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DOE OSTI2011

Software Verification and Validation Plan Activities, 2011, Project Number: N6423, SAPHIRE Version 8

The SV&V Plan experienced changes over the past year to bring it into the operational software life cycle of SAPHIRE 8 and to maintain its sections on design features. Peer review of the SVVP with the former IV&V members identified the need for the operational use of metrics as a tool for quality maintenance and improvement. New tests were added to the SVVP to verify the operation of the new design features incorporated into SAPHIRE 8. Other additions to the SVVP were the addition of software metrics and the PDR and CDR processes. Audit support was provided for the NRC Technical Manager and Project Manager for the NRC OIG Audit performed throughout 2011. The SVVP is considered to be an up to date reference and useful roadmap of verification and validation activities going forward.

42 ENGINEERING↗
DOE OSTI2012

NEAMS Update: Quarterly Report for October - December 2011

The Advanced Modeling and Simulation Office within the DOE Office of Nuclear Energy (NE) has been charged with revolutionizing the design tools used to build nuclear power plants during the next 10 years. To accomplish this, the DOE has brought together the national laboratories, U.S. universities, and the nuclear energy industry to establish the Nuclear Energy Advanced Modeling and Simulation (NEAMS) Program. The mission of NEAMS is to modernize computer modeling of nuclear energy systems and improve the fidelity and validity of modeling results using contemporary software environments and high-performance computers. NEAMS will create a set of engineering-level codes aimed at designing and analyzing the performance and safety of nuclear power plants and reactor fuels. The truly predictive nature of these codes will be achieved by modeling the governing phenomena at the spatial and temporal scales that dominate the behavior. These codes will be executed within a simulation environment that orchestrates code integration with respect to spatial meshing, computational resources, and execution to give the user a common 'look and feel' for setting up problems and displaying results. NEAMS is building upon a suite of existing simulation tools, including those developed by the federal Scientific Discovery through Advanced Computing and Advanced Simulation and Computing programs. NEAMS also draws upon existing simulation tools for materials and nuclear systems, although many of these are limited in terms of scale, applicability, and portability (their ability to be integrated into contemporary software and hardware architectures). NEAMS investments have directly and indirectly supported additional NE research and development programs, including those devoted to waste repositories, safeguarded separations systems, and long-term storage of used nuclear fuel. NEAMS is organized into two broad efforts, each comprising four elements. The quarterly highlights October-December 2011 are: (1) Version 1.0 of AMP, the fuel assembly performance code, was tested on the JAGUAR supercomputer and released on November 1, 2011, a detailed discussion of this new simulation tool is given; (2) A coolant sub-channel model and a preliminary UO{sub 2} smeared-cracking model were implemented in BISON, the single-pin fuel code, more information on how these models were developed and benchmarked is given; (3) The Object Kinetic Monte Carlo model was implemented to account for nucleation events in meso-scale simulations and a discussion of the significance of this advance is given; (4) The SHARP neutronics module, PROTEUS, was expanded to be applicable to all types of reactors, and a discussion of the importance of PROTEUS is given; (5) A plan has been finalized for integrating the high-fidelity, three-dimensional reactor code SHARP with both the systems-level code RELAP7 and the fuel assembly code AMP. This is a new initiative; (6) Work began to evaluate the applicability of AMP to the problem of dry storage of used fuel and to define a relevant problem to test the applicability; (7) A code to obtain phonon spectra from the force-constant matrix for a crystalline lattice has been completed. This important bridge between subcontinuum and continuum phenomena is discussed; (8) Benchmarking was begun on the meso-scale, finite-element fuels code MARMOT to validate its new variable splitting algorithm; (9) A very computationally demanding simulation of diffusion-driven nucleation of new microstructural features has been completed. An explanation of the difficulty of this simulation is given; (10) Experiments were conducted with deformed steel to validate a crystal plasticity finite-element code for bodycentered cubic iron; (11) The Capability Transfer Roadmap was completed and published as an internal laboratory technical report; (12) The AMP fuel assembly code input generator was integrated into the NEAMS Integrated Computational Environment (NiCE). More details on the planned NEAMS computing environment is given; and (13) The NEAMS program website (neams.energy.gov) is nearly ready to launch.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2012

Analytical Chemistry Core Capability Assessment (Preliminary Report)

