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Just-in-Time Compilation and Link-Time Optimization for OpenMP Target Offloading

Following the mass adoption of external accelerators for high performance computing, the overall performance of many applications has become increasingly dependent on relatively small accelerated kernels. As static analysis is fundamentally limited by dynamic values and external definitions, standard ahead-of-time compilation is not always sufficient to achieve the best performance. Furthermore, many users looking to port an existing application to run on an external accelerator will not want to fundamentally restructure their programs. These and other problems can be addressed through both link-time optimization (LTO) and just-in-time (JIT) compilation, but until now had sparse and inconsistent support from the compiler. In this work, we present a new compilation method that enables device-side LTO as well as a transparent JIT compilation tool-chain for OpenMP target offloading. Our contributions include an entirely new device linking and embedding scheme to enable LTO as well as a novel JIT engine to efficiently optimize OpenMP offloading regions at run-time. We also introduce a persistent caching system to improve end-to-end runtime using the JIT engine and minimize kernel launching overheads. We measure the performance of our LTO and JIT implementation via several real-world scientific applications. With our optimizations we observe significant improvements through LTO on large applications as well as significant end-to-end execution time improvement using JIT.

Tian, Shilei↗

Direct Drive Wave Energy Buoy

This Project aims to satisfy objectives of the DOE’s Water Power Program by completing a system detailed design (SDD) and other important activities in the first phase of a utility-scale grid-connected ocean wave energy demonstration. In early 2012, Columbia Power (CPwr) had determined that further cost and performance optimization was necessary in order to commercialize its StingRAY wave energy converter (WEC). CPwr’s progress toward commercialization, and the requisite technology development path, were focused on transitioning toward a commercial-scale demonstration. This path required significant investment to be successful, and the justification for this investment required improved annual energy production (AEP) and lower capital costs. Engineering solutions were developed to address these technical and cost challenges, incorporated into a proposal to the US Department of Energy (DOE), and then adapted to form the technical content and statement of project objectives of the resulting Project (DE-EE0005930). Through Project cost-sharing and technical collaboration between DOE and CPwr, and technical collaboration with Oregon State University (OSU), National Renewable Energy Lab (NREL) and other Project partners, we have demonstrated experimentally that these conceptual improvements have merit and made significant progress towards a certified WEC system design at a selected and contracted deployment site at the Wave Energy Test Site (WETS) at the Marine Corps Base in Oahu, HI (MCBH).

16 TIDAL AND WAVE POWER↗

National Energy Education Development Project (NEED Project) (CRADA Final Report)

The U.S. Department of Energy Building Technologies Office (BTO) funds student competitions that introduce students to careers in the building sciences and increase public awareness around high-performance buildings to support the goal of developing, demonstrating, and accelerating the adoption of cost-effective technologies, techniques, tools, and services that enable high-performing, energy-efficient and demand-flexible residential and commercial buildings in both the new and existing buildings markets. The U.S. Department of Energy Solar Decathlon® (DOE/SD) is a flagship, high-visibility international competition started in 2002 that advances the goals of BTO by introducing students to building science careers; educating students and the public about the latest technologies and materials in high-performance buildings; encouraging student-led projects and research centered around building science; and demonstrating to the public the comfort and savings of homes that combine energy-efficient construction, home systems, appliances and innovative design with onsite renewable energy production. SD is a collegiate competition, comprising 10 contests, that challenges student teams to design and build highly efficient and innovative buildings powered by renewable energy. The winners will be those teams that best blend architectural and engineering excellence with innovation, market potential, building efficiency, and smart energy production. Solar Decathlon is comprised of two Challenges – Design Challenge (annual) and Build Challenge (biennial). The National Renewable Energy Laboratory (NREL) provides competition management for Solar Decathlon. NREL and Participant establish this CRADA to enable the success of the overall Solar Decathlon program by managing sponsorship funds and creating a K12 education program. Participant is to act as an Education Partner to Solar Decathlon, which includes: 1) accepting and dispersing sponsorship funds for DOE/SD; and 2) providing K12 education program to support Solar Decathlon Competition Events in April each year.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

