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DOE OSTI2013

Porflow Modeling Supporting the FY13 Saltstone Special Analysis

PORFLOW modeling supporting the concurrent Saltstone FY13 Special Analysis (SA) is described in this report. The present simulations are based on the 2009 Performance Assessment and subsequent modeling to support a response to NRC Request for Additional Information PA-8. Notable changes to the baseline PA-8 model include revised degradation of cementitious materials and associated hydraulic properties, inclusion of floor joints and roof support columns in model representations, and a revised Tc-99 shrinking-core model to implement combined redox and solubility controls. Also presented are new and further justifications for key model assumptions, and verification test cases for selected model attributes. Results are presented for the nominal value simulation case, a flow sensitivity parametric study, and Tc-99 transport sensitivity cases. Further discussion of PORFLOW model setup and simulation results is presented in the Saltstone FY13 SA, including dose results.

Cementitious Materials↗

DOE OSTI2014

Student Support for EIPBN 2014 Conference - Final Report

The 58th International Conference on Electron, Ion and Photon Beam Technology and Nanofabrication (EIPBN), 2014, was held at the Omni Shoreham Hotel in Washington, DC, May 27 to 30, 2014. The EIPBN Conference is recognized as the foremost international meeting dedicated to lithographic science and technology and its application to micro and nanofabrication techniques. The conference brought together 386 engineers and scientists from industries and universities from all over the world to discuss recent progress and future trends. Among the emerging technologies that are within the scope of EIPBN is Nanofabrication for Energy Sources along with nanofabrication for the realization of low power integrated circuits. Every year, EIPBN provides financial support for students to attend the conference. Travel support for 43 students came from a mixture of government agencies and corporate donors. The Department of Energy Office of Basic Energy Sciences provided $5,000 to support student travel from US universities to participate at EIPBN 2014 through grant DE-SC0011789.

36 MATERIALS SCIENCE↗

DOE OSTI2011

Support to DHS Chemical Detection Field Testing and Countermeasures Studies: Report to Sponsors

This document reports on work that Lawrence Berkeley National Laboratory performed to support the Department of Homeland Security's testing of ARFCAM and LACIS systems. In the sections that follow, LBNL lists the scope of work, field analyses conducted, and preliminary results. LBNL developed a model of the Port Gaston building at the Nevada Test Site and calibrated it using data from field experiments, both blower door and tracer gas tests. Model development and comparison to data show very good agreement. The model was developed to (1) support the interpretation of data from field trials performed by Signature Science LLC, (2) support the placement of sampler equipment, and (3) predict if meteorological differences between the Wet-Run/Dry-Run and the Hot-Run might adversely affect the development of the Hot Run Test Plan. LBNL reported its findings on each task to the experiment team at scheduled planning meetings. In the end, we note that the model was used limitedly because the data from the Wet-Run/Dry Run were if such high quality. Lastly, LBNL conducted a research experiment at the end of the Wet-Run/Dry-Run to study if, and to what degree, specific TICs sorb and desorb on indoor surfaces. We found that several of the TICs either sorb onto surfaces or are lost through chemical reactions. These findings may have important implications on determining sheltering-in-place concepts of operation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2014

An Update on Improvements to NiCE Support for RELAP-7

The Multiphysics Object-Oriented Simulation Environment (MOOSE) is a framework that facilitates the development of applications that rely on finite-element analysis to solve a coupled, nonlinear system of partial differential equations. RELAP-7 represents an update to the venerable RELAP-5 simulator that is built upon this framework and attempts to model the balance-of-plant concerns in a full nuclear plant. This report details the continued support and integration of RELAP-7 and the NEAMS Integrated Computational Environment (NiCE). RELAP-7 is fully supported by the NiCE due to on-going work to tightly integrate NiCE with the MOOSE framework, and subsequently the applications built upon it. NiCE development throughout the first quarter of FY15 has focused on improvements, bug fixes, and feature additions to existing MOOSE-based application support. Specifically, this report will focus on improvements to the NiCE MOOSE Model Builder, the MOOSE application job launcher, and the 3D Nuclear Plant Viewer. This report also includes a comprehensive tutorial that guides RELAP-7 users through the basic NiCE workflow: from input generation and 3D Plant modeling, to massively parallel job launch and post-simulation data visualization.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2014

Review of Inputs Provided to Jason Associates Corporation in Support of RWEV-REP-001, the Analysis of Postclosure Groundwater Impacts Report

