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DOE OSTI2013

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↗

DOE OSTI2013

Impact of Wind and Solar on the Value of Energy Storage

This analysis evaluates how the value of energy storage changes when adding variable generation (VG) renewable energy resources to the grid. A series of VG energy penetration scenarios from 16% to 55% were generated for a utility system in the western United States. This operational value of storage (measured by its ability to reduce system production costs) was estimated in each VG scenario, considering provision of different services and with several sensitivities to fuel price and generation mix. Overall, the results found that the presence of VG increases the value of energy storage by lowering off-peak energy prices more than on-peak prices, leading to a greater opportunity to arbitrage this price difference. However, significant charging from renewables, and consequently a net reduction in carbon emissions, did not occur until VG penetration was in the range of 40%-50%. Increased penetration of VG also increases the potential value of storage when providing reserves, mainly by increasing the amount of reserves required by the system. Despite this increase in value, storage may face challenges in capturing the full benefits it provides. Due to suppression of on-/off-peak price differentials, reserve prices, and incomplete capture of certain system benefits (such as the cost of power plant starts), the revenue obtained by storage in a market setting appears to be substantially less than the net benefit (reduction in production costs) provided to the system. Furthermore, it is unclear how storage will actually incentivize large-scale deployment of renewables needed to substantially increase VG penetration. This demonstrates some of the additional challenges for storage deployed in restructured energy markets.

14 SOLAR ENERGY↗

DOE OSTI2010

Advanced Simulation and Computing Fiscal Year 2011-2012 Implementation Plan, Revision 0.5

The Stockpile Stewardship Program (SSP) is a single, highly integrated technical program for maintaining the surety and reliability of the U.S. nuclear stockpile. The SSP uses past nuclear test data along with current and future non-nuclear test data, computational modeling and simulation, and experimental facilities to advance understanding of nuclear weapons. It includes stockpile surveillance, experimental research, development and engineering (D&E) programs, and an appropriately scaled production capability to support stockpile requirements. This integrated national program requires the continued use of current facilities and programs along with new experimental facilities and computational enhancements to support these programs. The Advanced Simulation and Computing Program (ASC) is a cornerstone of the SSP, providing simulation capabilities and computational resources to support the annual stockpile assessment and certification, to study advanced nuclear weapons design and manufacturing processes, to analyze accident scenarios and weapons aging, and to provide the tools to enable stockpile Life Extension Programs (LEPs) and the resolution of Significant Finding Investigations (SFIs). This requires a balanced resource, including technical staff, hardware, simulation software, and computer science solutions. In its first decade, the ASC strategy focused on demonstrating simulation capabilities of unprecedented scale in three spatial dimensions. In its second decade, ASC is focused on increasing its predictive capabilities in a three-dimensional (3D) simulation environment while maintaining support to the SSP. The program continues to improve its unique tools for solving progressively more difficult stockpile problems (focused on sufficient resolution, dimensionality, and scientific details); to quantify critical margins and uncertainties; and to resolve increasingly difficult analyses needed for the SSP. Moreover, ASC has restructured its business model from one that was very successful in delivering an initial capability to one that is integrated and focused on requirementsdriven products that address long-standing technical questions related to enhanced predictive capability in the simulation tools.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

DOE OSTI2013

High speed, multi-channel, user programmable digital data acquisition system.

As applications for radiation detection become more demanding, and in turn improvements are made in the technology of radiation detection, there is a need for high speed digital detector readout electronics matching these improvements. Specifically, full control over the on-line processing resources of modern digital electronics is desirable so that researchers can develop custom algorithms for special applications.In the proposed effort, the 500 MHz digital readout electronics previously developed by our company will be redesigned to allow user access to the on-line processing resources. In Phase I, the division of online processing into vendor and user firmware sections has been studied on existing hardware. In Phase II, the hardware will be upgraded to better facilitate the division, and the firmware will be restructured into a robust vendor logic block (providing standard functions such as host I/O, on-board memory I/O, energy computation, MCA spectra, timestamps, waveform capture, run statistics, and triggering and timing) and a user logic block for custom algorithms (with templates and examples for frequently used functions). Investigating several options to divide online processing, it was determined that the most promising approach is to “partition” a single FPGA integrated circuit into a vendor and user section, which is supported in newer devices. The analog front end of the existing electronics proved suitable for most applications, in particular high rate measurements with germanium detectors. The design architecture for new electronics was developed, combining one of the new FPGA device with the analog front end.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

