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Commercial Building Energy Asset Rating Program -- Market Research

Under contract to Pacific Northwest National Laboratory, HaydenTanner, LLC conducted an in-depth analysis of the potential market value of a commercial building energy asset rating program for the U.S. Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy. The market research objectives were to: (1) Evaluate market interest and need for a program and tool to offer asset rating and rapidly identify potential energy efficiency measures for the commercial building sector. (2) Identify key input variables and asset rating outputs that would facilitate increased investment in energy efficiency. (3) Assess best practices and lessons learned from existing national and international energy rating programs. (4) Identify core messaging to motivate owners, investors, financiers, and others in the real estate sector to adopt a voluntary asset rating program and, as a consequence, deploy high-performance strategies and technologies across new and existing buildings. (5) Identify leverage factors and incentives that facilitate increased investment in these buildings. To meet these objectives, work consisted of a review of the relevant literature, examination of existing and emergent asset and operational rating systems, interviews with industry stakeholders, and an evaluation of the value implication of an asset label on asset valuation. This report documents the analysis methodology and findings, conclusion, and recommendations. Its intent is to support and inform the DOE Office of Energy Efficiency and Renewable Energy on the market need and potential value impacts of an asset labeling and diagnostic tool to encourage high-performance new buildings and building efficiency retrofit projects.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Navigating the Compliance Reporting Tool: EPAct State and Alternative Provider Fleet Program User Guide

State government and alternative fuel provider fleets covered under the State and Alternative Fuel Provider Fleet Program (Program) established pursuant to the Energy Policy Act of 1992 (EPAct) may use the Compliance Reporting Tool to track and report on several compliance activities. These activities include, but are not limited to, completing Standard Compliance annual reports, Alternative Compliance notices of intent, and exemption requests. Covered fleets can access the Compliance Tool through the Program's website at https://epact.energy.gov/users/sign_in. Covered fleet point of contacts should bookmark the Compliance Reporting Tool for future access. This user guide addresses general tool navigation, including: 1) Logging in to the Tool, 2) Managing Your Point of Contact and Account Information, 3) Managing Fleet Contact Information, 4) Adding New Fleets to Your Account, 5) Reporting for Entities With Multiple Fleets, and 6) Viewing Credit Trades.

ADVANCED PROPULSION SYSTEMS,ENERGY PLANNING, POLIC↗

LANL: Weapons Infrastructure Briefing to Naval Reactors, July 18, 2017

Presentation slides address: The Laboratory infrastructure supports hundreds of high hazard, complex operations daily; LANL’s unique science and engineering infrastructure is critical to delivering on our mission; LANL FY17 Budget & Workforce; Direct-Funded Infrastructure Accounts; LANL Org Chart; Weapons Infrastructure Program Office; The Laboratory’s infrastructure relies on both Direct and Indirect funding; NA-50’s Operating, Maintenance & Recapitalization funding is critical to the execution of the mission; Los Alamos is currently executing several concurrent Line Item projects; Maintenance @ LANL; NA-50 is helping us to address D&D needs; We are executing a CHAMP Pilot Project at LANL; G2 = Main Tool for Program Management; MDI: Future Investments are centered on facilities with a high Mission Dependency Index; Los Alamos hosted first “Deep Dive” in November 2016; Safety, Infrastructure & Operations is one of the most important programs at LANL, and is foundational for our mission success.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Microbial spies and bloggers: programming cells to convert environmental information into discernible signals

Microbes regulate their dynamic behaviors using the chemical and physical characteristics of their environment. The ability of microbes to continuously convert this physicochemical information into biochemical information and to use organic matter in the environment as a power source makes these organisms attractive as chassis for building sensors. However, most biosensors have severe limitations when considering applications in hard-to-image settings like soils, sediments, and wastewater. Emerging technologies at the interface of biomolecular design, microbiome engineering, and synthetic biology offer new tools to program cells and communities as biosensors for these settings. Here, in this review, we describe innovations in biosensor outputs that are enabling new applications in complex environments, including reporters that are read out using electrochemical, gas chromatography, hyperspectral imaging, and next-generation sequencing methods. We also discuss computational advances that are accelerating the diversification of sensing components by mining metagenomics data for new transcriptional regulators and by designing allosteric protein switches that directly regulate reporter outputs using analytes. We highlight emerging opportunities for programming undomesticated microbes in communities to function as distributed sensors in the environment. Finally, we discuss the need for responsible biosensor development and to modernize regulatory frameworks to support evidence-based assessment of environmental biosensors.