Report RWEV-REP-001, Analysis of Postclosure Groundwater Impacts for a Geologic Repository for the Disposal of Spent Nuclear Fuel and High Level Radioactive Waste at Yucca Mountain, Nye County, Nevada was issued by the DOE in 2009 and is currently being updated. Sandia National Laboratories (SNL) provided support for the original document, performing calculations and extracting data from the Yucca Mountain Performance Assessment Model that were used as inputs to the contaminant transport and dose calculations by Jason Associates Corporation, the primary developers of the DOE report. The inputs from SNL were documented in LSA-AR-037, Inputs to Jason Associates Corporation in Support of the Postclosure Repository Supplemental Environmental Impact Statement. To support the updating of the original Groundwater Impacts document, SNL has reviewed the inputs provided in LSA-AR-037 to verify that they are current and appropriate for use. The results of that assessment are documented here.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2016

LANL Institutional Decision Support By Process Modeling and Analysis Group (AET-2)

AET-2 has expertise in process modeling, economics, business case analysis, risk assessment, Lean/Six Sigma tools, and decision analysis to provide timely decision support to LANS leading to continuous improvement. This capability is critical during the current tight budgetary environment as LANS pushes to identify potential areas of cost savings and efficiencies. An important arena is business systems and operations, where processes can impact most or all laboratory employees. Lab-wide efforts are needed to identify and eliminate inefficiencies to accomplish Director McMillan’s charge of “doing more with less.” LANS faces many critical and potentially expensive choices that require sound decision support to ensure success. AET-2 is available to provide this analysis support to expedite the decisions at hand.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2016

On the Use of Coupled Wind, Wave, and Current Fields in the Simulation of Loads on Bottom-Supported Offshore Wind Turbines during Hurricanes: March 2012 - September 2015

In the United States, potential offshore wind plant sites have been identified along the Atlantic seaboard and in the Gulf of Mexico. It is imperative that we define external conditions associated with hurricanes and severe winter storms and consider load cases for which wind turbines may need to be designed. We selected two hurricanes, Ike (2008) and Sandy (2012), and investigated the effect these tropical storms would have on bottom-supported offshore wind turbines that were hypothetically in or close to their path as they made landfall. For realistic turbine loads assessment, it is important that the coupled influences of the changing wind, wave, and current fields are simulated throughout the evolution of the hurricanes. We employed a coupled model--specifically, the University of Miami Coupled Model (UMCM)--that integrates atmospheric, wave, and ocean components to produce needed wind, wave, and current data. The wind data are used to generate appropriate vertical wind profiles and full wind velocity fields including turbulence; the current field over the water column is obtained by interpolated discrete output current data; and short-crested irregular second-order waves are simulated using output directional wave spectra from the coupled model. We studied two monopile-supported offshore wind turbines sited in 20 meters of water in the Gulf of Mexico to estimate loads during Hurricane Ike, and a jacket space-frame platform-supported offshore wind turbine sited in 50 meters of water in the mid-Atlantic region to estimate loads during Hurricane Sandy. In this report we discuss in detail how the simulated hurricane wind, wave, and current output data are used in turbine loads studies. In addition, important characteristics of the external conditions are studied, including the relative importance of swell versus wind seas, aerodynamic versus hydrodynamic forces, current velocity effects, yaw control options for the turbine, hydrodynamic drag versus inertia forces, and soil-structure interaction effects. A detailed framework is presented that explains how coupled inputs can be included in turbine loads studies during a hurricane. This framework can aid in future efforts aimed at developing offshore wind turbine design criteria and load cases related to hurricanes.

16 TIDAL AND WAVE POWER↗

DOE OSTI2016

Templating Routes to Supported Oxide Catalysts by Design

The rational design and understanding of supported oxide catalysts requires at least three advancements, in order of increasing complexity: the ability to quantify the number and nature of active sites in a catalytic material, the ability to place external controls on the number and structure of these active sites, and the ability to assemble these active sites so as to carry out more complex functions in tandem. As part of an individual investigator research program that is integrated with the Northwestern University Institute for Catalysis in Energy Processes (ICEP) as of 2015, significant advances were achieved in these three areas. First, phosphonic acids were utilized in the quantitative assessment of the number of active and geometrically-available sites in MO x -SiO 2 catalysts, including nanocrystalline composites, co-condensed materials, and grafted structures, for M=Ti, Zr, Hf, Nb, and Ta. That work built off progress in understanding supported Fe, Cu, and Co oxide catalysts from chelating and/or multinuclear precursors to maximize surface reactivity. Secondly, significant progress was made in the new area of using thin oxide overcoats containing ‘nanocavities’ from organic templates as a method to control the dispersion and thermal stability of subsequently deposited metal nanoparticles or other catalytic domains. Similar methods were used to control surface reactivity in SiO 2 -Al 2 O 3 acid catalysts and to control reactant selectivity in Al 2 O 3 -TiO 2 photocatalysts. Finally, knowledge gained from the first two areas has been combined to synthesize a tandem catalyst for hydrotreating reactions and an orthogonal tandem catalyst system where two subsequent reactions in a reaction network are independently controlled by light and heat. Overall, work carried out under this project significantly advanced the knowledge of synthesis-structure-function relationships in supported oxide catalysts for energy applications.

