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DOE OSTI2013

Dual-Readout Calorimetry for High-Quality Energy Measurements (Final Report)

This document constitutes the final report on the project Dual-Readout Calorimetry for High-Quality Energy Measurements. The project was carried out by a consortium of US and Italian physicists, led by Dr. Richard Wigmans (Texas tech University). This consortium built several particle detectors and tested these at the European Center for Nuclear Research (CERN) in Geneva, Switzerland. The idea arose to use scintillating crystals as dual-readout calorimeters. Such crystals were of course already known to provide excellent energy resolution for the detection of particles developing electromagnetic (em) showers. The efforts to separate the signals from scintillating crystals into scintillation and Cerenkov components led to four different methods by which this could be accomplished. These methods are based on a) the directionality, b) spectral differences, c) the time structure, and d) the polarization of the signals.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗
DOE OSTI2014

Final Project Report "Advanced Concept Exploration For Fast Ignition Science Program"

The Fast Ignition (FI) Concept for Inertial Confinement Fusion has the potential to provide a significant advance in the technical attractiveness of Inertial Fusion Energy (IFE) reactors. FI differs from conventional “central hot spot” (CHS) target ignition by decoupling compression from heating: using the laser (or heavy ion beam or Z pinch) drive pulse (10’s of ns) to create a dense fuel and a second, much shorter (~10 ps) high intensity pulse to ignite a small region of it. There are two major physics issues concerning this concept; controlling the laser-induced generation of large electron currents and their propagation through high density plasmas. This project has addressed these two significant scientific issues in Relativistic High Energy Density (RHED) physics. Learning to control relativistic laser matter interaction (and the limits and potential thereof) will enable a wide range of applications. While these physics issues are of specific interest to inertial fusion energy science, they are also important for a wide range of other HED phenomena, including high energy ion beam generation, isochoric heating of materials, and the development of high brightness x-ray sources. Generating, controlling, and understanding the extreme conditions needed to advance this science has proved to be challenging: Our studies have pushed the boundaries of physics understanding and are at the very limits of experimental, diagnostic, and simulation capabilities in high energy density laboratory physics (HEDLP). Our research strategy has been based on pursuing the fundamental physics underlying the Fast Ignition (FI) concept. We have performed comprehensive study of electron generation and transport in fast-ignition targets with experiments, theory, and numerical modeling. A major issue is that the electrons produced in these experiments cannot be measured directly—only effects due to their transport. We focused mainly on x-ray continuum photons from bremsstrahlung and x-ray line radiation from K-shell fluorescence. Integrated experiments, which combine target compression with short-pulse laser heating, yield additional information on target heating efficiency. This indirect way of studying the underlying behavior of the electrons must be validated with computational modeling to understand the physics and improve the design. This program execution required a large, well-organized team and it was managed by a joint Collaboration between General Atomics (GA), Lawrence Livermore National Laboratory (LLNL), and the Laboratory for Laser Energetics (LLE). The Collaboration was formed 8 years ago to understand the physics issues of the Fast Ignition concept, building on the strengths of each partner. GA fulfills its responsibilities jointly with the University of California, San Diego (UCSD), The Ohio State University (OSU) and the University of Nevada at Reno (UNR). Since RHED physics is pursued vigorously in many countries, international researchers have been an important part of our efforts to make progress. The division of responsibility was as follows: (1) LLE had primary leadership for channeling studies and the integrated energy transfer, (2) LLNL led the development of measurement methods, analysis, and deployment of diagnostics, and (3) GA together with UCSD, OSU and UNR studied the detailed energy-transfer physics. The experimental program was carried out using the Titan laser at the Jupiter Laser Facility at LLNL, the OMEGA and OMEGA EP lasers at LLE and the Texas Petawatt laser (TPW) at UT Austin. Modeling has been pursued on large computing facilities at LLNL, OSU, and UCSD using codes developed (by us and others) within the HEDLP program, commercial codes, and by leveraging existing supercomputer codes developed by the NNSA ICF program. This Consortium brought together all the components—resources, facilities, and personnel—necessary to accomplish its aggressive goals. The ACE Program has been strongly collaborative, taking advantage of the expertise of the participating institutions to provide a research effort that is far greater than the sum of its parts. The results of this work have firmly strengthened the scientific foundation from which the viability of FI and other applications can be evaluated. Program execution has also led to improved diagnostics for probing dense, hot plasmas, detailed understanding of high-current, relativistic electron energy generation and transport across boundaries and into dense plasmas, and greatly enhanced predictive modeling capabilities. One important aspect of this program was the involvement and training of young scientists including postdoctoral fellows and graduate students. During the entire 8 years of FI and ACE project period since 2005, more than fifteen graduate students completed their doctoral dissertations including three from OSU and two from UCSD in last three years. This project generated an impressive forty articles in high quality journals including nine (including two under review) in Physical Review Letters during the last funding period since 2011.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