analyte↗

Characterization of Morphology using MAMA Software

The MAMA (Morphological Analysis for Material Attribution) software was developed at the Los Alamos National Laboratory funded through the National Technical Nuclear Forensics Center in the Department of Homeland Security. The software allows images to be analysed and quantified. The largest project I worked on was to quantify images of plutonium oxides and ammonium diuranates prepared by the group with the software and provide analyses on the particles of each sample. Images were quantified through MAMA, with a color analysis, a lexicon description and powder x-ray diffraction. Through this we were able to visually see a difference between some of the syntheses. An additional project was to revise the manual for MAMA to help streamline training and provide useful tips to users to more quickly become acclimated to using the software. The third project investigated expanding the scope of MAMA and finding a statistically relevant baseline for the particulates through the analysis of maps in the software and using known measurements to compare the error associated with the software. During this internship, I worked on several different projects dealing with the MAMA software. The revision of the usermanual for the MAMA software was the first project I was able to work and collaborate on. I first learned how to use the software by getting instruction from a skilled user at the laboratory, Dan Schwartz, and by using the existing user manual and examples. After becoming accustomed to the program, I started to go over the manual to correct and change items that were not as useful or descriptive as they could have been. I also added in tips that I learned as I explored the software. The updated manual was also worked on by several others who have been developing the program. The goal of these revisions was to ensure the most concise and simple directions to the software were available to future users. By incorporating tricks and shortcuts that I discovered and picked up from watching other users into the user guide, I believe that anyone who utilizes the software will be able to quickly understand the best way to analyze their image and use the tools the program offers to achieve useful results.

97 MATHEMATICS AND COMPUTING↗

ROSE

Developed at Lawrence Livermore National Laboratory (LLNL), ROSE is an open source compiler infrastructure to build source-to-source program transformation and analysis tools for large-scale C (C89 to C23), C++ (C++98 to C++23), UPC, Fortran (Fortran4, 66, 77, 95, 2003), OpenMP, Java, Python, and Binary applications. ROSE users range from experienced compiler researchers to library and tool developers who may have minimal compiler experience. ROSE is particularly well suited for building custom tools for static analysis, program optimization, arbitrary program transformation, domain-specific optimizations, complex loop optimizations, performance analysis, and cyber-security. ROSE is: A library (and set of associated tools) to quickly and easily apply compiler techniques to one's code in order to improve application performance and developer productivity. A research and development compiler infrastructure for for writing custom source-to-source translators to perform source code transformations, analysis, and optimizations. Is

