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This quarterly progress report was prepared under field work proposal (FWP) 40552 and covers technical work performed during the period October 1 through December 31, 2013 (FY14 1st quarter). The report highlights and documents technical progress and milestone status in tasks related to advanced cell and stack component materials development and computational design and simulation.
This document reports progress on the project “Computational Materials and Chemical Sciences Network Administration,” which is supported by DOE BES Grant DE-FG02-02ER45990 MOD 08. As stated in the original proposal, the primary goal of this project is to carry out the scientific administrative responsibilities for the Computational Materials and Chemical Sciences Network (CMCSN) of the U.S. Department of Energy, Office of Basic Energy Sciences. These responsibilities include organizing meetings, publishing and maintaining CMCSN’s website, publishing a periodic newsletter, writing original material for both the website and the newsletter, maintaining CMCSN documentation, editing scientific documents, as needed, serving as liaison for the entire Network, facilitating information exchange across the network, communicating CMCSN’s success stories to the larger community and numerous other tasks outside the purview of the scientists in the CMCSN. Given the dramatic increase in computational power, advances in computational materials science can have an enormous impact in science and technology. For many of the questions that can be addressed by computation there is a choice of theoretical techniques available, yet often there is no accepted understanding of the relative strengths and effectiveness of the competing approaches. The CMCSN fosters progress in this understanding by providing modest additional funding to research groups which engage in collaborative activities to develop, compare, and test novel computational techniques. Thus, the CMCSN provides the “glue” money which enables different groups to work together, building on their existing programs and expertise while avoiding unnecessary duplication of effort. This includes travel funding, partial postdoc salaries, and funding for periodic scientific meetings. The activities supported by this grant are briefly summarized below.
Sandia National Laboratories (SNL) has conducted an uncertainty analysis (UA) on the Fukushima Daiichi unit (1F1) accident progression with the MELCOR code. Volume I of the 1F1 UA discusses the physical modeling details and time history results of the UA. Volume II of the 1F1 UA discusses the statistical viewpoint. The model used was developed for a previous accident reconstruction investigation jointly sponsored by the US Department of Energy (DOE) and Nuclear Regulatory Commission (NRC). The goal of this work was to perform a focused evaluation of uncertainty in core damage progression behavior and its effect on key figures-ofmerit (e.g., hydrogen production, fraction of intact fuel, vessel lower head failure) and in doing so assess the applicability of traditional sensitivity analysis techniques.
This report describes the progress of the CONTAIN-LMR sodium physics and chemistry models to be implemented in to MELCOR 2.1. It also describes the progress to implement these models into CONT AIN 2 as well. In the past two years, the implementation included the addition of sodium equations of state and sodium properties from two different sources. The first source is based on the previous work done by Idaho National Laborat ory by modifying MELCOR to include liquid lithium equation of state as a working fluid to mode l the nuclear fusion safety research. The second source uses properties generated for the SIMMER code. Testing and results from this implementation of sodium pr operties are given. In addition, the CONTAIN-LMR code was derived from an early version of C ONTAIN code. Many physical models that were developed sin ce this early version of CONTAIN are not captured by this early code version. Therefore, CONTAIN 2 is being updated with the sodium models in CONTAIN-LMR in or der to facilitate verification of these models with the MELCOR code. Although CONTAIN 2, which represents the latest development of CONTAIN, now contains ma ny of the sodium specific models, this work is not complete due to challenges from the lower cell architecture in CONTAIN 2, which is different from CONTAIN- LMR. This implementation should be completed in the coming year, while sodi um models from C ONTAIN-LMR are being integrated into MELCOR. For testing, CONTAIN decks have been developed for verification and validation use. In terms of implementing the sodium m odels into MELCOR, a separate sodium model branch was created for this document . Because of massive development in the main stream MELCOR 2.1 code and the require ment to merge the latest code version into this branch, the integration of the s odium models were re-directed to implement the sodium chemistry models first. This change led to delays of the actual implementation. For aid in the future implementation of sodium models, a new sodium chemistry package was created. Thus reporting for the implementation of the sodium chemistry is discussed in this report.
