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At least 1,261 records · Page 70

Resilience Design Patterns: A Structured Approach to Resilience at Extreme Scale

Reliability is a serious concern for future extreme-scale high-performance computing (HPC) systems. Projections based on the current generation of HPC systems and technology roadmaps suggest the prevalence of very high fault rates in future systems. While the HPC community has developed various resilience solutions, application-level techniques as well as system-based solutions, the solution space remains fragmented. There are no formal methods and metrics to integrate the various HPC resilience techniques into composite solutions, nor are there methods to holistically evaluate the adequacy and efficacy of such solutions in terms of their protection coverage, and their performance \& power efficiency characteristics. Additionally, few of the current approaches are portable to newer architectures and software environments that will be deployed on future systems. In this paper, we develop a structured approach to the design, evaluation and optimization of HPC resilience using the concept of design patterns. A design pattern is a general repeatable solution to a commonly occurring problem. We identify the problems caused by various types of faults, errors and failures in HPC systems and the techniques used to deal with these events. Each well-known solution that addresses a specific HPC resilience challenge is described in the form of a pattern. We develop a complete catalog of such resilience design patterns, which may be used by system architects, system software and tools developers, application programmers, as well as users and operators as essential building blocks when designing and deploying resilience solutions. We also develop a design framework that enhances a designer's understanding the opportunities for integrating multiple patterns across layers of the system stack and the important constraints during implementation of the individual patterns. It is also useful for defining mechanisms and interfaces to coordinate flexible fault management across hardware and software components. The resilience patterns and the design framework also enable exploration and evaluation of design alternatives and support optimization of the cost-benefit trade-offs among performance, protection coverage, and power consumption of resilience solutions. Here, the overall goal of this work is to establish a systematic methodology for the design and evaluation of resilience technologies in extreme-scale HPC systems that keep scientific applications running to a correct solution in a timely and cost-efficient manner despite frequent faults, errors, and failures of various types.

97 MATHEMATICS AND COMPUTING↗

Towards scalable dataframe systems

Dataframes are a popular abstraction to represent, prepare, and analyze data. Despite the remarkable success of dataframe libraries in R and Python, dataframes face performance issues even on moderately large datasets. Moreover, there is significant ambiguity regarding dataframe semantics. In this paper we lay out a vision and roadmap for scalable dataframe systems. To demonstrate the potential in this area, we report on our experience building Modin, a scaled-up implementation of the most widely-used and complex dataframe API today, Python's pandas. With pandas as a reference, we propose a simple data model and algebra for dataframes to ground discussion in the field. Given this foundation, we lay out an agenda of open research opportunities where the distinct features of dataframes will require extending the state of the art in many dimensions of data management. We discuss the implications of signature dataframe features including flexible schemas, ordering, row/column equivalence, and data/metadata fluidity, as well as the piecemeal, trial-and-error-based approach to interacting with dataframes.

97 MATHEMATICS AND COMPUTING↗

Reconstructing the backbone of the Saccharomycotina yeast phylogeny using genome-scale data

Understanding the phylogenetic relationships among the yeasts of the subphylum Saccharomycotina is a prerequisite for understanding the evolution of their metabolisms and ecological lifestyles. In the last two decades, the use of rDNA and multilocus data sets has greatly advanced our understanding of the yeast phylogeny, but many deep relationships remain unsupported. In contrast, phylogenomic analyses have involved relatively few taxa and lineages that were often selected with limited considerations for covering the breadth of yeast biodiversity. Here we used genome sequence data from 86 publicly available yeast genomes representing nine of the 11 known major lineages and 10 nonyeast fungal outgroups to generate a 1233-gene, 96-taxon data matrix. Species phylogenies reconstructed using two different methods (concatenation and coalescence) and two data matrices (amino acids or the first two codon positions) yielded identical and highly supported relationships between the nine major lineages. Aside from the lineage comprised by the family Pichiaceae, all other lineages were monophyletic. Most interrelationships among yeast species were robust across the two methods and data matrices. Furthermore, eight of the 93 internodes conflicted between analyses or data sets, including the placements of: the clade defined by species that have reassigned the CUG codon to encode serine, instead of leucine; the clade defined by a whole genome duplication; and the species Ascoidea rubescens . These phylogenomic analyses provide a robust roadmap for future comparative work across the yeast subphylum in the disciplines of taxonomy, molecular genetics, evolutionary biology, ecology, and biotechnology. To further this end, we have also provided a BLAST server to query the 86 Saccharomycotina genomes, which can be found at http://y1000plus.org/blast.