Pinnow, NathanT [Lawrence Livermore National Labor↗

Software Quality Metrics for Geant4: An Initial Assessment - Paper 122

In the context of critical applications, such as shielding and radiation protection, ensuring the quality of simulation software they depend on is of utmost importance. The assessment of simulation software quality is crucial both to determine its adoption in experimental applications and to guarantee reproducibility of outcome over time. Geant4 is a simulation system used in a wide range of experimental applications, some of which, such as radiation protection and biomedical studies, may involve critical use cases and would especially profit from an objective assessment of the software quality. In this study, we present the first results from an ongoing analysis of Geant4 code based on established software metrics from the perspective of software engineering. The analysis evaluates the current status of the code to quantify its characteristics with respect to documented quality standards; further appraisals concern evolutions over a series of release distributions. The quantitative assessment of the software is initially focused on a subset of Geant4 packages, which play a key role in scientific applications and are representative of different software development processes. We describe the chosen software metrics that map the entities of a software system to numeric values through mathematical definitions, quantifying software attributes ranging from functionality to maintainability. To measure such metrics, we exploited a set of software metrics tools, i.e. programs that implement a set of software metrics definitions. They allow software engineers to assess a software system by extracting the required attributes from the software and providing the corresponding metric values. To correlate software metrics values in a well-defined way, we used software quality standard models, such as the ISO/IEC 9126 standard, which aggregate numerical values to aid quality analysis and assessment. With this work we aim to create a baseline for evaluating correlations between software quality embedded in the Geant4 development process and simulation observables produced by Geant4-based applications. Furthermore, we intend to highlight what metrics are most effective at evaluating radiation transport software quality. We are confident that the result will provide constructive guidance both to improve key software tools, such as Geant4, and to estimate their contribution in risk analysis concerning sensitive applications. The remainder of this paper is structured as follows. We first discuss the approach adopted to fulfil our assessment. Then, we present the setup of our experiments and the way we collected data. We provide an initial interpretation of a subset of data resulting from measurements made on the selected Geant4 packages. As the analysis is still ongoing at the time of submitting this abstract, some results will be documented in the final paper and in the conference presentation. With this work we aim to create a proper Geant4 data set for evaluating its software characteristics and identifying both strengths and weaknesses. In this initial study, we considered the geometry and processes packages, which play a major role in most simulation applications. The data analysis is in progress at the time of writing; its complexity is related to the differences among software metrics tools, to the large amount of data to be evaluated and to the pioneering character of this project. We are confident that the results will provide valuable indications for the Geant4 user community and constructive guidance to improve key Geant4 packages. Other Monte Carlo codes could profit from the methodology developed in this pilot project for similar assessments of their software quality. At the end of this study, we intend to create a baseline for evaluating correlations between software quality embedded in the Geant4 development process and simulation observables produced by Geant4-based applications. (authors)

61 RADIATION PROTECTION AND DOSIMETRY↗

The INFODEM Information Centre at CEA Marcoule: A Unique Information Tool in Europe About Nuclear Decommissioning - 16217

In September 2014, the French Alternative Energies and Atomic Energy Commission (CEA) inaugurated a unique information center focused on decommissioning of its nuclear facilities. This facility, named INFODEM information center, is inside the main building of the G1 nuclear reactor at Marcoule, a nuclear site in the south of France with world-recognized expertise in decommissioning. Constructed in the 1950's, the G1 reactor was the first industrial-scale reactor for plutonium production in France; it was also used to produce electricity. Operations ceased in 1968, and it was progressively dismantled (through removal of fuel and main components) and placed in monitoring status. In the 1980s, mockups of fuel cycle process equipment were built under a temporary mission to support development activities for the La Hague reprocessing plant. When that ended, further dismantling occurred, and during 1996 through 2010, the site established itself as a reference example for worldwide nuclear dismantling activities. In 2012, the project to establish an information center at the reactor began, targeting three main audiences: the public, agency personnel and politicians, and technical professionals. Considerable thought went into the facility design, to address the interests and information needs of these three audiences. The INFODEM concept extended over 800 square meters (about 960 square yards), to host an informative tour addressing several major themes: CEA's D and D strategy, programs, skills, tools and methodologies and 'everyday life' on decommissioning projects. Illustrating its unique value and considerable success, INFODEM received the Public Information Prize from the French Nuclear Energy Society (SFEN) in June 2015. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Towards the Development of Molten Salt Reactor Multiphysics Modeling Capabilities: Depletion, Thermochemistry, Reactor Dynamics, and Species Tracking