The concept of 'core capability' can be nebulous one. Even at a fairly specific level, where core capability equals maintaining essential services, it is highly dependent upon the perspective of the requestor. Samples are submitted to analytical services because the requesters do not have the capability to conduct adequate analyses themselves. Some requests are for general chemical information in support of R and D, process control, or process improvement. Many analyses, however, are part of a product certification package and must comply with higher-level customer quality assurance requirements. So which services are essential to that customer - just those for product certification? Does the customer also (indirectly) need services that support process control and improvement? And what is the timeframe? Capability is often expressed in terms of the currently utilized procedures, and most programmatic customers can only plan a few years out, at best. But should core capability consider the long term where new technologies, aging facilities, and personnel replacements must be considered? These questions, and a multitude of others, explain why attempts to gain long-term consensus on the definition of core capability have consistently failed. This preliminary report will not try to define core capability for any specific program or set of programs. Instead, it will try to address the underlying concerns that drive the desire to determine core capability. Essentially, programmatic customers want to be able to call upon analytical chemistry services to provide all the assays they need, and they don't want to pay for analytical chemistry services they don't currently use (or use infrequently). This report will focus on explaining how the current analytical capabilities and methods evolved to serve a variety of needs with a focus on why some analytes have multiple analytical techniques, and what determines the infrastructure for these analyses. This information will be useful in defining a roadmap for what future capability needs to look like.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
DOE OSTI2011

Three Dimensional Molecular Imaging for Lignocellulosic Materials

The development of high efficiency, inexpensive processing protocols to render biomass components into fermentable substrates for the sequential processing of cell wall components into fuels and important feedstocks for the biorefinery of the future is a key goal of the national roadmap for renewable energy. Furthermore, the development of such protocols depends critically on detailed knowledge of the spatial and temporal infiltration of reagents designed to remove and separate the phenylpropenoid heteropolymer (lignin) from the processable sugar components sequestered in the rigid cell walls of plants. A detailed chemical and structural understanding of this pre-enzymatic processing in space and time was the focus of this program. We worked to develop new imaging strategies that produce real-time molecular speciation information in situ; extract sub-surface information about the effects of processing; and follow the spatial and temporal characteristics of the molecular species in the matrix and correlate this complex profile with saccharification. Spatially correlated SIMS and Raman imaging were used to provide high quality, high resolution subcellular images of Miscanthus cross sections. Furthermore, the combination of information from the mass spectrometry and Raman scattering allows specific chemical assignments of observed structures, difficult to assign from either imaging approach alone and lays the foundation for subsequent heterocorrelated imaging experiments targeted at more challenging biological systems, such as the interacting plant-microbe systems relevant to the rhizosphere.

09 BIOMASS FUELS↗
DOE OSTI2011

Challenges in Modeling the Degradation of Ceramic Waste Forms

We identify the state of the art, gaps in current understanding, and key research needs in the area of modeling the long-term degradation of ceramic waste forms for nuclear waste disposition. The directed purpose of this report is to define a roadmap for Waste IPSC needs to extend capabilities of waste degradation to ceramic waste forms, which overlaps with the needs of the subconsinuum scale of FMM interests. The key knowledge gaps are in the areas of (i) methodology for developing reliable interatomic potentials to model the complex atomic-level interactions in waste forms; (ii) characterization of water interactions at ceramic surfaces and interfaces; and (iii) extension of atomic-level insights to the long time and distance scales relevant to the problem of actinide and fission product immobilization.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2012

Twenty-Five Year Site Plan, FY2013 - FY2037

Los Alamos National Laboratory (the Laboratory) is the nation's premier national security science laboratory. Its mission is to develop and apply science and technology to ensure the safety, security, and reliability of the United States (U.S.) nuclear stockpile; reduce the threat of weapons of mass destruction, proliferation, and terrorism; and solve national problems in defense, energy, and the environment. The fiscal year (FY) 2013-2037 Twenty-Five Year Site Plan (TYSP) is a vital component for planning to meet the National Nuclear Security Administration (NNSA) commitment to ensure the U.S. has a safe, secure, and reliable nuclear deterrent. The Laboratory also uses the TYSP as an integrated planning tool to guide development of an efficient and responsive infrastructure that effectively supports the Laboratory's missions and workforce. Emphasizing the Laboratory's core capabilities, this TYSP reflects the Laboratory's role as a prominent contributor to NNSA missions through its programs and campaigns. The Laboratory is aligned with Nuclear Security Enterprise (NSE) modernization activities outlined in the NNSA Strategic Plan (May 2011) which include: (1) ensuring laboratory plutonium space effectively supports pit manufacturing and enterprise-wide special nuclear materials consolidation; (2) constructing the Chemistry and Metallurgy Research Replacement Nuclear Facility (CMRR-NF); (3) establishing shared user facilities to more cost effectively manage high-value, experimental, computational and production capabilities; and (4) modernizing enduring facilities while reducing the excess facility footprint. Th is TYSP is viewed by the Laboratory as a vital planning tool to develop an effi cient and responsive infrastructure. Long range facility and infrastructure development planning are critical to assure sustainment and modernization. Out-year re-investment is essential for sustaining existing facilities, and will be re-evaluated on an annual basis. At the same time, major modernization projects will require new line-item funding. This document is, in essence, a roadmap that defines a path forward for the Laboratory to modernize, streamline, consolidate, and sustain its infrastructure to meet its national security mission.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗
DOE OSTI2011