SPC-70486 Rev 0 Stirling Engine Prototype Performance Specification

Idaho National Laboratory (INL) is developing a small microreactor to produce electrical power utilizing a small nuclear core and Stirling engines under the Microreactor Application Research Validation and Evaluation (MARVEL) program. The purpose of this performance specification is to define requirements to build and test the Stirling Engine prototype, including interfacing with Kinnetech in the development/test of the engines. This specification includes prototyping components only and are not for use in the reactor. Prototype testing is a preliminary test to be conducted with conceptual equipment from which a final design will be developed. The results of the testing defined herein will not be used as a qualification test. The Stirling Engines have an engine controller module (QEC). Currently, the QEC doesn’t have a means to stop the engine. An analog controlled engine braking system must be developed and tested with the engine prototype. Any conflict between this specification and any supplementary specifications in the procurement documents requires written clarification from the Contractor prior to proceeding with any work. Any deviation from the procurement documents requires approval by the Contractor with the change request process.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗

Is There a Future for Internal Combustion Engines?

John Farrell, PhD, laboratory program manager for vehicle technologies at the National Renewable Energy Laboratory (NREL), discusses promising new combustion and fuel technologies. According to Farrell, the internal combustion engine is not dead and is not likely to die in the near future. However, research continues to find ways to improve its efficiency and deliver a better value for consumers. Farrell oversees NREL's cross-cutting research in the sustainable transportation arena.

33 ADVANCED PROPULSION SYSTEMS↗

Recent Progress on the Stochastic Objective Decision Aide (SODA) Application

Idaho State University, in collaboration with Idaho National Laboratory, is engaged in development of a simple to use software application that utilizes stochastic techniques for the calculation of radiation doses associated with hypothetical radioactive material releases. This work is being performed through a grant from the U.S. Department of Energy (DOE) Nuclear Safety Research and Development (NSR and D) Program. Initial progress on the application was reported previously. Recent additions to the application are reported here. The Stochastic Objective Decision Aide (SODA) provides an easy to use software application to help decision makers support their judgment about the need or lack of need for safety structures, systems, and components. SODA is not intended to replace traditional design basis accident dose calculation methodology, nor is it intended to replace existing software used to perform formal dose consequence calculations. Rather, SODA is intended to supplement information obtained from existing codes to give a decision maker more information about an accident scenario. SODA also provides a simple method to perform parametric or sensitivity studies on individual input parameters. Non-reactor nuclear facilities operated under the approval authority of the US DOE use unmitigated hazard evaluations to determine if potential radiological doses associated with design basis events challenge dose evaluation guidelines. Unmitigated events that sufficiently challenge dose evaluation guidelines merit the selection of safety structures, systems, or components (SSCs) to prevent or mitigate the hazard. Dose consequence calculations traditionally involve use of the 'five-factor' formula: ST = MAR.DR.ARF.RF.LPF where ST is the source term (Bq), MAR is the total available material-at-risk (Bq), DR is the damage ratio (no units), ARF is the airborne release fraction (no units), RF is the respirable fraction (no units), and LPF is the leak path factor (no units). Potential radiation doses are then calculated using: CED = χ/Q.BR.ST.DCF (2) where CED is the committed effective dose (Sv), χ/Q is the plume dispersion (s/m{sup 3}), BR is the breathing rate (m{sup 3}/s), ST is the source term (Bq), and DCF is the dose conversion factor (Sv/Bq). Conservative single value input parameters are typically used to represent ARF, RF, LPF and BR. The traditional methodology, while conservative, can lead to skewed conclusions in the balance between cost and risk reduction resulting in over engineered systems with greater design, construction and operating costs. Rather than using a bounding single point value for each parameter in the dose consequence calculation, SODA uses distributions for some or all of the parameters. Each input parameter distribution is stochastically sampled and the resulting dose consequence calculation is repeated many times to develop a dose consequence distribution. The resulting distribution provides more information for the decision maker to rely upon when determining the need for safety SSCs. The SODA application was developed using MATLAB and it incorporates the use of Monte Carlo techniques as well as a graphical user interface (GUI). The application includes user selection of the governing distribution for parameters such as the MAR, DR, ARF, RF, LPF,χ/Q, BR, and DCF. While MATLAB was used for the development work, the application is distributed as a self-contained executable program. Features of the application include pull down menus with available distributions for the various parameters. The user has the option to plot the input parameter distribution that results from the random sampling process. The resulting dose consequence distribution is automatically analyzed to determine its similarity to well know distributions. This was done using the Bayesian Information Criterion method. If the resulting distribution is sufficiently similar to a well-known distribution, the application provides information about the distributions such as the mean value and other parameters. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