DOE OSTI2010

LLNL Preliminary Assessment of CPUC EM&V Program

At the request of Commissioner Dian Grueneich, Lawrence Livermore National Laboratory (LLNL) has reviewed the Evaluation, Measurement and Validation (EM&V) practices of the California Public Utility Commission (CPUC) Energy Efficiency (EE) Program. LLNL's examination was performed through reviews of documents written by the CPUC, namely decisions, rulings, and Energy Division staff reports, as well as other reports written by experts in energy efficiency. This document outlines our general findings from our preliminary investigation. We have identified and consolidated the intrinsic problems and issues that currently reside in the EM&V and RRIM mechanisms. The next step in our involvement would be to assist the CPUC in restructuring the program to enhance the overall value to the State.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2014

Energy Efficiency and Conservation Block Grant (EECBG)- Better Buildings Neighborhood Program Final Report

The original BetterBuildings for Greensboro grant program included an outreach campaign to inform 100% of the Greensboro community about the benefits of reducing energy use; a plan to reduce energy consumption in at least 34% of the homes and 10% of the other buildings in the east Greensboro target area; and a plan to create and retain jobs in the energy conservation industry. Under the original program structure the City of Greensboro planned to partner with local and regional lenders to create a diversified portfolio of loan products to meet the needs of various income levels and building types. All participants would participate in the loan programs as a method of meeting the program’s 5 to1 private capital match/leverage requirements. In June 2011 the program was restructured to include partnerships with large commercial and multifamily projects, with these partners providing the greater portion of the required match/leverage. The geographic focus was revised to include reducing energy consumption across the entire City of Greensboro, targeting neighborhoods with high concentrations of low-moderate income households and aged housing stock. The community outreach component used a neighborhood-based approach to train community residents and volunteers to conduct door-to-door neighborhood sweeps; delivered high quality information on available program resources; helped residents to evaluate alternative energy efficiency measures and alternative financing sources; assisted with contractor selections and monitoring/evaluation of work; coordinated activities with BetterBuildings program partners; and collected data required by the Department of Energy. Additionally, HERO (Home Energy Response Officers) delivered intro packages (energy efficiency information and products) to thousands of households at the initial point of contact. A pilot program (Early Adopters) was offered from March 1, 2011 through June 30, 2011. The Early Adopters program was designed to offer immediate assistance to property owners ready and able to make their homes more energy efficient, by offering a rebate on their energy assessment and on the cost of upgrades installed. Eligible energy efficient upgrades were inclusive of basic level insulating and weather-stripping, HVAC system and water heater upgrades, to whole home upgrades that include the replacement of windows, doors and appliances. Renewable energy systems such as solar hot water systems were also eligible for the rebate program.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

DOE OSTI2015

Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR)

Isotopic Studies of O-O Bond Formation During Water Oxidation (SISGR) Research during the project period focused primarily on mechanisms of water oxidation by structurally defined transition metal complexes. Competitive oxygen isotope fractionation of water, mediated by oxidized precursors or reduced catalysts together with ceric, Ce(IV), ammonium nitrate in aqueous media, afforded oxygen-18 kinetic isotope effects (O-18 KIEs). Measurement, calculation, and interpretation of O-18 KIEs, described in the accompanying report has important ramifications for the production of electricity and solar hydrogen (as fuel). The catalysis division of BES has acknowledged that understanding mechanisms of transition metal catalyzed water oxidation has major ramifications, potentially leading to transformation of the global economy and natural environment in years to come. Yet, because of program restructuring and decreased availability of funds, it was recommended that the Solar Photochemistry sub-division of BES would be a more appropriate parent program for support of continued research.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2014