E85 Optimized Engine

A 5.0L V8 twin-turbocharged direct injection engine was designed, built, and tested for the purpose of assessing the fuel economy and performance in the F-Series pickup of the Dual Fuel engine concept and of an E85 optimized FFV engine. Additionally, production 3.5L gasoline turbocharged direct injection (GTDI) EcoBoost engines were converted to Dual Fuel capability and used to evaluate the cold start emissions and fuel system robustness of the Dual Fuel engine concept. Project objectives were: to develop a roadmap to demonstrate a minimized fuel economy penalty for an F-Series FFV truck with a highly boosted, high compression ratio spark ignition engine optimized to run with ethanol fuel blends up to E85; to reduce FTP 75 energy consumption by 15% - 20% compared to an equally powered vehicle with a current production gasoline engine; and to meet ULEV emissions, with a stretch target of ULEV II / Tier II Bin 4. All project objectives were met or exceeded.

33 ADVANCED PROPULSION SYSTEMS↗
DOE OSTI2012

Integration of block-copolymer with nano-imprint lithography: pushing the boundaries of emerging nano-patterning technology

The extreme nanoscale features prescribed by the International Technology Roadmap for Semiconductors (ITRS, e.g., 11nm half-pitch for dense patterns and 4.5nm critical dimensions by 2022) require infrastructure-heavy extreme ultraviolet (EUV) and/or alternative lithography approaches. We report here our efforts to direct the self assembly of block copolymers (BCP) into device-oriented patterns initially defined by optical interference lithography (IL), and the use of self-assembled BCP patterns as masks to create nanoimprint lithography (NIL) masters via plasma etching. This project reported the first self-assembly of regular sub-20nm features directed by large-area patterns defined by interference lithography with up to 4x density multiplication. Simulation coupled with experimental verification explored critical parameters driving the complex three-dimensional configurations arising from surface interactions during directed self-assembly. NIL of BCP-defined features and patterns was demonstrated as a route to simple plasmonic structures with enhanced optical response. Finally, a non-destructive metrology framework was developed and demonstrated.

Burckel, David Bruce↗
DOE OSTI2012

Technology and Manufacturing Readiness of Early Market Motive and Non-Motive Hydrogen Storage Technologies for Fuel Cell Applications

PNNL’s objective in this report is to provide DOE with a technology and manufacturing readiness assessment to identify hydrogen storage technologies’ maturity levels for early market motive and non-motive applications and to provide a path forward toward commercialization. PNNL’s Technology Readiness Assessment (TRA) is based on a combination of Technology Readiness Level (TRL) and Manufacturing Readiness Level (MRL) designations that enable evaluation of hydrogen storage technologies in varying levels of development. This approach provides a logical methodology and roadmap to enable the identification of hydrogen storage technologies, their advantages/disadvantages, gaps and R&D needs on an unbiased and transparent scale that is easily communicated to interagency partners. The TRA report documents the process used to conduct the TRA, reports the TRL and MRL for each assessed technology and provides recommendations based on the findings.