Over the course of this project, we have analyzed data and samples from the Carbonaceous Aerosol and Radiative Effects Study (CARES) and the Clear air for London (ClearfLo) campaign, as well as conducted or participated in laboratory experiments designed to better understand black carbon mixing state and climate-relevant properties. The laboratory campaigns took place at the Pacific Northwest National Laboratory and Carnegie Mellon University to study various climate-relevant aerosol properties of different sources of soot mixing with secondary organic aerosol precursors. Results from some of these activities were summarized in the previous progress report. This final report presents the manuscripts that have been published (many in the period since the last progress report), lists presentations at different conferences based on grant-related activities, and presents some results that are likely to be submitted for publication in the near future.
This report describes the progress of the CONTAIN - LMR sodium physics and chemistry models to be implemented in MELCOR 2.1. In the past three years , the implementation included the addition of sodium equations of state and sodium properties from two different sources. The first source is based on the previous work done by Idaho National Laboratory by modifying MELCOR to include liquid lithium equation of state as a working fluid to model the nuclear fusion safety research. The second source uses properties generated for the SIMMER code. The implemented modeling has been tested and results are reported in this document. In addition, the CONTAIN - LMR code was derived from an early version of the CONTAIN code, and many physical models that were developed since this early version of CONTAIN are not available in this early code version. Therefore, CONTAIN 2 has been updated with the sodium models in CONTAIN - LMR as CONTAIN2 - LMR, which may be used to provide code-to-code comparison with CONTAIN - LMR and MELCOR when the sodium chemistry models from CONTAIN - LMR have been completed. Both the spray fire and pool fire chemistry routines from CONTAIN - LMR have been integrated into MELCOR 2.1, and debugging and testing are in progress. Because MELCOR only models the equation of state for liquid and gas phases of the coolant, a modeling gap still exists when dealing with experiments or accident conditions that take place when the ambient temperature is below the freezing point of sodium. An alternative method is under investigation to overcome this gap . We are no longer working on the separate branch from the main branch of MELCOR 2.1 since the major modeling of MELCOR 2.1 has been completed. At the current stage, the newly implemented sodium chemistry models will be a part of the main MELCOR release version (MELCOR 2.2). This report will discuss the accomplishments and issues relating to the implementation. Also, we will report on the planned completion of all remaining tasks in the upcoming FY2017, including the atmospheric chemistry model and sodium - concrete interaction model implementation .
This is the Final Progress Report of the Plasma Science and Innovation Center (PSI-Center) covering March 2014 through February 2017. The Center has accomplished a great deal during this period. The PSI-Center is organized into four groups: Edge and Dynamic Neutrals; Transport and Kinetic Effects; Equilibrium, Stability, and Kinetic Effects in 3D Topologies; and Interface for Validation. Each group has made good progress and the results from each group are given in detail.
The Commodity Credit Corporation of the U.S. Department of Agriculture (CCC/USDA) operated a grain storage facility at Agra, Kansas, from the 1950s to the early 1970s. No structures remain on the property, and the land is used for agricultural purposes, specifically wheat production. The property is currently owned by the Kyle Railroad Co. and is leased to Mr. Herb VanEaton. The Pro-Ag Marketing grain storage facility is directly south of the former CCC/USDA facility. Quarterly progress reports for October-December 2008, January-March 2009, and April- June 2009 (Argonne 2009a,b,c) provided detailed information regarding construction and startup of the cleanup. Previous periodic monitoring reports (Argonne 2010a,b,c,d, 2011a,b,c, 2012, 2013a,b,c, 2014a,b) have tracked the subsequent progress of the cleanup effort. Data for evaluation of system performance are collected primarily by sampling SVE effluents, soil gas monitoring points, and groundwater wells for analysis for volatile organic compounds (VOCs). Table 1.1 provides a detailed chronological summary of activities during implementation of the cleanup.