02 PETROLEUM↗

DOE OSTI2017

Nanotechnology Standardization Activities – Support of U.S. Representation on ISO/TC 229 Nanotechnologies

In carrying out its responsibilities on behalf of the United States, ANSI provides comprehensive, administrative support and expertise on international protocols and procedures to: (1) the U.S. Technical Advisory Group (TAG) to the International Organization for Standardization’s (ISO) Technical Committee (TC) 229 Nanotechnologies, and (2) the corresponding U.S. TAG Working Groups tasked with formulating U.S. positions on topics relevant to nanotechnology standardization. Additionally, secretariat and procedural support is provided for the ISO/TC 229 WG 3 on health, safety and environment, for which the United States was assigned leadership by the participating national body members of ISO/TC 229. As the official entity that serves as the U.S. representative to ISO, ANSI provides not only expert coordination of U.S. positions and representation at ISO but also strategic direction, advice and procedural expertise to facilitate navigation of international issues to promote U.S. positions for incorporation into the ISO/TC 229 program of work necessary to support U.S. objectives.

77 NANOSCIENCE AND NANOTECHNOLOGY↗

DOE OSTI2017

Support effects in catalysis studied by in-situ sum frequency generation vibrational spectroscopy and in-situ x-ray spectroscopies

Here, kinetic measurements are paired with in-situ spectroscopic characterization tools to investigate colloidally based, supported Pt catalytic model systems in order to elucidate the mechanisms by which metal and support work in tandem to dictate activity and selectivity. The results demonstrate oxide support materials, while inactive in absence of Pt nanoparticles, possess unique active sites for the selective conversion of gas phase molecules when paired with an active metal catalyst.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2016

University Research in Support of TREAT Modeling and Simulation, FY 2016

Idaho National Laboratory is currently evolving the modeling and simulation (M&S) capability that will enable improved core operation as well as design and analysis of TREAT experiments. This M&S capability primarily uses MAMMOTH, a reactor physics application being developed under the Multi-physics Object Oriented Simulation Environment (MOOSE) framework. MAMMOTH allows the coupling of a number of other MOOSE-based applications. In support of this research, INL is working with four universities to explore advanced solution methods that will complement or augment capabilities in MAMMOTH. This report consists of a collection of year end summaries of research from the universities performed in support of TREAT modeling and simulation. This research was led by Prof. Sedat Goluoglu at the University of Florida, Profs. Jim Morel and Jean Ragusa at Texas A&M University, Profs. Benoit Forget and Kord Smith at Massachusetts Institute of Technology, Prof. Leslie Kerby of Idaho State University and Prof. Barry Ganapol of University of Arizona. A significant number of students were supported at various levels though the projects and, for some, also as interns at INL.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2016

HySafe research priorities workshop report Summary of the workshop organized in cooperation with US DOE and supported by EC JRC in Washington DC November 10-11 2014.