08 HYDROGEN↗
DOE OSTI2012

Site Sustainability Plan (SSP) with FY2012 Performance Data

Oak Ridge National Laboratory (ORNL) is both the largest science and energy laboratory of the Department of Energy (DOE) and one of the oldest national laboratories still operating at its original site. These characteristics provide a unique opportunity to integrate sustainability into our facilities and activities. As a leading performer of clean energy research and development (R&D), ORNL delivers advances in energy efficiency, renewable energy, and environmentally sound and cutting-edge technology and practices. ORNL is committed to accelerating the deployment of these advances in support of DOE’s goal of catalyzing the timely, material, and efficient transformation of the nation’s energy system and securing US leadership in clean energy technologies. A comprehensive modernization effort, undertaken to provide ORNL with a 21 st century research environment, provided the starting point for the Sustainable Campus Initiative, a 10-year effort to achieve benchmark levels of sustainability across ORNL. This aggressive campaign will continue the transformation of ORNL’s physical environment and enable us to meet DOE goals for energy management and environmental performance. As outlined in this report, the Sustainable Campus Initiative is leveraging the outcomes of our DOE-sponsored R&D programs to maximize the efficient use of energy and natural resources across ORNL. Wherever possible, ORNL is integrating technical innovations into new and existing facilities, systems, and processes. We continue to pursue and deploy innovative solutions and initiatives to advance regional, national, and worldwide sustainability. We are also taking actions to transform ORNL’s culture and engage employees in supporting sustainability at work, at home, and in the community. In its current structure, ORNL’s Sustainable Campus Initiative consists of 26 unique projects or roadmaps, ranging from foundational methods to transformational technologies as represented in Figure 1.

Nichols, Teresa A.↗
DOE OSTI2012

Advanced Fuels Campaign 2012 Accomplishments

The Advanced Fuels Campaign (AFC) under the Fuel Cycle Research and Development (FCRD) program is responsible for developing fuels technologies to support the various fuel cycle options defined in the DOE Nuclear Energy Research and Development Roadmap, Report to Congress, April 2010. The fiscal year 2012 (FY 2012) accomplishments are highlighted below. Kemal Pasamehmetoglu is the National Technical Director for AFC.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Using Third-Party Inspectors in Building Energy Codes Enforcement in India

India is experiencing fast income growth and urbanization, and this leads to unprecedented increases in demand for building energy services and resulting energy consumption. In response to rapid growth in building energy use, the Government of India issued the Energy Conservation Building Code (ECBC) in 2007, which is consistent with and based on the 2001 Energy Conservation Act. ECBC implementation has been voluntary since its enactment and a few states have started to make progress towards mandatory implementation. Rajasthan is the first state in India to adopt ECBC as a mandatory code. The State adopted ECBC with minor additions on March 28, 2011 through a stakeholder process; it became mandatory in Rajasthan on September 28, 2011. Tamil Nadu, Gujarat, and Andhra Pradesh have started to draft an implementation roadmap and build capacity for its implementation. The Bureau of Energy Efficiency (BEE) plans to encourage more states to adopt ECBC in the near future, including Haryana, Uttar Pradesh, Karnataka, Maharashtra, West Bengal, and Delhi. Since its inception, India has applied the code on a voluntary basis, but the Government of India is developing a strategy to mandate compliance. Implementing ECBC requires coordination between the Ministry of Power and the Ministry of Urban Development at the national level as well as interdepartmental coordination at the state level. One challenge is that the Urban Local Bodies (ULBs), the enforcement entities of building by-laws, lack capacity to implement ECBC effectively. For example, ULBs in some states might find the building permitting procedures to be too complex; in other cases, lack of awareness and technical knowledge on ECBC slows down the amendment of local building by-laws as well as ECBC implementation. The intent of this white paper is to share with Indian decision-makers code enforcement approaches: through code officials, third-party inspectors, or a hybrid approach. Given the limited capacity and human resources available in the state and local governments, involving third-party inspectors could rapidly expand the capacity for plan reviews and broad implementation. However, the procedures of involving third-parties need to be carefully designed in order to guarantee a fair process. For example, there should be multiple checks and certification requirements for third-party inspectors, and the government should have the final approval when third-party inspectors are used in a project. This paper discusses different approaches of involving third-parties in ECBC enforcement; the Indian states may choose the approaches that work best in their given circumstances.