We describe progress developing the Device for Indirect Capture Experiments on Radionuclides (DICER) on flight path 13 at the Lujan Center at the Los Alamos Neutron Science Center (LANSCE). This capability is being developed to tightly constrain neutron-capture cross section on short-lived radioactive nuclides of high importance to weapons-program sponsors via neutron total cross section measurements on the same nuclides. In this report, we describe progress in this endeavor during October 2017 through March 2018.
This report summarizes results of a battery electric bus (BEB) evaluation at Foothill Transit, located in the San Gabriel Valley area of Los Angeles. Foothill Transit is collaborating with the California Air Resources Board and the U.S. Department of Energy's National Renewable Energy Laboratory (NREL) to evaluate the buses in revenue service. The focus of this evaluation is to compare the performance and the operating costs of the BEBs to that of conventional technology buses and to track progress over time. Previous reports documented results from April 2014 through December 2016. This report extends the data analysis through December 2017. NREL plans to publish progress reports on the Foothill Transit fleet every six months through 2020.
During fiscal year 2017 (FY 2017), the U.S. Department of Energy (DOE) Vehicle Technologies Office (VTO) funded early stage research & development (R&D) projects that address Batteries and Electrification of the U.S. transportation sector. The VTO Electrification Sub-Program is composed of Electric Drive Technologies, and Grid Integration activities. The Electric Drive Technologies group conducts R&D projects that advance Electric Motors and Power Electronics technologies. The Grid and Charging Infrastructure group conducts R&D projects that advance Grid Modernization and Electric Vehicle Charging technologies. This document presents a brief overview of the Electrification Sub-Program and progress reports for its R&D projects. Each of the progress reports provide a project overview and highlights of the technical results that were accomplished in FY 2017.
We describe progress developing the Device for Indirect Capture Experiments on Radionuclides (DICER) on flight path 13 at the Lujan Center at the Los Alamos Neutron Science Center (LANSCE). This capability is being developed to tightly constrain neutron-capture cross section on short-lived radioactive nuclides of high importance to weapons-program sponsors via neutron total cross section measurements on the same nuclides. In this report, we describe progress in this endeavor during October 2017 through September 2018.
This report discusses the initial progress made at the Oak Ridge National Laboratory to support direct disposal of dual-purpose canisters (DPCs)using filler materials to demonstrate that the probability of criticality in DPCs during disposal to be below the probability for inclusion in a repository performance assessment. In the initial phase of a multi-phase effort that will result in a full-scale demonstration, a computational fluid dynamics (CFD) model was developed to gauge the filling process and to uncover any unforeseen issues. The initial filling simulations of the lower region (mouse holes) of a prototypic DPC show successful removal of the inner space voids and smooth,even progression of the liquid level. In the initial phase, flow through a pipe that is similar to the drain pipe in a DPC will be investigated separately to gain valuable insight of flow regime inside a pipe. The initial experimental setups for validating the computational filling model have been designed,and the various assembly parts are being procured. The experience gained from the initial experiments will be applied to the next steps toward a full-scale demonstration and to the validation of multiphysics filling simulation models.
This report discusses the initial progress made at the Oak Ridge National Laboratory to support direct disposal of dual-purpose canisters (DPCs) using filler materials to demonstrate that the probability of criticality in DPCs during disposal to be below the probability for inclusion in a repository performance assessment. In the initial phase of a multi-phase effort that will result in a full-scale demonstration, a computational fluid dynamics (CFD) model was developed to gauge the filling process and to uncover any unforeseen issues. The initial filling simulations of the lower region (mouse holes) of a prototypic DPC show successful removal of the inner space voids and smooth, even progression of the liquid level. In the initial phase, flow through a pipe that is similar to the drain pipe in a DPC will be investigated separately to gain valuable insight of flow regime inside a pipe. The initial experimental setups for validating the computational filling model have been designed, and the various assembly parts are being procured. The experience gained from the initial experiments will be applied to the next steps toward a full-scale demonstration and to the validation of multiphysics filling simulation models.