A bioarchitectonic approach to the modular engineering of metabolism

Dissociating the complexity of metabolic processes into modules is a shift in focus from the single gene/gene product to functional and evolutionary units spanning the scale of biological organization. When viewing the levels of biological organization through this conceptual lens, modules are found across the continuum: domains within proteins, co-regulated groups of functionally associated genes, operons, metabolic pathways and (sub)cellular compartments. Combining modules as components or subsystems of a larger system typically leads to increased complexity and the emergence of new functions. By virtue of their potential for 'plug and play' into new contexts, modules can be viewed as units of both evolution and engineering. Through consideration of lessons learned from recent efforts to install new metabolic modules into cells and the emerging understanding of the structure, function and assembly of protein-based organelles, bacterial microcompartments, a structural bioengineering approach is described: one that builds from an architectural vocabulary of protein domains. Further, this bioarchitectonic approach to engineering cellular metabolism can be applied to microbial cell factories, used in the programming of members of synthetic microbial communities or used to attain additional levels of metabolic organization in eukaryotic cells for increasing primary productivity and as the foundation of a green economy.This article is part of the themed issue 'Enhancing photosynthesis in crop plants: targets for improvement'.

59 BASIC BIOLOGICAL SCIENCES↗

Reimagining Codesign for Advanced Scientific Computing: Report for the ASCR Workshop on Reimagining Codesign

In March 2021, the U.S. Department of Energy’s Advanced Scientific Computing Research program convened the Workshop on Reimagining Codesign. The workshop, also known as ReCoDe, was organized around discussions on eight topic areas: (1) codesign for traditional high-performance computing workloads; (2) codesign of memory/storage systems; (3) codesign of machine learning, neuromorphic, quantum, and other non-von Neumann accelerators; (4) codesign for edge computing and processing at experimental instruments; (5) codesign for security and privacy; (6) hardware design tools and open-source hardware for high-productivity codesign; (7) tools, software stack, and programming languages for high-productivity codesign; and (8) quantitative tools and data collection for modeling and simulation for codesign. The panels identified four Priority Research Directions from these deliberations: (1) breakthrough computing capabilities with targeted heterogeneity and rapid design; (2) software and applications that embrace radical architecture diversity; (3) engineered security and integrity, from transistors to applications; and (4) design with data-rich processes.

97 MATHEMATICS AND COMPUTING↗

Creation of an Enhanced Geothermal System through Hydraulic and Thermal Stimulation