This report documents the simulation and modeling work performed under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, utilizing the tools and codes developed under the program. The focus in this Fiscal Year (FY) is on the depletion, thermochemistry, reactor dynamics, and species transport in MSRs. The fission products travelling in the entire primary loop is unique in MSRs. There are many physical/chemical mechanisms that can significantly affect the fission products concentration in the fuel salt, e.g., diffusion into gas bubbles, diffusion in the core moderators, deposition on the surface of structures/pipes, etc. The fission product concentration in the fuel salt can potentially affect the neutronics, system dynamics, chemical potentials, etc., so accurately predicting the fission products distribution in the primary loop is important. Under the main objective, different activities are pursued to assess the NEAMS tools applicability for a variety of areas on species transport, including the depletion analyses using Griffin (fission product source), the redox potential assessment at different depletion points, the assessment of xenon transport effect on the neutronics and reactor dynamics, a survey of correlations for calculating the mass transfer coefficient of different fission products, etc.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Clock Synchronization in High-end Computing Environments: A Strategy for Minimizing Clock Variance at Runtime

We present a new software-based clock synchronization scheme that provides high precision time agreement among distributed memory nodes. The technique is designed to minimize variance from a reference chimer during runtime and with minimal time-request latency. Our scheme permits initial unbounded variations in time and corrects both slow and fast chimers (clock skew). An implementation developed within the context of the MPI message passing interface is described, and time coordination measurements are presented. Among our results, the mean time variance for a set of nodes improved from 20.0 milliseconds under standard Network Time Protocol (NTP) down to 2.29 secs under our scheme.

clock synchronization↗

Optimizing I/O Forwarding Techniques for Extreme-Scale Event Tracing

Programming development tools are a vital com- ponent for understanding the behavior of parallel applica- tions. Event tracing is a principal ingredient to these tools, but new and serious challenges place event tracing at risk on extreme-scale machines. As the quantity of captured events increases with concurrency, the additional data can over- load the parallel file system and perturb the application be- ing observed. In this work we present a solution for event tracing on extreme-scale machines. We enhance an I/O for- warding software layer to aggregate and reorganize log data prior to writing to the storage system, significantly reduc- ing the burden on the underlying file system. Furthermore, we introduce a sophisticated write buffering capability to limit the impact. To validate the approach, we employ the Vampir tracing toolset using these new capabilities. Our re- sults demonstrate that the approach increases the maximum traced application size by a factor of 5x to more than 200,000 processes.

atomic append↗

Towards performance portability in the Spark astrophysical magnetohydrodynamics solver in the Flash-X simulation framework

Simulations of core-collapse supernovae, and other astrophysical phenomena, are quintessential extreme-scale computing challenges. For core-collapse supernova simulations to be carried out by the ExaStar project under the Exascale Computing Project umbrella, a robust, efficient, and state-of-the-art magnetohydrodynamics solver is a critical requirement. In Flash-X, the primary software instrument for ExaStar, a new magnetohydrodynamics solver has been designed and implemented from the ground up to achieve accuracy and efficiency for simulations of complex astrophysical flows. This new solver, dubbed Spark, uses high-order spatial reconstruction, Runge-Kutta time integration, and an efficient cell-centered approach to satisfying the divergence-free condition for the magnetic fields. Spark was written to be optimized for data locality in cache hierarchy of CPUs. Since data locality optimizations for cache hierarchy are not directly compatible with those of accelerators, we have taken the approach of using program synthesis to avoid massive amounts of code replication that would be necessary if we were to maintain two different versions of the solver. Our program synthesis relies on a simple key-dictionary approach, implemented in python, that enables us to assemble the version of the solver suitable for the target hardware from code fragments identified by specific keys. In this work, we describe the data locality optimizations of the solver for CPUs and accelerators and the program synthesis tools that enable this portability. We also detail the parallel performance of Spark for both CPUs and accelerators.

97 MATHEMATICS AND COMPUTING↗

Characterizing DNA Corona Rigidity in DNA-Directed Gold Nanoparticle Crystalline Structures