This report summarizes results of a battery electric bus (BEB) evaluation at Foothill Transit, located in the San Gabriel Valley area of Los Angeles. Foothill Transit is collaborating with the California Air Resources Board and the U.S. Department of Energy's National Renewable Energy Laboratory (NREL) to evaluate the buses in revenue service. The focus of this evaluation is to compare the performance and the operating costs of the BEBs to that of conventional technology buses and to track progress over time. Previous reports documented results from April 2014 through June 2018. This report extends the data analysis through the end of 2018. The data period focus of this report is July 2018-December 2018. NREL plans to publish progress reports on the Foothill Transit fleet every 6 months through 2020.
Energy Efficient Mobility Systems (EEMS) Program activities during FY 2018 focused on analytical research to understand the impacts that new mobility technologies and services will have at the vehicle, traveler, and overall transportation system-level. This research included the development of vehicle and transportation system simulation models and tools to evaluate the complex interactions among the various actors within the mobility landscape, analysis of empirical data to characterize which solutions may provide the largest benefits, and development of new control systems and algorithms that use vehicle connectivity and automation to improve the performance and efficiency of individual vehicles as well as the overall traffic system This document presents a brief overview of the EEMS Program and documents progress and results for projects within four of the five EEMS activity areas: (1) the SMART (Systems and Modeling for Accelerated Research in Transportation) Mobility Lab Consortium, (2) High Performance Computing and Big Data Solutions for Mobility Data, (3) Advanced R&D Projects conducted by industry and academia, and (4) Core Modeling, Simulation, and Evaluation, Similarly, the remaining EEMS activity area – (5) Living Labs (managed under VTO’s Technology Integration Program). Each of the individual progress reports provide a project overview and highlights of the technical results.
During fiscal year 2018 (FY 2018), the U.S. Department of Energy (DOE) Vehicle Technologies Office (VTO) funded early stage research & development (R&D) projects that address batteries and electrification of the U.S. transportation sector. The VTO Electrification Sub-Program is composed of Electric Drive Technologies, and Grid Integration activities. The Electric Drive Technologies group conducts R&D projects that advance electric motors and power electronics technologies. The Grid and Charging Infrastructure group conducts R&D projects that advance grid modernization and electric vehicle charging technologies. This document presents a brief overview of the Electrification Sub-Program and progress reports for its R&D projects. Each of the progress reports provide a project overview and highlights of the technical results that were accomplished in FY 2018.
This report describes the progress on the validation of the development of MELCOR Sodium Chemistry (NAC) package. The primary focus for this report is to ensure that the implementation of the CONTAIN-LMR sodium models into MELCOR is correctly done. Thus, the verification test is to conduct the code-to-code comparison with MELCOR and CONTAIN-LMR. Last year we had reported the development of NAC package which included three sodium models: spray fire, pool fire and atmospheric chemistry. The first 2 models were completed and additional improvement for these two models were done this year to allow upward spray capability and various functional capability for modeling the pool fire experiment better, respectively. This year, the atmospheric chemistry implementation has been progressed to a point for testing in the presence of water vapor (modeled as ideal gas) as a part of the two-condensable option model in the CONTAIN- LMR. The user's guide and reference manual for the NAC package including these improvements are described in a separate document being published as a part of the MELCOR 2.2 release. For this report, we would discuss the experimental validation using the implemented spray fire and pool fire models. A code-to-code comparison with CONTAIN-LMR is described for a spray fire experiment. Note that the atmospheric chemistry model has not fully implemented due to the absence of the two condensable option. Only the chemical reactions between the sodium aerosol and water vapor can be modeled. ACKNOWLEDGEMENTS This work was overseen and managed by Matthew R. Denman (Sandia National Laboratories). In addition, we appreciate that Chris Faucett for developing experimental data and provided the initial input decks as a part of the MELCOR assessment report development for U.S. Nuclear Regulatory Commission's project. This work is supported by the Office of Nuclear Energy of the U.S. Department of Energy work package number AT-17SN170204 and NT-185N05030102.