59 BASIC BIOLOGICAL SCIENCES↗

Emerging operando and x-ray pair distribution function methods for energy materials development

Our energy needs drive widespread materials research. Advances in materials characterization are critical to this research effort. Using new characterization tools that allow us to probe the atomic structure of energy materials in situ as they operate, we can identify how their structure is linked to their functional properties and performance. These fundamental insights serve as a roadmap to enhance performance in the next generation of advanced materials. In the last decade, developments in synchrotron instrumentation have made the pair distribution function (PDF) method and operando x-ray studies more readily accessible tools capable of providing valuable insights into complex materials systems. Here, the emergence of the PDF method as a versatile structure characterization tool and the further enhancement of this method through developments in operando capabilities and multivariate data analytics are described. These advances in materials characterization are demonstrated by several highlighted studies focused on energy storage in batteries.

36 MATERIALS SCIENCE↗

Materials laboratories of the future for alloys, amorphous, and composite materials

In alignment with the Materials Genome Initiative and as the product of a workshop sponsored by the US National Science Foundation, we define a vision for materials laboratories of the future in alloys, amorphous materials, and composite materials; chart a roadmap for realizing this vision; identify technical bottlenecks and barriers to access; and propose pathways to equitable and democratic access to integrated toolsets in a manner that addresses urgent societal needs, accelerates technological innovation, and enhances manufacturing competitiveness. Spanning three important materials classes, this article summarizes the areas of alignment and unifying themes, distinctive needs of different materials research communities, key science drivers that cannot be accomplished within the capabilities of current materials laboratories, and open questions that need further community input. Here, we provide a broader context for the workshop, synopsize the salient findings, outline a shared vision for democratizing access and accelerating materials discovery, highlight some case studies across the three different materials classes, and identify significant issues that need further discussion.

36 MATERIALS SCIENCE↗

A review of laser materials processing paradigms

Laser-based processing of materials has progressed from traditional applications such as macroscale cutting and welding, to sophisticated techniques, including ultrafast micromachining, additive manufacturing, and surface engineering at micro- and nano-metric scales. Innovations in laser source technology, particularly the advent of high-power and ultrashort-pulse lasers, have expanded the range of processable materials, enabled a plethora of manufacturing applications, and propelled groundbreaking research in optics, photonics, electronics, and biomedical domains. In this article, we provide a concise, yet broad review of the congruent evolution of lasers and materials processing, and highlight seminal developments in the field over the years, combined with a critical assessment of the state of the art. Finally, we also provide an outlook on emerging needs, as well as a roadmap of anticipated developments in laser technologies and materials platforms over the next 50 years.

Lasers↗

SECARB Project Overview Book

In 2003, the United States Department of Energy (DOE) issued awards initiating seven Regional Carbon Sequestration Partnerships (RCSP) spanning the United States and portions of Canada. Managed by DOE’s National Energy Technology Laboratory (NETL), the RCSPs currently represent more than 400 state agencies, universities, and private companies, spanning 43 states, three Native American Organizations, and four Canadian provinces. The Southern States Energy Board (SSEB) received an award on October 1, 2003, which established the Board’s overall management and administration of the Southeast Regional Carbon Sequestration Partnership, or SECARB. The geographical region currently includes 13 states and a network of more than 100 stakeholders. The Nation’s leading scientists, university researchers, national laboratories, industrial representatives, environmental organizations, and many others have taken a proactive approach at identifying and characterizing the most promising options for technology deployment and carbon dioxide (CO2) utilization and storage (CCUS) for the Southeast. The results obtained during these injections will be important to the future commercialization of CCUS technologies and the continued use of fossil fuels as a significant energy source in a manner that is environmentally responsible. Each of the six SECARB project locations has been locally coordinated by its own field team. The field teams assume responsibility for the technical scope of work, local education and outreach, permitting, monitoring, verification, and accounting (MVA), and maintaining the validation test’s schedule and budget. Each team contributes new information to the continued characterization of the region. In addition, a task is dedicated to integrating field data and filling gaps in regional characterization data sets. Data and tools developed in the Continued Characterization task are incorporated into a relational database and geographic information system (GIS). All field tests, the continued characterization project, and the cross-cutting functions are designed to support the DOE roadmap by validating technologies and identifying locations throughout the region that could support full-scale CCUS deployment opportunities. Detailed fact sheets for the SECARB projects are available on the SECARB website at www.secarbon.org (see “Projects” tab).