CRADA Final Report For CRADA NO. CR-12-006 [Operation and Testing of an SO 2 -depolarized Electrolyzer (SDE) for the Purpose of Hydrogen and Sulfuric Acid Production]

Over the past several years, Savannah River National Laboratory (SRNL) has led a team of collaborators under the Department of Energy’s (DOE) nuclear hydrogen production program to develop the Hybrid Sulfur (HyS) Process. HyS is a 2-step water-splitting process consisting of high temperature decomposition of sulfuric acid to generate SO 2 , followed by the electrolysis of aqueous SO 2 to generate hydrogen and sulfuric acid. The latter is fed back into the high temperature reactor. SRNL designed and built an SO 2 -depolarized electrolyzer (SDE) and a test facility. Over 40 SDE’s were tested using different catalysts, membranes and other components. SRNL demonstrated that an SDE could be operated continuously for approximately 200 hours under certain conditions without buildup of sulfur at the SDE’s cathode, thus solving a key technical problem with SDE technology. Air Products and Chemicals, Inc. (APCI) is a major supplier of hydrogen production systems, and they have proprietary technology that could benefit from the SDE developed by SRNS, or some improved version thereof. However, to demonstrate that SRNL’s SDE is a truly viable approach to the electrolyzer design, continuous operation for far greater periods of time than 200 hours must be demonstrated, and the electrolyzer must be scaled up to greater hydrogen production capacities. SRNL and Air Products entered into a Cooperative Research and Development Agreement with the objective of demonstrating the effectiveness of the SDE for hydrogen and sulfuric acid production and to demonstrate long-term continuous operation so as to dramatically increase the confidence in the SDE design for commercial operation. SRNL prepared a detailed technical report documenting previous SDE development, including the current SDE design and operating conditions that led to the 200-hour sulfurfree testing. SRNL refurbished its single cell SDE test facility and qualified the equipment for continuous operation. A new membrane electrode assembly (MEA) was fabricated and installed in the single cell electrolyzer (60 cm 2 active cell area). Shakedown testing was conducted, and several modifications were made to the test facility equipment. Seven different MEAs were used during testing. Beginning on May 20, 2013, SRNL was able to test the SDE continuously for 1200 hours, including 1000 hours under power to generate hydrogen at an average rate of 10.8 liters per hour. The SDE was not removed or repaired during the 50-day test and was successfully restarted after each shutdown. The test was intentionally stopped after 1200 hours (1000 hours of hydrogen production) due to funding constraints. Post-test examination of the MEA using Scanning Electron Microscopy (SEM) and Energy Dispersive X-ray Microanalysis (EDAX) showed no elemental sulfur deposits or sulfur layer inside the cell, thus successfully achieving the test goals. The results demonstrated that the SDE could be operated for extended periods without major performance degradation or the buildup of sulfur inside the MEA. Air Products conducted an assessment of the economic viability of the SDE based on the “as tested” design. The results indicated that the SDE faces significant economic obstacles in its current state. Further development and scale-up are necessary before the SDE is ready for commercialization.

08 HYDROGEN↗
DOE OSTI2013

Annual Report: Carbon Capture Simulation Initiative (CCSI) (30 September 2013)