This report describes a 10-year DOE-funded project to design, characterize and create an Engineered Geothermal System (EGS) through a combination of hydraulic, thermal and chemical stimulation techniques. Volume 1 describes a four-year Phase 1 campaign, which focused on the east compartment of the Coso geothermal field. It includes a description of the geomechanical, geophysical, hydraulic, and geochemical studies that were conducted to characterize the reservoir in anticipation of the hydraulic stimulation experiment. Phase 1 ended prematurely when the drill bit intersected a very permeable fault zone during the redrilling of target stimulation well 34-9RD2. A hydraulic stimulation was inadvertently achieved, however, since the flow of drill mud from the well into the formation created an earthquake swarm near the wellbore that was recorded, located, analyzed and interpreted by project seismologists. Upon completion of Phase 1, the project shifted focus to a new target well, which was located within the southwest compartment of the Coso geothermal field. Volume 2 describes the Phase 2 studies on the geomechanical, geophysical, hydraulic, and geochemical aspects of the reservoir in and around target-stimulation well 46A-19RD, which is the deepest and hottest well ever drilled at Coso. Its total measured depth exceeding 12,000 ft. It spite of its great depth, this well is largely impermeable below a depth of about 9,000 ft, thus providing an excellent target for stimulation. In order to prepare 46A-19RD for stimulation, however, it was necessary to pull the slotted liner. This proved to be unachievable under the budget allocated by the Coso Operating Company partners, and this aspect of the project was abandoned, ending the program at Coso. The program then shifted to the EGS project at Desert Peak, which had a goal similar to the one at Coso of creating an EGS on the periphery of an existing geothermal reservoir. Volume 3 describes the activities that the Coso team contributed to the Desert Peak project, focusing largely on a geomechanical investigation of the Desert Peak reservoir, tracer testing between injectors 21-2 and 22-22 and the field's main producers, and the chemical stimulation of target well 27-15.

15 GEOTHERMAL ENERGY↗

Creation of an Enhanced Geothermal System through Hydraulic and Thermal Stimulation

This report describes a 10-year DOE-funded project to design, characterize and create an Engineered Geothermal System (EGS) through a combination of hydraulic, thermal and chemical stimulation techniques. Volume 1 describes a four-year Phase 1 campaign, which focused on the east compartment of the Coso geothermal field. It includes a description of the geomechanical, geophysical, hydraulic, and geochemical studies that were conducted to characterize the reservoir in anticipation of the hydraulic stimulation experiment. Phase 1 ended prematurely when the drill bit intersected a very permeable fault zone during the redrilling of target stimulation well 34-9RD2. A hydraulic stimulation was inadvertently achieved, however, since the flow of drill mud from the well into the formation created an earthquake swarm near the wellbore that was recorded, located, analyzed and interpreted by project seismologists. Upon completion of Phase 1, the project shifted focus to a new target well, which was located within the southwest compartment of the Coso geothermal field. Volume 2 describes the Phase 2 studies on the geomechanical, geophysical, hydraulic, and geochemical aspects of the reservoir in and around target-stimulation well 46A-19RD, which is the deepest and hottest well ever drilled at Coso. Its total measured depth exceeding 12,000 ft. It spite of its great depth, this well is largely impermeable below a depth of about 9,000 ft, thus providing an excellent target for stimulation. In order to prepare 46A-19RD for stimulation, however, it was necessary to pull the slotted liner. This proved to be unachievable under the budget allocated by the Coso Operating Company partners, and this aspect of the project was abandoned, ending the program at Coso. The program then shifted to the EGS project at Desert Peak, which had a goal similar to the one at Coso of creating an EGS on the periphery of an existing geothermal reservoir. Volume 3 describes the activities that the Coso team contributed to the Desert Peak project, focusing largely on a geomechanical investigation of the Desert Peak reservoir, tracer testing between injectors 21-2 and 22-22 and the field's main producers, and the chemical stimulation of target well 27-15.