Yu, Sha↗
DOE OSTI2013

Final Scientific/Technical Report "Arc Tube Coating System for Color Consistency"

DOE has enabled the use of coating materials using low cost application methods on light sources to positively affect the output of those sources. The coatings and light source combinations have shown increased lumen output of LED fixtures (1.5%-2.0%), LED arrays (1.4%) and LED powered remote phosphor systems Philips L-Prize lamp (0.9%). We have also demonstrated lifetime enhancements (3000 hrs vs 8000 hrs) and shifting to higher CRI (51 to 65) in metal halide high intensity discharge lamps with metal oxide coatings. The coatings on LEDs and LED products are significant as the market is moving increasingly more towards LED technology. Enhancements in LED performance are demonstrated in this work through the use of available materials and low cost application processes. EFOI used low refractive index fluoropolymers and low cost dipping processes for application of the material to surfaces related to light transmission of LEDs and LED products. Materials included Teflon AF, an amorphous fluorinated polymer and fluorinated acrylic monomers. The DOE SSL Roadmap sets goals for LED performance moving into the future. EFOI's coating technology is a means to shift the performance curve for LEDs. This is not limited to one type of LED, but is relevant across LED technologies. The metal halide work included the use of sol-gel solutions resulting in silicon dioxide and titanium dioxide coatings on the quartz substrates of the metal halide arc tubes. The coatings were applied using low cost dipping processes.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2013

Simulant Development for Hanford Tank Farms Double Valve Isolation (DVI) Valves Testing

Leakage testing of a representative sample of the safety-significant isolation valves for Double Valve Isolation (DVI) in an environment that simulates the abrasive characteristics of the Hanford Tank Farms Waste Transfer System during waste feed delivery to the Waste Treatment and Immobilization Plant (WTP) is to be conducted. The testing will consist of periodic leak performed on the DVI valves after prescribed numbers of valve cycles (open and close) in a simulated environment representative of the abrasive properties of the waste and the Waste Transfer System. The valve operations include exposure to cycling conditions that include gravity drain and flush operation following slurry transfer. The simulant test will establish the performance characteristics and verify compliance with the Documented Safety Analysis. Proper simulant development is essential to ensure that the critical process streams characteristics are represented, National Research Council report “Advice on the Department of Energy's Cleanup Technology Roadmap: Gaps and Bridges”

DVI Simulant↗
DOE OSTI2013

Separations and Waste Forms Research and Development: FY 2012 Accomplishments Report

The Separations and Waste Form Campaign (SWFC) under the U.S. Department of Energy (DOE) Fuel Cycle Research and Development Program (FCRD) is responsible for developing advanced separation and waste form technologies to support the various fuel cycle options defined in the DOE Nuclear Energy Research and Development Roadmap, Report to Congress, April 2010. The fiscal year (FY) 2012 accomplishments report highlights the results of the research and development (R&D) efforts performed within SWFC in FY 2012. Each section contains a high level overview of the activities, results, technical point of contact and applicable references. This report briefly outlines campaign management and integration activities, but the intent of the report is to highlight the many technical accomplishments made during FY 2012. The campaign continued to maintain a balanced effort between scientific investigations to underpin advanced separations and waste forms technologies and engineering advancement to maintain relevance and focus on implementable technologies. There was an increased focus on development of new tools and methods to develop a better fundamental understanding of separation processes and waste form behavior and this effort is closely tied to modeling and simulation activities.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Recovery Act: Novel Kerf-Free PV Wafering that provides a low-cost approach to generate wafers from 150um to 50um in thickness

The technical paper summarizes the project work conducted in the development of Kerf-Free silicon wafering equipment for silicon solar wafering. This new PolyMax technology uses a two step process of implantation and cleaving to exfoliate 50um to 120um wafers with thicknesses ranging from 50um to 120um from a 125mm or 156mm pseudo-squared silicon ingot. No kerf is generated using this method of wafering. This method of wafering contrasts with the current method of making silicon solar wafers using the industry standard wire saw equipment. The report summarizes the activity conducted by Silicon Genesis Corporation in working to develop this technology further and to define the roadmap specifications for the first commercial proto-type equipment for high volume solar wafer manufacturing using the PolyMax technology.

14 SOLAR ENERGY↗
DOE OSTI2013

Development of an Initial Model of Human-Automatio

The U.S. Department of Energy (DOE) and the commercial nuclear power industry are exploring alternatives to meet energy demands in the United States. As part of this mission, they are looking at small modular reactors (SMRs) and advanced small modular reactors (aSMRs). The DOE, and in particular, the Office of Nuclear Energy (NE) is sponsoring research and development (R&D) on small reactors, as evidenced by NE’s 2010 Report to Congress, Nuclear Energy Research and Development Roadmap. In short, DOE-NE’s mission is to assist in revitalization of the U.S. nuclear industry, including development of advanced designs, through R&D. By doing so, NE can help accelerate deployment of new plants in the short term, support development of advanced concepts for the medium term, and promote design of revolutionary systems for the long term.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