The Carbon Capture Simulation Initiative (CCSI) is a partnership among national laboratories, industry and academic institutions that is developing and deploying state-of-the-art computational modeling and simulation tools to accelerate the commercialization of carbon capture technologies from discovery to development, demonstration, and ultimately the widespread deployment to hundreds of power plants. The CCSI Toolset will provide end users in industry with a comprehensive, integrated suite of scientifically validated models, with uncertainty quantification (UQ), optimization, risk analysis and decision making capabilities. The CCSI Toolset incorporates commercial and open-source software currently in use by industry and is also developing new software tools as necessary to fill technology gaps identified during execution of the project. Ultimately, the CCSI Toolset will (1) enable promising concepts to be more quickly identified through rapid computational screening of devices and processes; (2) reduce the time to design and troubleshoot new devices and processes; (3) quantify the technical risk in taking technology from laboratory-scale to commercial-scale; and (4) stabilize deployment costs more quickly by replacing some of the physical operational tests with virtual power plant simulations. CCSI is led by the National Energy Technology Laboratory (NETL) and leverages the Department of Energy (DOE) national laboratories’ core strengths in modeling and simulation, bringing together the best capabilities at NETL, Los Alamos National Laboratory (LANL), Lawrence Berkeley National Laboratory (LBNL), Lawrence Livermore National Laboratory (LLNL), and Pacific Northwest National Laboratory (PNNL). The CCSI’s industrial partners provide representation from the power generation industry, equipment manufacturers, technology providers and engineering and construction firms. The CCSI’s academic participants (Carnegie Mellon University, Princeton University, West Virginia University, Boston University and the University of Texas at Austin) bring unparalleled expertise in multiphase flow reactors, combustion, process synthesis and optimization, planning and scheduling, and process control techniques for energy processes. During Fiscal Year (FY) 13, CCSI announced the initial release of its first set of computational tools and models during the October 2012 meeting of its Industry Advisory Board. This initial release led to five companies licensing the CCSI Toolset under a Test and Evaluation Agreement this year. By the end of FY13, the CCSI Technical Team had completed development of an updated suite of computational tools and models. The list below summarizes the new and enhanced toolset components that were released following comprehensive testing during October 2013. 1. FOQUS. Framework for Optimization and Quantification of Uncertainty and Sensitivity. Package includes: FOQUS Graphic User Interface (GUI), simulation-based optimization engine, Turbine Client, and heat integration capabilities. There is also an updated simulation interface and new configuration GUI for connecting Aspen Plus or Aspen Custom Modeler (ACM) simulations to FOQUS and the Turbine Science Gateway. 2. A new MFIX-based Computational Fluid Dynamics (CFD) model to predict particle attrition. 3. A new dynamic reduced model (RM) builder, which generates computationally efficient RMs of the behavior of a dynamic system. 4. A completely re-written version of the algebraic surrogate model builder for optimization (ALAMO). The new version is several orders of magnitude faster than the initial release and eliminates the MATLAB dependency. 5. A new suite of high resolution filtered models for the hydrodynamics associated with horizontal cylindrical objects in a flow path. 6. The new Turbine Science Gateway (Cluster), which supports FOQUS for running multiple simulations for optimization or UQ using a local computer or cluster. 7. A new statistical tool (BSS-ANOVA-UQ) for calibration and validation of CFD models. 8. A new basic data submodel in Aspen Plus format for a representative high viscosity capture solvent, 2-MPZ system. 9. An updated RM tool for CFD (REVEAL) that can create a RM from MFIX. A new lightweight, stand-alone version will be available in late 2013. 10. An updated RM integration tool to convert the RM from REVEAL into a CAPE-OPEN or ACM model for use in a process simulator. 11. An updated suite of unified steady-state and dynamic process models for solid sorbent carbon capture included bubbling fluidized bed and moving bed reactors. 12. An updated and unified set of compressor models including steady-state design point model and dynamic model with surge detection. 13. A new framework for the synthesis and optimization of coal oxycombustion power plants using advanced optimization algorithms. This release focuses on modeling and optimization of a cryogenic air separation unit (ASU). 14. A new technical risk model in spreadsheet format. 15. An updated version of the sorbent kinetic/equilibrium model for parameter estimation for the 1st generation sorbent model. 16. An updated process synthesis superstructure model to determine optimal process configurations utilizing surrogate models from ALAMO for adsorption and regeneration in a solid sorbent process. 17. Validation models for NETL Carbon Capture Unit utilizing sorbent AX. Additional validation models will be available for sorbent 32D in 2014. 18. An updated hollow fiber membrane model and system example for carbon capture. 19. An updated reference power plant model in Thermoflex that includes additional steam extraction and reinjection points to enable heat integration module. 20. An updated financial risk model in spreadsheet format.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2013

Development of Optimal Catalyst Designs and Operating Strategies for Lean NOx Reduction in Coupled LNT-SCR Systems