15 GEOTHERMAL ENERGY↗

A Survey of Multizone Airflow Simulation Software

H-Canyon simulates the building and process ventilation to ensure positive contamination control for any modifications as well as evaluating off-normal conditions. Simulations can also be used to identify air quality of personnel occupied areas. The models can be classified into two groups, single and multi-zone models. As the name states, a single zone model assumes that the building can be described by a single, well-mixed zone. Whereas large buildings have structures that must be described as multizone. Multizone airflow models deal with the difficulty of flows in a building by distinguishing the effects of internal flow restrictions. Several models have been developed that take internal partitions into account. CONTAM (currently used) is a multizone airflow program created by NIST to determine airflows including infiltration, exfiltration, wind pressures acting outside the building, buoyancy effects caused by the indoor and outdoor air temperature difference. COMIS is a multizone air infiltration, ventilation, and contaminant transport model that was developed at Lawrence Berkeley National Laboratory. COMIS deals with applied pressure distribution, airflow components, HVAC systems, schedules, and contaminant transport. EnergyPlus is designed by DOE. It supports flexible component level configuration of HVAC models and simulates sub-hourly time steps to control fast dynamic systems. The program features include providing accurate environmental performance data including energy consumption and carbon emissions, and reporting solar gains on surfaces. Heavent is used to model industrial ventilation systems to control airborne contaminants. It's designed based on the American Conference of Governmental Industrial Hygienists (ACGIH) Ventilation manual. DesignBuilder is the most recognized and advanced user interface to EnergyPlus. It gives access to all of the most frequently required simulation capabilities covering building fabric, thermal mass, glazing, shading renewables, and HVAC analysis. The objective of this study is to identify all relevant software available including commercially licensed, freely licensed, and open source, that can be used to simulate large, complex process facility ventilation systems. All discovered software tools are evaluated for salient features and compared to the software tool currently used to simulate the H-Canyon ventilation system. The design criteria of a ventilation system has two basic requirements: Supplying fresh air for the occupants and changing the air in the room sufficiently; therefore, the smells, fumes, and contaminants will be removed. In this study, first, whether the software simulates airflow (infiltration, natural ventilation, and interzonal) or considers them to be inputs is discussed. Second, if indoor contaminant levels are considered; and finally suggestions on how airflow analysis can be more appropriately accounted for when performing airflow simulation of a building. All of the airflow software reviewed for this study can account for constant infiltration and natural ventilation rates that are not affected by changes in indoor and outdoor conditions. Modelling infiltration in EnergyPlus or DesignBuilder are applicable for small buildings and not appropriate for larger buildings like the H-Canyon. The effect of wind on external pressures, infiltration, and natural and mechanical ventilation, can also be calculated using all of these software. These programs have control options to switch between natural to mechanical ventilation modes or both (hybrid). Interzonal airflow can be applied which means one zone can be specified to receive a fixed amount of air from another zone. The following ventilation modeling software is recommended for further testing: CONTAM, COMIS, Heavent. The next step in evaluating the software will consist of creating test facility simulations using evaluation copies of the software.

42 ENGINEERING↗

Complete Evaluation of ION Cost Reduction Opportunities for LWRS Pathways

The Light Water Reactor Sustainability (LWRS) Program, sponsored by the U.S. Department of Energy (DOE), plays a pivotal role in enhancing the sustainability, safety, and economic viability of the nation's fleet of nuclear power plants. This program collaborates extensively with industry, vendors, suppliers, regulatory agencies, and research and development organizations within the nuclear energy sector. The overarching goals of the LWRS program are twofold: to provide innovative science and technology-based solutions to the nuclear industry, surpassing current performance models, and to manage the aging of systems, structures, and components (SSCs) to extend the operational lifetimes of nuclear power plants safely, efficiently, and economically. The program focuses on five research and development pathways: Plant Modernization: This pathway seeks to enhance the economic viability of nuclear power plants in evolving energy markets through innovation, efficiency improvements, and digital transformation. The integration of digital technologies into plant operations is a central theme, aiming to create a seamless digital environment that improves plant economics and safety. Flexible Plant Operation and Generation: Research efforts in this pathway explore opportunities for light-water reactors (LWRs) to directly supply energy to industrial processes, diversifying revenue generation approaches and improving economic sustainability.

42 ENGINEERING↗

Disposal Systems Evaluation Framework DSEF User Manual (V.3.0)