Solid Oxide Fuel Cells Operating on Alternative and Renewable Fuels

This DOE project at the Pennsylvania State University (Penn State) initially involved Siemens Energy, Inc. to (1) develop new fuel processing approaches for using selected alternative and renewable fuels – anaerobic digester gas (ADG) and commercial diesel fuel (with 15 ppm sulfur) – in solid oxide fuel cell (SOFC) power generation systems; and (2) conduct integrated fuel processor – SOFC system tests to evaluate the performance of the fuel processors and overall systems. Siemens Energy Inc. was to provide SOFC system to Penn State for testing. The Siemens work was carried out at Siemens Energy Inc. in Pittsburgh, PA. The unexpected restructuring in Siemens organization, however, led to the elimination of the Siemens Stationary Fuel Cell Division within the company. Unfortunately, this led to the Siemens subcontract with Penn State ending on September 23rd, 2010. SOFC system was never delivered to Penn State. With the assistance of NETL project manager, the Penn State team has since developed a collaborative research with Delphi as the new subcontractor and this work involved the testing of a stack of planar solid oxide fuel cells from Delphi.

30 DIRECT ENERGY CONVERSION↗

DOE OSTI2015

SISGR - Hydrogen Caged in Carbon-Exploration of Novel Carbon-Hydrogen Interactions

Hydrogen trapped in a carbon cage, captured through repulsive interactions, is a novel concept in hydrogen storage. Trapping hydrogen via repulsive interactions borrows an idea from macroscale hydrogen storage (i.e. compressed gas storage tanks) and reapplies these concepts on the nanoscale in specially designed molecular containers. Under extreme conditions of pressure, hydrogen solubility in carbon materials is expected to increase and carbon is expected to restructure to minimize volume via a mixed sp2/sp3 hydrogenated state. Thermodynamics dictate that pre-formed C-H structures will rearrange with increased pressure, yet the final carbon-hydrogen interactions may be dependent upon the mechanism by which hydrogen is introduced. Gas “trapping” is meant to denote gas present in a solid in a high density, adsorbed-like state, when the external pressure is much less than that necessary to provide a comparable fluid density. Trapping thus denotes a kinetically metastable state rather than thermodynamic equilibrium. This project probed mechanochemical means to polymerize select hydrocarbons in the presence of gases, in an attempt to form localized carbon cages that trap gases via repulsive interactions. Aromatic, polyaromatic, and hydroaromatic molecules expected to undergo cyclo-addition reactions were polymerized at high (~GPa) pressures to form extended hydrogenated amorphous carbon networks. Notably, aromatics with a pre-existing internal free volume (such as Triptycene) appeared to retain an internal porosity upon application of pressure. However, a high photoluminescence background after polymerization precluded in situ identification of trapped gases. No spectroscopic evidence was found after depressurization that would be indicative of pockets of trapped gases in a localized high-pressure environment. Control studies suggested this measurement may be insensitive to gases at low pressure. Similarly, no spectral fingerprint was found for gas-imbued spherical carbon nanoshells, even after chemical “capping” of the gas-imbued nanoshells to limit gas diffusivity. Subsequently, spectral probes of gas vibrational modes adsorbed in various carbon nanostructures (including activated carbons, single-wall carbon nanotubes, polymers of intrinsic microporosity (PIMs), and UV-irradiated PIMs with decreased pore size) were found only at high pressure. The vibrational mode of the adsorbed film became perturbed in high density films, and the perturbation was sensitive to surface functional groups, pore size, and pore dimension. Experimental results were corroborated with first-principle modeling using density functional theory. Development of semi-empirical correlations that relate the spectral features to pore dimension, geometry, and chemical potential of the adsorbed film are on-going.