Oxides of nitrogen in the form of nitric oxide (NO) and nitrogen dioxide (NO 2 ) commonly referred to as NO x , is one of the two chemical precursors that lead to ground-level ozone, a ubiquitous air pollutant in urban areas. A major source of NO x } is generated by equipment and vehicles powered by diesel engines, which have a combustion exhaust that contains NO x in the presence of excess O 2 . Catalytic abatement measures that are effective for gasoline-fueled engines such as the precious metal containing three-way catalytic converter (TWC) cannot be used to treat O 2 -laden exhaust containing NO x . Two catalytic technologies that have emerged as effective for NO x abatement are NO x storage and reduction (NSR) and selective catalytic reduction (SCR). NSR is similar to TWC but requires much larger quantities of expensive precious metals and sophisticated periodic switching operation, while SCR requires an on-board source of ammonia which serves as the chemical reductant of the NO x . The fact that NSR produces ammonia as a byproduct while SCR requires ammonia to work has led to interest in combining the two together to avoid the need for the cumbersome ammonia generation system. In this project a comprehensive study was carried out of the fundamental aspects and application feasibility of combined NSR/SCR. The project team, which included university, industry, and national lab researchers, investigated the kinetics and mechanistic features of the underlying chemistry in the lean NOx trap (LNT) wherein NSR was carried out, with particular focus on identifying the operating conditions such as temperature and catalytic properties which lead to the production of ammonia in the LNT. The performance features of SCR on both model and commercial catalysts focused on the synergy between the LNT and SCR converters in terms of utilizing the upstream-generated ammonia and alternative reductants such as propylene, representing the hydrocarbon component of diesel exhaust. First-principle models of the LNT and SCR converters, which utilized the mechanistic-based kinetics and realistic treatments of the flow and transport processes, in combination with bench-scale reactor experiments helped to identify the best designs for combining the NSR and SCR catalysts over a range of operating conditions encountered in practice. This included catalysts having multiple zones and layers and additives with the focus on determining the minimal precious metal component needed to meet emission abatement targets over a wide range of operating conditions. The findings from this study provide diesel vehicle and catalyst companies valuable information to develop more cost effective diesel emissions catalysts which helps to expand the use of more fuel efficient diesel power. The fundamental modeling and experimental tools and findings from this project can be applied to catalyst technologies used in the energy and chemical industries. Finally, the project also led to training of several doctoral students who were placed in research jobs in industry and academia.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Collaborative research: Dynamics of electrostatic solitary waves and their effects on current layers

The project has accomplished the following achievements including the goals outlined in the original proposal. Generation and measurements of Debye-scale electron holes in laboratory: We have generated by beam injections electron solitary waves in the LAPD experiments. The measurements were made possible by the fabrication of the state-of-the-art microprobes at UCLA to measure Debye-scale electric fields [Chiang et al., 2011]. We obtained a result that challenged the state of knowledge about electron hole generation. We found that the electron holes were not due to two-stream instability, but generated by a current-driven instability that also generated whistler-mode waves [Lefebvre et al., 2011, 2010b]. Most of the grant supported a young research scientist Bertrand Lefebvre who led the dissemination of the laboratory experimental results. In addition to two publications, our work relevant to the laboratory experiments on electron holes has resulted in 7 invited talks [Chen, 2007, 2009; Pickett et al., 2009a; Lefebvre et al., 2010a; Pickett et al., 2010; Chen et al., 2011c, b] (including those given by the co-I Jolene Pickett) and 2 contributed talks [Lefebvre et al., 2009b, a]. Discovery of elecctron phase-space-hole structure in the reconnection electron layer: Our theoretical analyses and simulations under this project led to the discovery of an inversion electric field layer whose phase-space signature is an electron hole within the electron diffusion layer in 2D anti-parallel reconnection [Chen et al., 2011a]. We carried out particle tracing studies to understand the electron orbits that result in the phase-space hole structure. Most importantly, we showed that the current density in the electron layer is limited in collisionless reconnection with negligible guide field by the cyclotron turning of meandering electrons. Comparison of electrostatic solitary waves in current layers observed by Cluster and in LAPD: We compared the ESWs observed in a supersubstorm by the Cluster spacecraft and those measured in LAPD. One of the similarities in the characteristics of ESWs observed in space and in LAPD is that the time duration tends to be approximately the inverse of the electron plasma frequency [Pickett et al., 2009b]. Discovery of suprathermal electron bursts inside a series of magnetic islands: Our effort in examining the roles of ESWs in reconnection current layers resulted in the serendipitous discovery that was published in Nature Physics. In earth’s magnetosphere, we observed through the measurements from the four Cluster spacecraft, a series of magnetic islands and suprathermal electron bursts within the islands. The islands were identified to be effectively acceleration sites for electrons [Chen et al., 2008, 2009].

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Molecular Mechanisms of Bacterial Mercury Transformation (Final Report)

The bacterial mercury resistance (mer) operon functions in Hg biogeochemistry and bioremediation by converting reactive inorganic Hg(II) and organic [RHg(II)] 1+ mercurials to relatively inert monoatomic mercury vapor, Hg(0). Its genes regulate operon expression (MerR, MerD, MerOP), import Hg(II) (MerT, MerP, and MerC), and demethylate (MerB) and reduce (MerA) mercurials. We focus on how these components interact with each other and with the host cell to allow cells to survive and detoxify Hg compounds. Understanding how this ubiquitous detoxification system fits into the biology and ecology of its bacterial host is essential to guide interventions that support and enhance Hg remediation. In the current overall project we focused on two aspects of this system: (1) investigations of the energetics of Hg(II)-ligand binding interactions, and (2) both experimental and computational approaches to investigating the molecular mechanisms of Hg(II) acquisition by MerA and intramolecular transfer of Hg(II) prior to reduction within the MerA enzyme active site. Computational work was led by Prof. Jeremy Smith and took place at the University of Tennessee, while experimental work on MerA was led by Prof. Susan Miller and took place at the University of California San Francisco.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2014