RCSP↗

Intermountain West Energy Sustainability & Transitions Initiative: CO2 Transport and Geologic Storage Modeling Results

These resources provide the full set of cost modeling results and methods as part of the I-WEST Roadmap Initiative that were used to compile figures as part of the "Pathways to CO2 Utilization and Storage for the Intermountain West Region" chapter. The data were generated from a series of National Energy Technology Laboratory (NETL) cost models and relate to carbon dioxide (CO2) transport costs, CO2 enhanced oil recovery (CO2-EOR) economics, and saline storage economics. These models were used to analyze various business cases given changes in technical and financial assumptions for the I-WEST region as a means to explore how these assumptions influence CO2 transport and storage costs, as well as to evaluate the effect of changing oil prices on the viability of CO2-EOR and the mass of CO2 stored via CO2-EOR. The accompanying report titled "Intermountain West Energy Sustainability & Transitions Initiative: CO2 Transport and Geologic Storage Modeling Results" provides a detailed overview on the models, assumptions, and parameters used in the modeling, as well as example results..

CO2 EOR costs,CO2 Storage Costs,CO2 transportation↗

Status Update of Permanent Magnet Radiation Resiliency Studies at CEBAF

The proposed energy upgrade of the Continuous Electron Beam Accelerator Facility (CEBAF) incorporates Fixed-Field Alternating-gradient (FFA) arcs utilizing permanent magnet technology. Given the radiation environment within the CEBAF tunnel enclosure, validating the long-term magnetic stability of these materials is a critical step for the project's technical feasibility. This contribution presents an overview of the ongoing permanent magnet radiation resiliency program at Jefferson Lab. We briefly review the experimental methodology used to monitor demagnetization in situ and summarize the operational experience from the initial data-taking campaign. Furthermore, we discuss the upgrades implemented for the second exposure campaign, currently underway, which aims to refine dose correlation and reduce systematic uncertainties. We report on the general status of the program and the roadmap for certifying permanent magnet optics for the proposed upgrade energies.

Bodenstein, R. [Thomas Jefferson National Accelera↗

Factors Influencing Building Demand Flexibility

The U.S. Department of Energy’s National Roadmap for Grid-interactive Efficient Buildings (GEB) acknowledged that building demand flexibility (DF) is both an important strategy to decarbonizing the buildings sector and an important resource for meeting the changing needs of the electrical grid such as improving grid reliability. However, understanding the complexity and uncertainties in real building field performance of DF strategies is a large gap hindering stakeholders on both grid and buildings side to make investments on deploying such strategies. The research work in this report intended to advance understanding of the variability and influential factors in building demand flexibility. Adding such knowledge based on lab testing results and measured performance data from real buildings is an important contribution. The report uses standardized metrics and methods to quantify DF performance from field-measured DF datasets of two significant building groups of big-box retail and medium office buildings to present the challenge of building DF variability in multiple dimensions. The report presents findings related to how several key factors influence building demand flexibility from implementing a common, cost-effective DF control strategy (i.e., adjusting zone temperatures). The findings are supported by full-scale lab testing, field data analysis and simulation research. The authors also provided application-oriented recommendations to stakeholders such as building aggregators, utility program design professionals, sophisticated building portfolio owners, and more.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Advanced Instrumentation and Control Methods for Small and Medium Reactors with IRIS Demonstration