08 HYDROGEN↗

DOE OSTI2015

Distribution Systems in a High Distributed Energy Resources Future

The provision of electricity in the United States is undergoing significant changes for a number of reasons. The implications are unclear. The current level of discussion and debate surrounding these changes is similar in scale to the discussion and debate in the 1990s on the then-major issue of electric industry restructuring, both at the wholesale and retail level. While today’s issues are different, the scale of the discussion, the potential for major changes, and the lack of clarity on implications are common to both time periods. The U.S. Department of Energy (DOE) played a useful role during the 1990s’ discussion and debate by sponsoring a series of papers that illuminated and dug deeper on a variety of issues being discussed at that time. Topics and authors were selected to showcase diverse positions on the issues, with the aim to better inform the ongoing discussion and debate, without driving an outcome.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2015

Year End Progress Report on Rattlesnake Improvements

Rattlesnake is a MOOSE-based radiation transport application developed at INL to support modern multi-physics simulations. At the beginning of the last year, Rattlesnake was able to perform steady-state, transient and eigenvalue calculations for the multigroup radiation transport equations. Various discretization schemes, including continuous finite element method (FEM) with discrete ordinates method (SN) and spherical harmonics expansion method (PN) for the self-adjoint angular flux (SAAF) formulation, continuous FEM (CFEM) with SN for the least square (LS) formulation, diffusion approximation with CFEM and discontinuous FEM (DFEM), have been implemented. A separate toolkit, YAKXS, for multigroup cross section management was developed to support Rattlesnake calculations with feedback both from changes in the field variables, such as fuel temperature, coolant density, and etc., and in isotope inventory. The framework for doing nonlinear diffusion acceleration (NDA) within Rattlesnake has been set up, and both NDA calculations with SAAF-SN-CFEM scheme and Monte Carlo with OpenMC have been performed. It was also used for coupling BISON and RELAP-7 for the full-core multiphysics simulations. Within the last fiscal year, significant improvements have been made in Rattlesnake. Rattlesnake development was migrated into our internal GITLAB development environment at the end of year 2014. Since then total 369 merge requests has been accepted into Rattlesnake. It is noted that the MOOSE framework that Rattlesnake is based on is under continuous developments. Improvements made in MOOSE can improve the Rattlesnake. It is acknowledged that MOOSE developers spent efforts on patching Rattlesnake for the improvements made on the framework side. This report will not cover the code restructuring for better readability and modularity and documentation improvements, which we have spent tremendous effort on. It only details some of improvements in the following sections.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2015

A Survey of State and Local PV Program Response to Financial Innovation and Disparate Federal Tax Treatment in the Residential PV Sector

High up-front costs and a lack of financing options have historically been the primary barriers to the adoption of photovoltaics (PV) in the residential sector. State clean energy funds, which emerged in a number of states from the restructuring of the electricity industry in the mid-to-late 1990s, have for many years attempted to overcome these barriers through PV rebate and, in some cases, loan programs. While these programs (rebate programs in particular) have been popular, the residential PV market in the United States only started to achieve significant scale in the last five years – driven in large part by an initial wave of financial innovation that led to the rise of third-party ownership.

14 SOLAR ENERGY↗

DOE OSTI2015

Advanced Code for Photocathode Design

The Phase I activity demonstrated that PhotoQE could be upgraded and modified to allow input using a graphical user interface. Specific calls to platform-dependent (e.g. IMSL) function calls were removed, and Fortran77 components were rewritten for Fortran95 compliance. The subroutines, specifically the common block structures and shared data parameters, were reworked to allow the GUI to update material parameter data, and the system was targeted for desktop personal computer operation. The new structures overcomes the previous rigid and unmodifiable library structures by implementing new, materials library data sets and repositioning the library values to external files. Material data may originate from published literature or experimental measurements. Further optimization and restructuring would allow custom and specific emission models for beam codes that rely on parameterized photoemission algorithms. These would be based on simplified and parametric representations updated and extended from previous versions (e.g., Modified Fowler-Dubridge, Modified Three-Step, etc.).

43 PARTICLE ACCELERATORS↗

DOE OSTI2012

Integrated Data Collection Analysis (IDCA) Program — IDCA Quarterly Program Review, September 14 and 15, 2010