The HySafe research priorities workshop is held on the even years between the International Conference on Hydrogen Safety (ICHS) which is held on the odd years. The research priorities workshop is intended to identify the state-of-the-art in understanding of the physical behavior of hydrogen and hydrogen systems with a focus on safety. Typical issues addressed include behavior of unintended hydrogen releases, transient combustion phenomena, effectiveness of mitigation measures, and hydrogen effects in materials. In the workshop critical knowledge gaps are identified. Areas of research and coordinated actions for the near and medium term are derived and prioritized from these knowledge gaps. The stimulated research helps pave the way for the rapid and safe deployment of hydrogen technologies on a global scale. To support the idea of delivering globally accepted research priorities for hydrogen safety the workshop is organized as an internationally open meeting. In attendance are stakeholders from the academic community (universities, national laboratories), funding agencies, and industry. The industry participation is critically important to ensure that the research priorities align with the current needs of the industry responsible for the deployment of hydrogen technologies. This report presents the results of the HySafe Research Priorities Workshop held in Washing- ton, D.C. on November 10-11, 2014. At the workshop the participants presented updates (since the previous workshop organized two years before in Berlin, Germany) of their research and development work on hydrogen safety. Following the workshop, participants were asked to provide feedback on high-priority topics for each of the research areas discussed and to rank research area categories and individual research topics within these categories. The research areas were ranked as follows (with the percentage of the vote in parenthesis): 1. Quantitative Risk Assessment (QRA) Tools (23%) 2. Reduced Model Tools (15%) 3. Indoor (13%) 4. Unintended Release-Liquid (11%) 5. Unintended Release-Gas (8%) 6. Storage (8%) 7. Integration Platforms (7%) 8. Hydrogen Safety Training (7%) 9. Materials Compatibility/Sensors (7%) 10. Applications (2%) The workshop participants ranked the need for Quantitative Risk Analysis (QRA) tools as the top priority by a large margin. QRA tools enable an informed expert to quantify the risk asso- ciated with a particular hydrogen system in a particular scenario. With appropriate verification and validation such tools will enable: * system designers to achieve a desired level of risk with suitable risk mitigation strategies, * permitting officials to determine if a particular system installation meets the desired risk level (performance based Regulations, Codes, and Standards (RCS) rather than prescrip- tive RCS), and * allow code developers to develop code language based on rigorous and validated physical models, statistics and standardized QRA methodologies. Another important research topic identified is the development of validated reduced physical models for use in the QRA tools. Improvement of the understanding and modeling of specific release phenomena, in particular liquid releases, are also highly ranked research topics. Acknowledgement The International Association HySafe, represented here by the authors, would like to thank all participants of the workshop for their valuable contributions. Particularly appreciated is the active participation of the industry representatives and the steady support by the European Com- mission's Joint Research Centre (JRC). Deep gratitude is owed for the great support by the United States Department of Energy (DOE) Office of Energy Efficiency and Renewable Energy's Fuel Cell Technologies Office (EERE/FCTO) for the organization of the 2014 version of the hydrogen safety research priorities workshop. This page intentionally left blank.

08 HYDROGEN↗

DOE OSTI2018

Technical & Programmatic Solutions for DPC Direct Disposal: Engineering Cost Analysis Support - Scoping

This memo describes the engineering technical and costing analysis support needed for identifying and evaluating technical and programmatic solutions for spent nuclear fuel (SNF) in dual-purpose canisters (DPCs), and the resources planned to provide that support. The Technical and Programmatic Solutions (T&PS) work scope is intended to identify and evaluate the range of feasible options available for DPC direct disposal, considering the range of DPC designs in the existing fleet and a range of generic geologic disposal concepts. It will also identify changes to the way DPCs are loaded, and/or additional hardware that could be installed in DPCs as they are loaded, to improve disposability (chiefly, post closure criticality control). These two thrusts are the focus of engineering support to the work package.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2016

Benchmark Development for TREAT Minimum Critical Mass Core Loading to Support Validation of TREAT Operations

Benchmark experiment data is necessary to validate modeling and simulation activities to support Transient Reactor Experiment Test (TREAT) Facility restart and operations. Key measurements of interest include criticality, control rod worth, excess reactivity, and shutdown margin for varying core loading sizes. Benchmark evaluations are being developed according the guidelines provided in the International Handbook of Evaluated Reactor Physics Benchmark Experiments (IRPhEP Handbook) that can also support advanced modeling and simulation activities, new experiment design for advanced reactors and accident tolerant fuel, and potential low-enriched uranium conversion of the TREAT reactor. This summary discusses development activities supporting a benchmark evaluation of the TREAT minimum critical mass core loading, which will be submitted for peer-review and publication in the IRPhEP Handbook with the identifier TREAT-FUND-RESR-001. Detailed models of TREAT were developed and evaluated to prepare benchmark models of the minimum critical mass configuration. Calculations were performed using MCNP6.1 with ENDF/B-VII.1 nuclear data libraries. Discussion of results.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Report for 2.2.1 Task 2: Provide execution support for the human factors studies conducted for the LWRS Control Room Modernization project for PVNGS

INL contracted IFE to develop custom software functionality to support INL’s use of eye movement tracking in simulator studies. This includes the support of remote eye trackers, the support of dynamic Areas of Interest based on simulator events, and a general-purpose communication protocol between a simulator and the eye tracking software. The report summarises the task deliverables, which include a requirements identification workshop at INL, a software package, and instructional videos.

