package SUPCRTNE database development efforts (Wolery, 2024). The goal is to provide a downloadable database that will be hosted on LLNL’s thermodynamics website which incorporates NEA-TDB data into the LLNL database where appropriate. We also began engagement with the EURAD2 program that was initiated in FY24 by our European collaborators at the Karlsruhe Institute of Technology (KIT), Germany. The primary focus of the engagement is with WP20: DITUSC Thermodynamic database evaluation program. A kickoff meeting for this activity is planned for early FY25. Finally, we have been selected to co-host (with Clemson University) the International Conference on Chemistry and Migration Behaviour of Actinides and Fission Products in the Geosphere in 2025 (Migration2025). The meeting will be held September 21-26, 2025, in New Orleans, Louisiana, and will focus on international efforts to understand the risks of radionuclide releases into the environment. This central focus of this conference is on international efforts to develop safe disposal options for nuclear wastes. As such, we are developing a theme focused on US underground nuclear waste repository science.

58 GEOSCIENCES↗

Securing your Site in Development and Beyond

Why wait until production deployment, or even staging and testing deployment to identify security vulnerabilities? Using tools like Burp Suite, you can find security vulnerabilities before they creep up on you. Prevent cross-site scripting attacks, and establish a firmer trust between your website and your client. Verify that Apache/Nginx have the correct SSL Ciphers set. We explore using these tools and more to validate proper Apache/Nginx configurations, and to be compliant with modern configuration standards as part of the development cycle. Your clients can use tools like https://securityheaders.io and https://ssllabs.com to get a graded report on your level of compliance with OWASP Secure Headers Project and SSLLabs recommendations. Likewise, you should always use the same sites to validate your configurations. Burp Suite will find common misconfigurations and will also perform more thorough security testing of your applications. In this session you will see examples of vulnerabilities that were detected early on, as well has how to integrate these practices into your daily workflow.

Akopov, Mikhail S.↗

HPNAIDM: The High-Performance Network Anomaly/Intrusion Detection and Mitigation System

Identifying traffic anomalies and attacks rapidly and accurately is critical for large network operators. With the rapid growth of network bandwidth, such as the next generation DOE UltraScience Network, and fast emergence of new attacks/virus/worms, existing network intrusion detection systems (IDS) are insufficient because they: • Are mostly host-based and not scalable to high-performance networks; • Are mostly signature-based and unable to adaptively recognize flow-level unknown attacks; • Cannot differentiate malicious events from the unintentional anomalies. To address these challenges, we proposed and developed a new paradigm called high-performance network anomaly/intrustion detection and mitigation (HPNAIDM) system. The new paradigm is significantly different from existing IDSes with the following features (research thrusts). • Online traffic recording and analysis on high-speed networks; • Online adaptive flow-level anomaly/intrusion detection and mitigation; • Integrated approach for false positive reduction. Our research prototype and evaluation demonstrate that the HPNAIDM system is highly effective and economically feasible. Beyond satisfying the pre-set goals, we even exceed that significantly (see more details in the next section). Overall, our project harvested 23 publications (2 book chapters, 6 journal papers and 15 peer-reviewed conference/workshop papers). Besides, we built a website for technique dissemination, which hosts two system prototype release to the research community. We also filed a patent application and developed strong international and domestic collaborations which span both academia and industry.