The IDCA conducted a program review at Los Alamos National Laboratory, September 14 and 15, 2010. The review was divided into three parts: 1) an update on the current status of the program, 2) an information exchange and discussion on technical details for current issues and future planning, and 3) a tour of the SSST testing facilities at LANL. The meeting started with an update from DHS by Laura Parker and a restating of some of the objectives of the Proficiency Test of which the IDCA is currently engaged. This update was followed by a discussion of some high level programmatic issues particularly about ways of communicating the overall goals of the IDCA to non-technical representatives. The final topic focused on the difficulty of releasing information, including the DHS approval process, ITAR, and open publication. Next JGR presented a technical summary of accomplishments, schedule, milestones, and future directions. These key points made were: 1) about 1/3 of the materials have been tested, 2) some participants are behind others causing a lag in report writing, 3) method reports have been assigned to various participants to speed up the process of reporting, 4) the SSST Compendium needs reformatting and restructuring, and 5) the Compendium needs a web site to house with access control. After the technical update, some of the Proficiency Test results were shown comparing data from the various laboratories. These results included comparisons of the RDX standard, KC/sugar mixtures (-100 mesh and as received), KC/dodecane, KP/Al, and KP/C. Impact, friction, ESD, and DSC results were the focus. All the participants were involved in these discussions. This report includes summary notes, presentations, and explanatory information.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2013

Supply Chain and Blade Manufacturing Considerations in the Global Wind Industry

Over the past decade, significant wind manufacturing capacity has been built in the United States in response to an increasingly large domestic market. Recent U.S. manufacturing production levels exceed anticipated near-term domestic demand for select parts of the supply chain, in part due to policy uncertainty, and this is resulting in some restructuring in the industry. Factor location decisions are influenced by a combination of quantitative and qualitative factors; proximity to end-markets is often a key consideration, especially for manufacturers of large wind turbine components. Technology advancements in the wind sector are continuing, and larger blade designs are being pursued in the market, which may increase U.S.-based manufacturing opportunities.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2013

Status and Trends in the U.S. Voluntary Green Power Market (2012 Data)

The "voluntary" or "green power" market is that in which consumers and institutions voluntarily purchase renewable energy to match all or part of their electricity needs. Voluntary action provides a revenue stream for renewable energy projects and raises consumer awareness of the benefits of renewable energy. There are numerous ways consumers and institutions can purchase renewable energy. Historically, the voluntary market has consisted of three market sectors: (1) utility green pricing programs (in states with regulated electricity markets), (2) competitive suppliers (in states with restructured electricity markets), and (3) unbundled renewable electricity certificate (REC) markets, where RECs are purchased by consumers separately from electricity ("unbundled").

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2011

Status and Trends in U.S. Compliance and Voluntary Renewable Energy Certificate Markets (2010 Data)

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

DOE OSTI2016

Recovery of Utility Fixed Costs: Utility, Consumer, Environmental and Economist Perspectives

Utilities recover costs for providing electric service to retail customers through a combination of rate components that together comprise customers’ monthly electric bills. Rates and rate designs are set by state regulators and vary by jurisdiction, utility and customer class. In addition to the fundamental tenet of setting fair and reasonable rates, rate design balances economic efficiency, equity and fairness, customer satisfaction, utility revenue stability, and customer price and bill stability. At the most basic level, retail electricity bills in the United States typically include a fixed monthly customer charge — a set dollar amount regardless of energy usage — and a volumetric energy charge for each kilowatt-hour consumed. The energy charge may be flat across all hours, vary by usage level (for example, higher rates at higher levels of usage), or vary based on time of consumption. While some utility costs, such as fuel costs, clearly vary according to electricity usage, other costs are “fixed” over the short run — generally, those that do not vary over the course of a year. Depending on your point of view, and whether the state’s electricity industry has been restructured or remains vertically integrated, the set of costs that are “fixed” may be quite limited. Or the set may extend to all capacity costs for generation, transmission and distribution. In the long run, all costs are variable. In the context of flat or declining loads in some regions, utilities are proposing a variety of changes to retail rate designs, particularly for residential customers, to recover fixed costs. In this report, authors representing utility (Chapter 1), consumer (Chapter 2), environmentalist (Chapter 3) and economist (Chapter 4) perspectives discuss fixed costs for electric utilities and set out their principles for recovering those costs. The table on the next page summarizes each author’s relative preferences for various options for fixed cost recovery, some of which may be used in combination. The specific design of any ratemaking option matters crucially, so a general preference for a given option does not indicate support for any particular application.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