The Disposal Systems Evaluation Framework (DSEF) has been developed at Lawrence Livermore National Laboratory (LLNL) to formalize and facilitate the development and documentation of repository conceptual design options for a range of waste forms, geologic environments, repository design concepts, and repository operating modes. DSEF is one component of the Engineered Barrier System (EBS) family of work packages at several national laboratories led by Sandia National Laboratories (SNL), in support of the DOE Office of Nuclear Energy, specifically of the Used Fuel Disposition (UFD) Campaign within the Office of Used Nuclear Fuel Disposition Research and Development (NE-53). DSEF is a knowledge management system that allows the user to intelligently access and draw data from a case library of hundreds of completed thermal analyses (currently 721 cases in the library), and draw input from databases of material properties and repository development cost data (currently the data in these databases are drawn from more than 100 references). The core functionality of DSEF is provided by a Microsoft Office Excel 2010 workbook with macros and form controls that create a structured environment and walk the user through the steps of creating the input data required to perform disposal system evaluations internally and by interfacing with external programs. The user can choose to work with built-in data from the case library of previous analysis cases, from the material property databases, or can define their own input descriptions and data. DSEF uses the Excel worksheet protection (implemented on a sheet by sheet basis) to prevent inadvertent over-writing of formulas with data. When worksheet protection is enabled, the user can see all underlying formulas, and enter data in unprotected cells (the unprotected cells generally correspond to the yellow highlighted cells). Worksheet protection also prevents restructuring the files (adding or deleting rows or columns) and changing the formatting, as well as preventing access to the Visual Basic Editor to prevent modification of the macros. If the user needs to modify the worksheet structure, formulas, or macros, they can contact LLNL to get the password to unprotect the worksheets. However, care should be taken in making any modifications, since the macros and formulas are dependent in some cases on the current structure, range names, and macro subroutines DSEF is set up to retrieve the results of external thermal analysis program runs, summarize them graphically, and provide a template for adding the new results to the Case Library. The Case Library worksheet in DSEF is set up to create a Case Library data record for each new analysis case, at the top of the list of prior cases. Therefore, a separate DSEF file (with unique name) should be saved for each run that is to be archived. Users should submit a copy of their DSEF files to LLNL so that their results can be added to the overall Case Library and made available to other laboratories and stakeholders. LLNL will maintain the DSEF Case Library and make the most current files available on the SNL SharePoint site. The Revision History sheet documents the file evolution. One of the key objectives of DSEF is to allow the user to compare the results of thermal analyses to the thermal constraints of the design components. These comparisons can then be used to consider design, layout, and operating mode modifications to find combinations that can meet the thermal constraints for a given combination of waste form, geologic medium, surface storage time, and system concept of operation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Recovery Act: Oxy-Combustion Technology Development for Industrial-Scale Boiler Applications. Task 4 - Testing in Alstom's 15 MW th Boiler Simulation Facility

Alstom Power Inc. (Alstom), under U.S. DOE/NETL Cooperative Agreement No. DE-NT0005290, is conducting a development program to generate detailed technical information needed for application of oxy-combustion technology. The program is designed to provide the necessary information and understanding for the next step of large-scale commercial demonstration of oxy combustion in tangentially fired boilers and to accelerate the commercialization of this technology. The main project objectives include: Design and develop an innovative oxyfuel system for existing tangentially-fired boiler units that minimizes overall capital investment and operating costs; Evaluate performance of oxyfuel tangentially fired boiler systems in pilot scale tests at Alstom’s 15 MWth tangentially fired Boiler Simulation Facility (BSF); Address technical gaps for the design of oxyfuel commercial utility boilers by focused testing and improvement of engineering and simulation tools; Develop the design, performance and costs for a demonstration scale oxyfuel boiler and auxiliary systems; Develop the design and costs for both industrial and utility commercial scale reference oxyfuel boilers and auxiliary systems that are optimized for overall plant performance and cost; and, Define key design considerations and develop general guidelines for application of results to utility and different industrial applications. The project was initiated in October 2008 and the scope extended in 2010 under an ARRA award. The project is scheduled for completion by April 30, 2014. Central to the project is 15 MWth testing in the BSF, which provided in-depth understanding of oxy-combustion under boiler conditions, detailed data for improvement of design tools, and key information for application to commercial scale oxy-fired boiler design. Eight comprehensive 15 MWth oxy-fired test campaigns were performed with different coals, providing detailed data on combustion, emissions, and thermal behavior over a matrix of fuels, oxy-process variables and boiler design parameters. Significant improvement of CFD modeling tools and validation against 15 MWth experimental data has been completed. Oxy-boiler demonstration and large reference designs have been developed, supported with the information and knowledge gained from the 15 MWth testing. This report addresses the results from the 15 MWth testing in the BSF.