Development and deployment of small-scale nuclear power reactors and their maintenance, monitoring, and control are part of the mission under the Small Modular Reactor (SMR) program. The objectives of this NERI-consortium research project are to investigate, develop, and validate advanced methods for sensing, controlling, monitoring, diagnosis, and prognosis of these reactors, and to demonstrate the methods with application to one of the proposed integral pressurized water reactors (IPWR). For this project, the IPWR design by Westinghouse, the International Reactor Secure and Innovative (IRIS), has been used to demonstrate the techniques developed under this project. The research focuses on three topical areas with the following objectives. Objective 1 - Develop and apply simulation capabilities and sensitivity/uncertainty analysis methods to address sensor deployment analysis and small grid stability issues. Objective 2 - Develop and test an autonomous and fault-tolerant control architecture and apply to the IRIS system and an experimental flow control loop, with extensions to multiple reactor modules, nuclear desalination, and optimal sensor placement strategy. Objective 3 - Develop and test an integrated monitoring, diagnosis, and prognosis system for SMRs using the IRIS as a test platform, and integrate process and equipment monitoring (PEM) and process and equipment prognostics (PEP) toolboxes. The research tasks are focused on meeting the unique needs of reactors that may be deployed to remote locations or to developing countries with limited support infrastructure. These applications will require smaller, robust reactor designs with advanced technologies for sensors, instrumentation, and control. An excellent overview of SMRs is described in an article by Ingersoll (2009). The article refers to these as deliberately small reactors. Most of these have modular characteristics, with multiple units deployed at the same plant site. Additionally, the topics focus on meeting two of the eight needs outlined in the recently published 'Technology Roadmap on Instrumentation, Control, and Human-Machine Interface (ICHMI) to Support DOE Advanced Nuclear Energy Programs' which was created 'to provide a systematic path forward for the integration of new ICHMI technologies in both near-term and future nuclear power plants and the reinvigoration of the U.S. nuclear ICHMI community and capabilities.' The research consortium is led by The University of Tennessee (UT) and is focused on three interrelated topics: Topic 1 (simulator development and measurement sensitivity analysis) is led by Dr. Mike Doster with Dr. Paul Turinsky of North Carolina State University (NCSU). Topic 2 (multivariate autonomous control of modular reactors) is led by Dr. Belle Upadhyaya of the University of Tennessee (UT) and Dr. Robert Edwards of Penn State University (PSU). Topic 3 (monitoring, diagnostics, and prognostics system development) is led by Dr. Wes Hines of UT. Additionally, South Carolina State University (SCSU, Dr. Ken Lewis) participated in this research through summer interns, visiting faculty, and on-campus research projects identified throughout the grant period. Lastly, Westinghouse Science and Technology Center (Dr. Mario Carelli) was a no-cost collaborator and provided design information related to the IRIS demonstration platform and defining needs that may be common to other SMR designs. The results of this research are reported in a six-volume Final Report (including the Executive Summary, Volume 1). Volumes 2 through 6 of the report describe in detail the research and development under the topical areas. This volume serves to introduce the overall NERI-C project and to summarize the key results. Section 2 provides a summary of the significant contributions of this project. A list of all the publications under this project is also given in Section 2. Section 3 provides a brief summary of each of the five volumes (2-6) of the report. The contributions of SCSU are described in Section 4, including a summary of undergraduate research experience. The project management organizational chart is provided as Figure 1. Appendices A, B, and C contain the reports on the summer research performed at the University of Tennessee by undergraduate students from South Carolina State University.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