DNA-linked gold nanoparticle systems have become an adaptable self-assembly tool for programming various crystalline orders. The programmability lies in the DNA corona, a highly dense outer shell of DNA linkers that binds the nanoparticles together. Various self-assembled structures can be formed by changing the properties of the DNA corona, particularly the size ratio. However, uncertainty still remains as to the actual behavior and structural rigidity of the DNA itself, impeding advances in structural diversification. Specifically, the DNA could adopt an A-form structure after crystallization, or a more flexible DNA corona could be generated if B-form DNA persists but becomes physically bent and adsorbed to the nanoparticle surface in crystal formations. To understand the rigidity of the DNA corona, we devised a method to stretch the DNA between two nanoparticles by simultaneously using short and long linkers. This linker combination flexibly acts as a single linker, rather than two separate linkers that create two ranges of interactions. By measuring the edge-to-edge distance between the two nanoparticles using both linkers in small-angle X-ray scattering (SAXS) experiments, we recorded the first per-base contribution that is consistent with the B-form DNA rise of 3.4 Å. Here, the elucidation of DNA behavior within nanoparticle crystals is essential for understanding the programmability of DNA-linked nanoparticle systems.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Summary of long-baseline systematics session at CETUP*2014

A session studying systematics in long-baseline neutrino oscillation physics was held July 14-18, 2014 as part of CETUP* 2014. Systematic effects from flux normalization and modeling, modeling of cross sections and nuclear interactions, and far detector effects were addressed. Experts presented the capabilities of existing and planned tools. A program of study to determine estimates of and requirements for the size of these effects was designed. This document summarizes the results of the CETUP* systematics workshop and the current status of systematic uncertainty studies in long-baseline neutrino oscillation measurements.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

A continuous integration and web framework in support of the ATLAS publication process

The ATLAS collaboration defines methods, establishes procedures, and organises advisory groups to manage the publication processes of scientific papers, conference papers, and public notes. All stages are managed through web systems, computing programs, and tools that are designed and developed by the collaboration. A framework called FENCE is integrated into the CERN GitLab software repository, to automatically configure workspaces where each analysis can be documented by the analysis team and managed by the relevant coordinators. Continuous integration is used to guide the writers in applying consistent and correct formatting when preparing papers to be submitted to scientific journals. Additional software assures the correctness of other aspects of each paper, such as the lists of collaboration authors, funding agencies, and foundations. The framework and the workflow therein provide automatic and easy support to the researchers and facilitates each phase of the publication process, allowing authors to focus on the article contents. The framework and its integration with the most up to date and efficient tools has consequently provided a more professional and efficient automatized work environment to the whole collaboration.

47 OTHER INSTRUMENTATION↗

Harmonic Modeling, Data Generation and Analysis of Power Electronics-Interfaced Residential Loads

The share of electronics-based residential load is expected to rise as devices such as variable frequency drives (VFDs), electric vehicle chargers, and inverter-based distributed energy resources (DERs), e.g., photovoltaic (PV) systems become more common. These loads may introduce significant harmonics into power networks that need to be closely studied in order to perform accurate load modeling and forecasting. However, it can be difficult to obtain harmonic-rich voltage and current data - necessary for identifying accurate load models - for residential electrical loads. Recognizing this need, we identify and model a set of electronics-based end-use loads and DERs in an electromagnetic transients program (EMTP) tool for a residence with a single- phase split-phase supply. Further, a procedure is developed to model harmonic interactions between end-use loads connected to the same non-ideal supply voltage in a residential setting. Finally, a harmonic-rich dataset produced via the proposed procedure is utilized to identify frequency coupling matrix (FCM) based load model. Numerical results demonstrate the accuracy of the model, and explore model identifiability with limited data points.

harmonics, power quality, load modeling↗

Keep CALM and CRDT On

Despite decades of research and practical experience, developers have few tools for programming reliable distributed applications without resorting to expensive coordination techniques. Conflict-free replicated datatypes (CRDTs) are a promising line of work that enable coordination-free replication and offer certain eventual consistency guarantees in a relatively simple object-oriented API. Yet CRDT guarantees extend only to data updates; observations of CRDT state are unconstrained and unsafe. We propose an agenda that embraces the simplicity of CRDTs, but provides richer, more uniform guarantees. We extend CRDTs with a query model that reasons about which queries are safe without coordination by applying monotonicity results from the CALM Theorem, and lay out a larger agenda for developing CRDT data stores that let developers safely and efficiently interact with replicated application state.

Computer Science↗