01 COAL, LIGNITE, AND PEAT↗

Recovery Act: Oxy-Combustion Technology Development for Industrial-Scale Boiler Applications

Alstom Power Inc. (Alstom), under U.S. DOE/NETL Cooperative Agreement No. DE-NT0005290, is conducting a development program to generate detailed technical information needed for application of oxy-combustion technology. The program is designed to provide the necessary information and understanding for the next step of large-scale commercial demonstration of oxy combustion in tangentially fired boilers and to accelerate the commercialization of this technology. The main project objectives include: • Design and develop an innovative oxyfuel system for existing tangentially-fired boiler units that minimizes overall capital investment and operating costs. • Evaluate performance of oxyfuel tangentially fired boiler systems in pilot scale tests at Alstom’s 15 MWth tangentially fired Boiler Simulation Facility (BSF). • Address technical gaps for the design of oxyfuel commercial utility boilers by focused testing and improvement of engineering and simulation tools. • Develop the design, performance and costs for a demonstration scale oxyfuel boiler and auxiliary systems. • Develop the design and costs for both industrial and utility commercial scale reference oxyfuel boilers and auxiliary systems that are optimized for overall plant performance and cost. • Define key design considerations and develop general guidelines for application of results to utility and different industrial applications. The project was initiated in October 2008 and the scope extended in 2010 under an ARRA award. The project completion date was April 30, 2014. Central to the project is 15 MWth testing in the BSF, which provided in-depth understanding of oxy-combustion under boiler conditions, detailed data for improvement of design tools, and key information for application to commercial scale oxy-fired boiler design. Eight comprehensive 15 MWth oxy-fired test campaigns were performed with different coals, providing detailed data on combustion, emissions, and thermal behavior over a matrix of fuels, oxyprocess variables and boiler design parameters. Significant improvement of CFD modeling tools and validation against 15 MWth experimental data has been completed. Oxy-boiler demonstration and large reference designs have been developed, supported with the information and knowledge gained from the 15 MWth testing. The results from the 15 MWth testing in the BSF and complimentary bench-scale testing are addressed in this volume (Volume II) of the final report. The results of the modeling efforts (Volume III) and the oxy boiler design efforts (Volume IV) are reported in separate volumes.

42 ENGINEERING↗

Domain-Specific Languages For Developing and Deploying Signature Discovery Workflows

Domain-agnostic Signature Discovery entails scientific investigation across multiple domains through the re-use of existing algorithms into workflows. The existing algorithms may be written in any programming language for various hardware architectures (e.g., desktops, commodity clusters, and specialized parallel hardware platforms). This raises an engineering issue in generating Web services for heterogeneous algorithms so that they can be composed into a scientific workflow environment (e.g., Taverna). In this paper, we present our software tool that defines two simple Domain-Specific Languages (DSLs) to automate these processes: SDL and WDL. Our Service Description Language (SDL) describes key elements of a signature discovery algorithm and generates the service code. The Workflow Description Language (WDL) describes the pipeline of services and generates deployable artifacts for the Taverna workflow management system. We demonstrate our tool with a landscape classification example that is represented by BLAST workflows composed of services that wrap original scripts.