National Postirradiation Examination Workshop Report

A National Post-Irradiation-Examination (PIE) Workshop was held March 29-30, 2011, in Washington D.C., stimulated by the DOE Acting Assistant Secretary for Nuclear Energy approval on January 31, 2011 of the “Mission Need Statement for Advanced Post-Irradiation Examination Capability”. As stated in the Mission Need, “A better understanding of nuclear fuels and material performance in the nuclear environment, at the nanoscale and lower, is critical to the development of innovative fuels and materials required for tomorrow’s nuclear energy systems.” (2011) Developing an advanced post-irradiation capability is the most important thing we can do to advance nuclear energy as an option to meeting national energy goals. Understanding the behavior of fuels and materials in a nuclear reactor irradiation environment is the limiting factor in nuclear plant safety, longevity, efficiency, and economics. The National PIE Workshop is part of fulfilling or addressing Department of Energy (DOE) missions in safe and publically acceptable nuclear energy. Several presentations were given during the opening of the workshop. Generally speaking, these presentations established that we cannot continue to rely on others in the world to provide the capabilities we need to move forward with nuclear energy technology. These presentations also generally identified the need for increased microstructural understanding of fuels and materials to be coupled with modeling and simulation, and increased accessibility and infrastructure to facilitate the interaction between national laboratories and participating organizations. The overall results of the work of the presenters and panels was distilled into four primary needs 1. Understanding material changes in the extreme nuclear environment at the nanoscale. Nanoscale studies have significant importance due to the mechanisms that cause materials to degrade, which actually occur on the nanoscale. 2. Enabling additional proficiency in experimentation and analysis through robust modeling coupled with advanced characterization. 3. Advancing the infrastructure and accessibility of physical and administrative systems needed to meet the needs of participating organizations that are subject to different time cycles and constraints that make working and collaborating the national laboratories challenging. 4. Pursuing in-situ analysis and instrumentation to support the examination of dynamic changes to materials’ microstructure, deformation, and surface effects as they occur with time scales rather than the static comparison offered by current PIE methods. This Workshop Report responds to the research challenges for advanced/future PIE needs for nuclear materials development outlined by Energy Secretary Chu and the DOE-NE Research and Development Roadmap report, which was delivered to Congress in April 2010, (DOE-NE, 2010) by identifying the technial needs for fuel and material development specifically related to PIE. The information from the panels address these research challenges by identifying specific needs related to each of the topical areas. The focus of the Workshop was to identify gaps in the enabling capabilities for nuclear energy research and to identify high-priority fundamental capabilities to enable research to be completed that would likely have high impact on enabling nuclear energy as a significant contributor to energy production portfolios.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Advanced Energy Retrofit Guide Office Buildings

The Advanced Energy Retrofit Guide for Office Buildings is a component of the Department of Energy’s Advanced Energy Retrofit Guides for Existing Buildings series. The aim of the guides is to facilitate a rapid escalation in the number of energy efficiency projects in existing buildings and to enhance the quality and depth of those projects. By presenting general project planning guidance as well as financial payback metrics for the most common energy efficiency measures, these guides provide a practical roadmap to effectively planning and implementing performance improvements for existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

Advanced Energy Retrofit Guide Retail Buildings

The Advanced Energy Retrofit Guide for Retail Buildings is a component of the Department of Energy’s Advanced Energy Retrofit Guides for Existing Buildings series. The aim of the guides is to facilitate a rapid escalation in the number of energy efficiency projects in existing buildings and to enhance the quality and depth of those projects. By presenting general project planning guidance as well as financial payback metrics for the most common energy efficiency measures, these guides provide a practical roadmap to effectively planning and implementing performance improvements for existing buildings.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

A design for a V&V and UQ discovery process.

There is currently sparse literature on how to implement systematic and comprehensive processes for modern V&V/UQ (VU) within large computational simulation projects. Important design requirements have been identified in order to construct a viable 'system' of processes. Significant processes that are needed include discovery, accumulation, and assessment. A preliminary design is presented for a VU Discovery process that accounts for an important subset of the requirements. The design uses a hierarchical approach to set context and a series of place-holders that identify the evidence and artifacts that need to be created in order to tell the VU story and to perform assessments. The hierarchy incorporates VU elements from a Predictive Capability Maturity Model and uses questionnaires to define critical issues in VU. The place-holders organize VU data within a central repository that serves as the official VU record of the project. A review process ensures that those who will contribute to the record have agreed to provide the evidence identified by the Discovery process. VU expertise is an essential part of this process and ensures that the roadmap provided by the Discovery process is adequate. Both the requirements and the design were developed to support the Nuclear Energy Advanced Modeling and Simulation Waste project, which is developing a set of advanced codes for simulating the performance of nuclear waste storage sites. The Waste project served as an example to keep the design of the VU Discovery process grounded in practicalities. However, the system is represented abstractly so that it can be applied to other M&S projects.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Progress toward bridging from atomistic to continuum modeling to predict nuclear waste glass dissolution.