Final Assessment of Manual Ultrasonic Examinations Applied to Detect Flaws in Primary System Dissimilar Metal Welds at North Anna Power Station

PNNL conducted a technical assessment of the NDE issues and protocols that led to missed detections of several axially oriented flaws in a steam generator primary inlet dissimilar metal weld at North Anna Power Station, Unit 1 (NAPS-1). This particular component design exhibits a significant outside-diameter (OD) taper that is not included as a blind performance demonstration mock-up within the industry’s Performance Demonstration Initiative, administered by EPRI. For this reason, the licensee engaged EPRI to assist in the development of a technical justification to support the basis for a site-specific qualification. The service-induced flaws at NAPS-1 were eventually detected as a result of OD surface machining in preparation for a full structural weld overlay. The machining operation uncovered the existence of two through-wall flaws, based on the observance of primary water leaking from the dissimilar metal weld. A total of five axially oriented flaws were detected in varied locations around the weld circumference. The field volumetric examination that was conducted at NAPS-1 was a non-encoded, real-time manual ultrasonic examination. PNNL conducted both an initial assessment, and subsequently, a more rigorous technical evaluation (reported here), which has identified an array of NDE issues that may have led to the subject missed detections. These evaluations were performed through technical reviews and discussions with NRC staff, EPRI NDE Center personnel, industry and ISI vendor personnel, and ultrasonic transducer manufacturers, and laboratory tests, to better understand the underlying issues at North Anna.

cracks↗
DOE OSTI2012

Advanced Epi Tools for Gallium Nitride Light Emitting Diode Devices

Over the course of this program, Applied Materials, Inc., with generous support from the United States Department of Energy, developed a world-class three chamber III-Nitride epi cluster tool for low-cost, high volume GaN growth for the solid state lighting industry. One of the major achievements of the program was to design, build, and demonstrate the world’s largest wafer capacity HVPE chamber suitable for repeatable high volume III-Nitride template and device manufacturing. Applied Materials’ experience in developing deposition chambers for the silicon chip industry over many decades resulted in many orders of magnitude reductions in the price of transistors. That experience and understanding was used in developing this GaN epi deposition tool. The multi-chamber approach, which continues to be unique in the ability of the each chamber to deposit a section of the full device structure, unlike other cluster tools, allows for extreme flexibility in the manufacturing process. This robust architecture is suitable for not just the LED industry, but GaN power devices as well, both horizontal and vertical designs. The new HVPE technology developed allows GaN to be grown at a rate unheard of with MOCVD, up to 20x the typical MOCVD rates of 3{micro}m per hour, with bulk crystal quality better than the highest-quality commercial GaN films grown by MOCVD at a much cheaper overall cost. This is a unique development as the HVPE process has been known for decades, but never successfully commercially developed for high volume manufacturing. This research shows the potential of the first commercial-grade HVPE chamber, an elusive goal for III-V researchers and those wanting to capitalize on the promise of HVPE. Additionally, in the course of this program, Applied Materials built two MOCVD chambers, in addition to the HVPE chamber, and a robot that moves wafers between them. The MOCVD chambers demonstrated industry-leading wavelength yield for GaN based LED wafers and industry-leading uptime enabled in part by a novel in-situ cleaning process developed in this program.

36 MATERIALS SCIENCE↗
DOE OSTI2014

Data Movement Dominates: Advanced Memory Technology to Address the Real Exascale Power Problem

Energy is the fundamental barrier to Exascale supercomputing and is dominated by the cost of moving data from one point to another, not computation. Similarly, performance is dominated by data movement, not computation. The solution to this problem requires three critical technologies: 3D integration, optical chip-to-chip communication, and a new communication model. The central goal of the Sandia led "Data Movement Dominates" project aimed to develop memory systems and new architectures based on these technologies that have the potential to lower the cost of local memory accesses by orders of magnitude and provide substantially more bandwidth. Only through these transformational advances can future systems reach the goals of Exascale computing with a manageable power budgets. The Sandia led team included co-PIs from Columbia University, Lawrence Berkeley Lab, and the University of Maryland. The Columbia effort of Data Movement Dominates focused on developing a physically accurate simulation environment and experimental verification for optically-connected memory (OCM) systems that can enable continued performance scaling through high-bandwidth capacity, energy-efficient bit-rate transparency, and time-of-flight latency. With OCM, memory device parallelism and total capacity can scale to match future high-performance computing requirements without sacrificing data-movement efficiency. When we consider systems with integrated photonics, links to memory can be seamlessly integrated with the interconnection network-in a sense, memory becomes a primary aspect of the interconnection network. At the core of the Columbia effort, toward expanding our understanding of OCM enabled computing we have created an integrated modeling and simulation environment that uniquely integrates the physical behavior of the optical layer. The PhoenxSim suite of design and software tools developed under this effort has enabled the co-design of and performance evaluation photonics-enabled OCM architectures on Exascale computing systems.