Jacob, Ferosh↗

MFANS 2024 - Formally Proving Characteristics of Cyber-Physical Systems

Cyber-physical systems (CPS) are engineered systems that rely on the smooth integration of computational algorithms and physical elements. This integration presents new challenges for verifying that systems will behave as expected. The goal of this presentation is to present current challenges and potential solutions for the formal verification of cyber-physical systems. For cyber systems, formal methods refer to systematically rigorous mathematical techniques employed in the specification, development, analysis, and verification of both software and hardware systems. Recent advancements in computer science have yielded sophisticated tools specifically designed to address challenges associated with formal methods in complex systems. These tools leverage various foundational concepts such as logic, formal languages, program semantics, type systems, type theory, and automata theory. A notable achievement in the application of formal methods is the seL4 microkernel, claimed to be the first general-purpose operating-system kernel to be verified. Its proof implies the absence of bugs and guarantees that the kernel meets specifications. For physical systems, dynamic and control theory has a history of using rigorous analytic techniques to prove functional correctness. Lyapunov, optimal, classical, modern, and robust control theories all provide rigorous mathematical methods both to analyze system performance and to design controller that can be guaranteed to meet certain objectives. Recent computational techniques like level set theory and reachability analysis provide assertions that a system's state will avoid unsafe regions. Even though success has been independently achieved for cyber systems and physical systems, the integration of such systems creates new challenges. In particular, there is an obvious discrepancy between finite-state machines and infinite-state systems, resulting in different approaches for modeling and analyzing these system. While it is possible to simulate hybrid systems, this provides only a demonstration of a performance and not proof. For hybrid systems, current formal methods and system analysis approaches typically require a workarounds to work on hybrid systems like CPS. This paper will outline the state of the art and limits of current practice for formally verifying CPS and will identify possible research directions that require attention.

97 MATHEMATICS AND COMPUTING↗

Envision Charlotte Project Final Report

The Envision Charlotte Project (EC Project), supported by partners at the Center for Climate and Energy Solutions, the University of North Carolina at Charlotte’s Center for Sustainably Integrated Buildings and Sites and the City of Charlotte, has successfully demonstrated that existing buildings can benefit from operations improvements and low-cost efficiency upgrades, and that behavioral change campaigns can be effectively designed for measurability, longevity and impact. Support from this grant gave Envision Charlotte and its partners the resources and flexibility to demonstrate a variety of approaches to improve coordination with stakeholders in the implementation of programs to reduce the consumption of energy, water and waste. The project team also gained insights into the motivations and abilities that influence stakeholder engagement in sustainability initiatives at multiple levels. Importantly, as this report describes, strong partnerships between nonprofits, industry partners and research institutions can produce tangible impacts and replicable results in building efficiency. Further, building operators working alongside student researchers can form productive relationships that can advance building energy management goals. Key Findings of the EC Project This project focused on advancing solutions to energy efficiency in U.S. commercial buildings. The Building Re-Tuning™ Training (BRT) developed by the U.S. DOE’s Pacific Northwest National Lab (PNNL), designed to detect energy savings opportunities and implement improvements with resources and online tools, provided the starting point for the curriculum developed by stakeholders in the EC Project. Although the project partners encountered some issues with data consistency, the overall project outcomes fell short of the energy savings stated in the original proposal, and the total participating building targets were lower than anticipated, important findings, outcomes and lessons learned were achieved. EC Project grantees observed that the PNNL BRT, as currently written, was not compatible with the skills of average frontline mechanical personnel in the Charlotte region where the grant program was performed. Frontline staff are not, typically, energy managers, engineers or building commissioning agents, but they can play a key role in building performance. As detailed in this report, the grantees therefore focused on changes to the BRT that improved the level of training and competency of the frontline workers in this region. Among the technical observations related to improving the BRT that were observed in the EC Project: centralized facilities management often has an impact on building performance; operators can be overly reliant on service contracts; individual behaviors matter, and technology cannot be viewed as a crutch; current Building Automation Systems (BAS) are often too complex to support building efficiency optimization, but BAS coupled with appropriate training can support better outcomes; the “perfectly optimized” building is not a near-term possibility, but better education, especially of executives and managers, on the role of behavioral intervention is a promising direction the building science community can and should pursue; a lack of standards and protocols, and competition between proprietary software from service contracts, remain challenges for this industry. These technical observations, in turn, informed the EC Project’s overall findings, which were: Accomplishing building efficiency is a process of education for all involved in the building design, construction and operation supply chain. Building operators, as a professional class, have an opportunity for further training and education that will lead to better on-the-job performance. An updated Building Re-Tuning™ Training curriculum, based on the findings of this report, could be an avenue for these operators’ professional development.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