This report summarizes research performed for the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Subcontinuum and Upscaling Task. The work conducted focused on developing a roadmap to include molecular scale, mechanistic information in continuum-scale models of nuclear waste glass dissolution. This information is derived from molecular-scale modeling efforts that are validated through comparison with experimental data. In addition to developing a master plan to incorporate a subcontinuum mechanistic understanding of glass dissolution into continuum models, methods were developed to generate constitutive dissolution rate expressions from quantum calculations, force field models were selected to generate multicomponent glass structures and gel layers, classical molecular modeling was used to study diffusion through nanopores analogous to those in the interfacial gel layer, and a micro-continuum model (K{mu}C) was developed to study coupled diffusion and reaction at the glass-gel-solution interface.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

High Temperature Gas Reactors: Assessment of Applicable Codes and Standards

Current interest expressed by industry in HTGR plants, particularly modular plants with power up to about 600 MW(e) per unit, has prompted NRC to task PNNL with assessing the currently available literature related to codes and standards applicable to HTGR plants, the operating history of past and present HTGR plants, and with evaluating the proposed designs of RPV and associated piping for future plants. Considering these topics in the order they are arranged in the text, first the operational histories of five shut-down and two currently operating HTGR plants are reviewed, leading the authors to conclude that while small, simple prototype HTGR plants operated reliably, some of the larger plants, particularly Fort St. Vrain, had poor availability. Safety and radiological performance of these plants has been considerably better than LWR plants. Petroleum processing plants provide some applicable experience with materials similar to those proposed for HTGR piping and vessels. At least one currently operating plant - HTR-10 - has performed and documented a leak before break analysis that appears to be applicable to proposed future US HTGR designs. Current codes and standards cover some HTGR materials, but not all materials are covered to the high temperatures envisioned for HTGR use. Codes and standards, particularly ASME Codes, are under development for proposed future US HTGR designs. A 'roadmap' document has been prepared for ASME Code development; a new subsection to section III of the ASME Code, ASME BPVC III-5, is scheduled to be published in October 2011. The question of terminology for the cross-duct structure between the RPV and power conversion vessel is discussed, considering the differences in regulatory requirements that apply depending on whether this structure is designated as a 'vessel' or as a 'pipe'. We conclude that designing this component as a 'pipe' is the more appropriate choice, but that the ASME BPVC allows the owner of the facility to select the preferred designation, and that either designation can be acceptable.

02 PETROLEUM↗

Bioeconomy Initiative at MBI International

Di-carboxylic acids have the potential to replace petrochemicals used in the polymer industry (Werpy and Petersen, 2004). MBI developed a process for the production of succinic acid using a proprietary organism. During this work MBI assessed the feasibility to produce other carboxylic acids either using A. succinogenes or other organisms. The development of recombinant A. succinogenes strain derivatives for a mono-carboxylic acid through over-expression of enzymatic activities was successful. Fermentations achieved titers of 58 g/L for this organic acid. Recombinant strains that produced the same acid, but a different stereoisomer, reached titers of 10 g/L. Attempts to increase the titers for this isomer as well as other organic acids were unsuccessful. MBI is looking for commercial partners to pursue the development of recombinant A. succinogenes strains for the production of other organic acids. Attempts to develop recombinant strains of A. succinogenes for fumaric acid production through introduction of various antisense RNA constructs were unsuccessful. Alternative suitable organisms were evaluated and Rhizopus oryzae, a natural fumaric acid producer with potential for process improvements, was selected. A novel fermentation and one-step recovery process was developed that allowed capture of IP, produced titers of >80 g/L with a productivity of 1.8 g/L-h and 57% (g/g glucose) yield. The process was scaled to 2000 L pilot scale. The economic analysis projected a production cost of 72 c/lb. Recycling and re-use of the base was demonstrated and incorporated into the process. The ability of the organism to produce fumaric acid from other carbon sources and biomass hydrolysate was demonstrated. The production of other organic acids was evaluated and techno-economic de-risking roadmap documents were prepared.

02 PETROLEUM↗