97 MATHEMATICS AND COMPUTING↗
DOE OSTI2014

RF BREAKDOWN STUDIES USING PRESSURIZED CAVITIES

Many present and future particle accelerators are limited by the maximum electric gradient and peak surface fields that can be realized in RF cavities. Despite considerable effort, a comprehensive theory of RF breakdown has not been achieved and mitigation techniques to improve practical maximum accelerating gradients have had only limited success. Part of the problem is that RF breakdown in an evacuated cavity involves a complex mixture of effects, which include the geometry, metallurgy, and surface preparation of the accelerating structures and the make-up and pressure of the residual gas in which plasmas form. Studies showed that high gradients can be achieved quickly in 805 MHz RF cavities pressurized with dense hydrogen gas, as needed for muon cooling channels, without the need for long conditioning times, even in the presence of strong external magnetic fields. This positive result was expected because the dense gas can practically eliminate dark currents and multipacting. In this project we used this high pressure technique to suppress effects of residual vacuum and geometry that are found in evacuated cavities in order to isolate and study the role of the metallic surfaces in RF cavity breakdown as a function of magnetic field, frequency, and surface preparation. One of the interesting and useful outcomes of this project was the unanticipated collaborations with LANL and Fermilab that led to new insights as to the operation of evacuated normal-conducting RF cavities in high external magnetic fields. Other accomplishments included: (1) RF breakdown experiments to test the effects of SF6 dopant in H2 and He gases with Sn, Al, and Cu electrodes were carried out in an 805 MHz cavity and compared to calculations and computer simulations. The heavy corrosion caused by the SF6 components led to the suggestion that a small admixture of oxygen, instead of SF6, to the hydrogen would allow the same advantages without the corrosion in a practical muon beam line. (2) A 1.3 GHz RF test cell capable of operating both at high pressure and in vacuum with replaceable electrodes was designed, built, and power tested in preparation for testing the frequency and geometry effects of RF breakdown at Argonne National Lab. At the time of this report this cavity is still waiting for the 1.3 GHz klystron to be available at the Wakefield Test Facility. (3) Under a contract with Los Alamos National Lab, an 805 MHz RF test cavity, known as the All-Seasons Cavity (ASC), was designed and built by Muons, Inc. to operate either at high pressure or under vacuum. The LANL project to use the (ASC) was cancelled and the testing of the cavity has been continued under the grant reported on here using the Fermilab Mucool Test Area (MTA). The ASC is a true pillbox cavity that has performed under vacuum in high external magnetic field better than any other and has demonstrated that the high required accelerating gradients for many muon cooling beam line designs are possible. (4) Under ongoing support from the Muon Acceleration Program, microscopic surface analysis and computer simulations have been used to develop models of RF breakdown that apply to both pressurized and vacuum cavities. The understanding of RF breakdown will lead to better designs of RF cavities for many applications. An increase in the operating accelerating gradient, improved reliability and shorter conditioning times can generate very significant cost savings in many accelerator projects.

43 PARTICLE ACCELERATORS↗
DOE OSTI2014

Technical Report: Final

The objective of this work was to develop catalyzed nanoporous materials that have superior hydrogen uptake between 300K and 400K and moderate pressures. Platinum nanoparticles were introduced to both activated carbons (ACs) and microporous metal organic frameworks (MMOFs) in order to dissociate molecular hydrogen into an active hydrogen species that diffuses from the catalyst to weakly chemisorbs to the AC/MMOF support; this combined sequence is referred to as the hydrogen spillover mechanism. For all materials studied, maximum excess hydrogen uptake was 1-1.4 wt% (excess) at 300K, falling short of DOE storage goals (5.5 wt% by 2015). Select Pt/AC materials (after in situ catalyst activation) had high uptake (up to 1.4 wt%) at low pressure which significantly exceeded that expected for physisorption. The uptake was not correlated to size of Pt catalyst, but appeared to be associated with high surface activity of the AC support and the methodology of catalyst doping. Multiple techniques were explored to introduce Pt nanoparticles into MMOFs, but most led to significant structural degradation. Ultimately, a ‘pre-bridge’ (PB) technique was used to introduce Pt/AC catalysts into MMOFs, as the PB technique led to virtually non-detectable changes in structure. At high pressure, hydrogen spillover of ~1 wt% (excess) to a PB-MMOF was very slow (i.e. >80 hours at 70-80 bar), which can be attributed to high diffusion barriers in a complex three-surface domain material (Pt, AC, MMOF) as well as unexpected evidence for mechanical instability of the undoped MMOF precursor. In a low-pressure comparison study of three PB-MMOFs, we found evidence that the doping technique may introduce defects which may contribute to enhanced adsorption at 300K. However, we could not rule out the effect of active Pt sites, as common predictors of adsorption generally favored the materials without Pt. Furthermore, spectroscopic evidence provided definitive evidence of weak hydrogen chemisorption to two MMOFs and AC, and was found only for materials containing Pt catalyst. Overall, high uptake via hydrogen spillover requires high catalytic activity and an energy neutral surface landscape for ready diffusion, with little to no correlation to the size of the Pt nanoparticle or textural properties (i.e. surface area or porosity) of the AC or MMOF support.