99 GENERAL AND MISCELLANEOUS↗

DOE OSTI2018

Evaluation of Multi-Inverter Anti-Islanding with Grid Support and Ride-Through and Investigation of Island Detection Alternatives

As utility interconnected photovoltaic systems (PV) become integrated into the electrical power system (EPS) at an increasing rate, utilities and regulators have become concerned about the potential for increased voltage and frequency deviations as well as EPS reliability and resiliency. These concerns have initiated the need to amend the utility interconnection standard to allow advanced inverter control functionalities that provide: (1) reactive power control for voltage support, (2) real (active) power control for frequency support and (3) voltage and frequency ride- through for bulk system support. The new real and reactive power modulation are intended to reduce EPS voltage and frequency deviations by mimicking the droop and excitation controls of conventional generation. The new ride-through capabilities are needed to prevent a large quantity of generation from autonomously de-energizing or disconnecting in response to a voltage or frequency deviation. These changes, however, may have the potential to interfere with autonomous anti-islanding, especially when multiple inverters from different vendors are co-located on one bus. This report presents results from an investigation of multi-inverter autonomous anti- islanding with advanced functions, and the development of a means to mitigate adverse interaction between the two.

14 SOLAR ENERGY↗

DOE OSTI2019

Preservation of Alcator C-Mod Data and Support of ITER Research Through ITPA Participation (Final Technical Report)

This grant supported two primary activities at the MIT Plasma Science and Fusion Center. First, personnel support, hardware upgrades, and software development were used to maintain the C-Mod data archive set. This highly valuable repository contains all of the data generated from operation of the Alcator C-Mod FES User Facility, covering first operation in 1992 through completion of the final experimental campaign on Sept 30, 2016. The archive, stored using the MDSplus architecture, also includes all of the data analysis, which is ongoing, and most of the results of computer modeling of the data. Second, this grant supported activities related to participation of the C-Mod team in the International Tokamak Physics Activites (ITPA), which includes analysis of C-Mod data, in conjunction with data from tokamaks operated around the world, with intense coordination of joint experiments.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

DOE OSTI2019

Selection of glasses in support of the Sludge Batch 9 variability study for coupled operation with the Salt Waste Processing Facility

Prior to the processing of Sludge Batch 9 (SB9) with Frit 803 at the Defense Waste Processing Facility (DWPF), assessments and experimental glass work were completed to support the qualification of SB9 coupled processing with streams from the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). This previous work did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF) because the Product Composition Control System (PCCS) models limited the TiO 2 concentration in glass to 2 weight percent (wt.%). These high activity streams from SWPF include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank as well as Cs-containing strip effluent. The incorporation of these SWPF streams is expected to reach TiO2 concentrations in glass greater than 2 wt.% based on an MST addition of 0.4 g MST/L of salt solution. If double strike operation is required, then the MST addition is increased to 0.8 g MST/L of salt solution. Therefore, revisions to the models contained in PCCS were completed to allow the evaluation of glasses containing greater than 2 wt.% TiO 2 , but less than 6 wt.%. To support the implementation of the revised PCCS for SB9 – Frit 803 processing at DWPF prior to SWPF startup, the applicability of the new durability models for the SB9 variability study glasses was verified. Since the initial SB9 qualification for ARP-MCU coupled operation, additional Tank 40 analyses have been completed, which served as the basis for an updated projection of the SB9 blend composition in Tank 40. To identify a frit optimized for SB9 coupled operation with SWPF, the Savannah River National Laboratory (SRNL) performed a paper-study by utilizing Measurement Acceptance Region (MAR) assessments with DWPF PCCS. Based on these MAR assessment results, Frit 625 was recommended for processing both single and double MST strike scenarios. Savannah River Remediation (SRR) requested that SRNL perform a variability study with both Frit 803 and Frit 625 for SB9 coupled operation with SWPF. The objective of the variability study is to demonstrate that the Product Consistency Test (PCT) responses of the glasses are acceptable relative to the chemical durability of the Environmental Assessment (EA) reference glass and predictable by the current DWPF PCCS models for durability. This report documents the development of a test matrix that will support the variability study. To provide operational flexibility prior to SWPF startup, the predictability of glasses within the glass region for Frit 625-SB9 coupled operation with ARP-MCU was also confirmed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