97 MATHEMATICS AND COMPUTING↗

Epi Archive: automated data collection of notifiable disease data

LANL has built a software program that automatically collects global notifiable disease data—particularly data stored in files—and makes it available and shareable within the Biosurveillance Ecosystem(BSVE) as a new data source. This will improve the prediction and early warning of disease events and other applications. Most countries do not report national notifiable disease data in a machine-readable format. Data are often in the form of a file that contains text, tables and graphs summarizing weekly or monthly disease counts. This presents a problem when information is needed for more data intensive approaches to epidemiology, biosurveillance and public health as exemplified by the Biosurveillance Ecosystem(BSVE).While most nations do likely store their data in a machine-readable format, the governments are often hesitant to share data openly for a variety of reasons that include technical, political, economic, and motivational issues. For example, an attempt by LANL to obtain a weekly version of openly available monthly data, reported by the Australian government, resulted in an onerous bureaucratic reply. The obstacles to obtaining data included: paperwork to request data from each of the Australian states and territories, a long delay to obtain data (up to 3 months) and extensive limitations on the data’s use that prohibit collaboration and sharing. This type of experience when attempting to contact public health departments or ministries of health for data is not uncommon. A survey conducted by LANL of notifiable disease data reporting in 52 countries identified only 10 as being machine-readable and 42 being reported in pdf files on a regular basis. Within the 42 nations that report in pdf files, 32 report in a structured, tabular format and10 in a non-structured way. As a result, LANL has developed a tool-Epi Archive (formerly known as EPIC)-to automatically and continuously collect global notifiable disease data and make it readily accessible. We conducted a survey of the national notifiable disease reporting systems notating how the data is reported in two important dimensions: date standards and case definitions. The development of software to regularly ingests notifiable disease data frand makes this data available involved four main steps scraping, extracting, parsing and persisting. For scraping: we would examine website designs and determine reporting mechanisms for each country/website as well as what varies across the reporting mechanisms. We then designed and wrote code to automate the downloading of report pdf files, for each country. We stored report pdfs along with appropriate metadata for extracting and parsing. For extracting: we developed software that can extract notifiable disease data presented in tabular form from a pdf file. We combined the methodology of figure placement detection with the in-house developed table extraction and annotation heuristics. For parsing: we determined what to extract from each pdf dataset from the survey conducted. We then parsed the extracted data into uniform data structures correctly accommodating the dimensions surveyed and the various human languages. This task involved ingesting notifiable disease data in many disparate formats extracted from pdf files and coalescing the data into a standardized format. For persisting: We then store the data in the Epi Archive PostgreSQL database and make it available through the BSVE. The EpiArchive tool currently contains subnational notifiable disease data from 10 nations. When a user accesses the EpiArchive site, they are prompted with four fields: country, region, disease, and date duration. These fields allow the user to specify the location(down to the state level), the disease of interest, and the duration of interest. Upon form submission, a time series is generated from the users’ specifications. The generated time series can then be downloaded into a csv file if a user is interested in performing personal analysis. Additionally, the data from EpiArchive can be reached through an API. LANL as part of a currently funded DTRA effort so that it will automatically and continuously collect global notifiable disease data—particularly data stored in pdf files—and make it available and shareable within the Biosurveillance Ecosystem (BSVE) as a new data source. This will provide data to analytics and users that will improve the prediction and early warning of disease events and other applications.

59 BASIC BIOLOGICAL SCIENCES↗

U.S. Department of Energy Pacific Region Clean Energy Application Center (PCEAC)

The U.S. Department of Energy Pacific Region Clean Energy Application Center (PCEAC) was formed in 2009 by the U.S. Department of Energy (DOE) and the California Energy Commission to provide education, outreach, and technical support to promote clean energy -- combined heat and power (CHP), district energy, and waste energy recovery (WHP) -- development in the Pacific Region. The region includes California, Nevada, Hawaii, and the Pacific territories. The PCEAC was operated as one of nine regional clean energy application centers, originally established in 2003/2004 as Regional Application Centers for combined heat and power (CHP). Under the Energy Independence and Security Act of 2007, these centers received an expanded charter to also promote district energy and waste energy recovery, where economically and environmentally advantageous. The centers are working in a coordinated fashion to provide objective information on clean energy system technical and economic performance, direct technical assistance for clean energy projects and additional outreach activities to end users, policy, utility, and industry stakeholders. A key goal of the CEACs is to assist the U.S. in achieving the DOE goal to ramp up the implementation of CHP to account for 20% of U.S. generating capacity by 2030, which is estimated at a requirement for an additional 241 GW of installed clean technologies. Additional goals include meeting the Obama Administration goal of 40 GW of new CHP by 2020, key statewide goals such as renewable portfolio standards (RPS) in each state, California’s greenhouse gas emission reduction goals under AB32, and Governor Brown’s “Clean Energy Jobs Plan” goal of 6.5 GW of additional CHP over the next twenty years. The primary partners in the PCEAC are the Department of Civil and Environmental Engineering and the Energy and Resources Group (ERG) at UC Berkeley, the Advanced Power and Energy Program (APEP) at UC Irvine, and the Industrial Assessment Centers (IAC) at San Diego State University and San Francisco State University. The center also worked with a wide range of affiliated groups and industry, government, NGO, and academic stakeholders to conduct a series of CHP education and outreach, project technical support, and related activities for the Pacific region. Key PCEAC tasks have included: - Preparing, organizing and conducting educational seminars on various aspects of CHP - Conducting state baseline assessments for CHP - Working with state energy offices to prepare state CHP action plans - Providing technical support services including CHP/district energy project feasibility screenings - Working with state agencies on CHP policy development - Developing additional CHP educational materials The primary specific services that PCEAC has offered include: - A CHP “information clearinghouse “ website: http://www.pacificcleanenergy.org - Site evaluations and potential projects screenings - Assessment of CHP status, potential, and key issues for each state - Information and training workshops - Policy and regulatory guidance documents and other interactions These services were generally offered at no cost to client groups based on the DOE funding and additional activities supported by the California Energy Commission, except for the in-kind staff resources needed to provide input data and support to PCEAC assessments at host sites. Through these efforts, the PCEAC reached thousands of end-users and directly worked with several dozen organizations and potential CHP “host sites” from 2009-2013. The major activities and outcomes of PCEAC project work are described.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