08 HYDROGEN↗
DOE OSTI2014

Final Technical Report. Reactivity of Iron-Bearing Minerals and CO 2 Sequestration and Surface Chemistry of Pyrite. An Interdisciplinary Approach

Over the course of the scientific program, two areas of research were pursued: reactions of iron oxides with supercritical CO 2 and sulfide and surface reactivity of pyrite. The latter area of interest was to understand the chemistry that results when supercritical CO 2 (scCO 2 ) with H 2 S and/or SO 2 in deep saline formations (DFS) contacts iron bearing minerals. Understanding the complexities the sulfur co-injectants introduce is a critical step in developing CO 2 sequestration as a climate-mitigating strategy. The research strategy was to understand macroscopic observations of this chemistry with an atomic/molecular level view using surface analytical techniques. Research showed that the exposure of iron (oxyhdr)oxides (which included ferrihydrite, goethite, and hematite) to scCO 2 in the presence of sulfide led to reactions that formed siderite (FeCO 3 ). The results have important implications for the sequestration of CO 2 via carbonation reactions in the Earth’s subsurface. An earlier area of focus in the project was to understand pyrite oxidation in microscopic detail. This understanding was used to understand macroscopic observations of pyrite reactivity. Results obtained from this research led to a better understanding how pyrite reacts in a range of chemical environments. Geochemical and modern surface science techniques were used to understand the chemistry of pyrite in important environmental conditions. The program relied on a strong integration the results of these techniques to provide a fundamental understanding to the macroscopic chemistry exhibited by pyrite in the environment. Major achievements during these studies included developing an understanding of the surface sites on pyrite that controlled its reactivity under oxidizing conditions. In particular sulfur anion vacancies and/or ferric sites were sites of reactivity. Studies also showed that the adsorption of phospholipid on the surface to selectively suppress the reactivity of these sites could of potential importance for suppressing acid mine drainage in the environment (a problem common to coal-mining sites). Biotic studies showed that microbial activity that promotes the oxidation of pyrite to produce AMD could also be suppressed by the adsorption of phospholipid.

58 GEOSCIENCES↗
DOE OSTI2015

The center for multiscale plasma dynamics

This final report describes research performed in Princeton University, led by Professor Yannis G. Kevrekidis, over a period of six years (August 1, 2014 to July 31, 2010, including a one-year, no-cost extension) as part of the Center for Multiscale Plasma Dynamics led by the University of Maryland. The work resulted in the development and implementation of several multiscale algorithms based on the equation-free approach pioneered by the PI, including its applications in plasma dynamics problems. These algoriithms include coarse projective integration and coarse stability/bifurcation computations. In the later stages of the work, new links were made between this multiscale, coarse-graining approach and advances in data mining/machine learning algorithms.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2014

Advanced Fuels Campaign FY 2014 Accomplishments Report

The mission of the Advanced Fuels Campaign (AFC) is to perform Research, Development, and Demonstration (RD&D) activities for advanced fuel forms (including cladding) to enhance the performance and safety of the nation’s current and future reactors; enhance proliferation resistance of nuclear fuel; effectively utilize nuclear energy resources; and address the longer-term waste management challenges. This includes development of a state-of-the art Research and Development (R&D) infrastructure to support the use of a “goal-oriented science-based approach.” In support of the Fuel Cycle Research and Development (FCRD) program, AFC is responsible for developing advanced fuels technologies to support the various fuel cycle options defined in the Department of Energy (DOE) Nuclear Energy Research and Development Roadmap, Report to Congress, April 2010. AFC uses a “goal-oriented, science-based approach” aimed at a fundamental understanding of fuel and cladding fabrication methods and performance under irradiation, enabling the pursuit of multiple fuel forms for future fuel cycle options. This approach includes fundamental experiments, theory, and advanced modeling and simulation. The modeling and simulation activities for fuel performance are carried out under the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program, which is closely coordinated with AFC. In this report, the word “fuel” is used generically to include fuels, targets, and their associated cladding materials. R&D of light water reactor (LWR) fuels with enhanced accident tolerance is also conducted by AFC. These fuel systems are designed to achieve significantly higher fuel and plant performance to allow operation to significantly higher burnup, and to provide enhanced safety during design basis and beyond design basis accident conditions. The overarching goal is to develop advanced nuclear fuels and materials that are robust, have high performance capability, and are more tolerant to accident conditions than traditional fuel systems. AFC management and integration activities included continued support for international collaborations, primarily with France, Japan, the European Union, Republic of Korea, and China, as well as various working group and expert group activities in the Organization for Economic Cooperation and Development Nuclear Energy Agency (OECD-NEA) and the International Atomic Energy Agency (IAEA). Three industry-led Funding Opportunity Announcements (FOAs) and two university-led Integrated Research Projects (IRPs), funded in 2013, made significant progress in fuels and materials development. All are closely integrated with AFC and Accident Tolerant Fuels (ATF) research. Accomplishments made during fiscal year (FY) 2014 are highlighted in this report, which focuses on completed work and results. The process details leading up to the results are not included; however, the lead technical contact is provided for each section.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2013

Energy Implications of In-Line Filtration in California

Occupant concern about indoor air quality (IAQ) issues has led to the increased use of more effective air filters in residential heating and cooling systems. This study performed measurements in ten California houses to determine the effects of changing filter performance and related characteristics on the energy use of the heating and cooling systems. Multiple filters were evaluated covering a wide range of filter effectiveness from simple low filtration fiberglass filters up to high efficiency filters that might be used by occupants concerned about IAQ. Sophisticated analysis and simulation tools used the field-testing results to determine filter impacts for a wide range of parameters and California climates. The results indicate that for MERV 10/11/13 filters the effects on energy use are moderate (<5%) over a wide range of performance conditions and climates. Using higher MERV 16 filters can lead to significantly increased energy use (>5%). The high airflow resistance of MERV 16 filters led to excess noise in some test houses from air bypassing the filter and the blower motor. Filter loading rates varied more from house to house than by MERV rating and overall were quite low in many of the homes. Filter related energy use does not need to be addressed for filters of MERV 10/11/13 and MERV 16 filters should only be used with low leakage tested ducts unless the filter is mounted at the blower compartment. MERV 16 filters should only be used if the filter area is sufficient to prevent noise issues and if the duct system has low air flow resistance and low leakage. Filters should be labeled for their air flow resistance, or static pressure at a particular flow rate, that would allow codes and standards to reference a particular performance specification and allow contractors and homeowners to make informed purchases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
DOE OSTI2012

Demand Response as a System Reliability Resource

The Demand Response as a System Reliability Resource project consists of six technical tasks: • Task 2.1. Test Plan and Conduct Tests: Contingency Reserves Demand Response (DR) Demonstration—a pioneering demonstration of how existing utility load-management assets can provide an important electricity system reliability resource known as contingency reserve. • Task 2.2. Participation in Electric Power Research Institute (EPRI) IntelliGrid—technical assistance to the EPRI IntelliGrid team in developing use cases and other high-level requirements for the architecture. • Task 2.3. Research, Development, and Demonstration (RD&D) Planning for Demand Response Technology Development—technical support to the Public Interest Energy Research (PIER) Program on five topics: Sub-task 1. PIER Smart Grid RD&D Planning Document; Sub-task 2. System Dynamics of Programmable Controllable Thermostats; Sub-task 3. California Independent System Operator (California ISO) DR Use Cases; Sub-task 4. California ISO Telemetry Requirements; and Sub-task 5. Design of a Building Load Data Storage Platform. • Task 2.4. Time Value of Demand Response—research that will enable California ISO to take better account of the speed of the resources that it deploys to ensure compliance with reliability rules for frequency control. • Task 2.5. System Integration and Market Research: Southern California Edison (SCE)—research and technical support for efforts led by SCE to conduct demand response pilot demonstrations to provide a contingency reserve service (known as non-spinning reserve) through a targeted sub-population of aggregated residential and small commercial customers enrolled in SCE’s traditional air conditioning (AC) load cycling program, the Summer Discount Plan. • Task 2.6. Demonstrate Demand Response Technologies: Pacific Gas and Electric (PG&E)—research and technical support for efforts led by PG&E to conduct a demand response pilot demonstration to provide non-spinning reserve through a targeted sub-population of aggregated residential customers enrolled in PG&E’s AC load curtailment program, the Smart AC™ Demand Response Program.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗
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↗