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At least 415 records · Page 23

Single-Site Metal Organic Complexes on Oxide Supports for Selective Alkane Functionalization

High levels of reaction selectivity for heterogeneous catalysis are generally difficult to achieve with traditional metal nanoparticle catalysts, due to the variety of metal binding sites available. In this project, we have developed a metal-ligand coordination strategy to form transition metal single-sites on high surface area supports as heterogeneous single-site catalysts. Metal centers can be atomically dispersed in the binding pockets of organic ligands on oxide supports. The systems have to be carefully designed so that tendencies for metal cluster formation or binding to surface defect sites are overcome by the attractive coordination environment provided by the organic ligand. This was confirmed by a comprehensive set of characterization methods, including XAS, XPS, XRD, TEM, and CO adsorption. Design and tuning of metal-support and support-ligand interactions were crucial for high structural uniformity. We demonstrate that supported metal-ligand SSCs are effective, recyclable catalysts for alkene hydrosilylation reactions. Compared with commercial homogeneous catalysts, they exhibit improved yield and selectivity, less metal aggregation and side reactions, and stronger tolerance with functionalized substrates. These results give some preliminary indication that coordination with organic ligands can improve activity and selectivity in metal/oxide heterogeneous catalysts.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Enhancements supporting IC usage of PEM libraries on next-gen platforms

This milestone reports on the culmination of several years of effort by multiple PEM support software development teams to provide capabilities for use in LLNL-developed integrated codes on next-gen ASC platforms, including GPU support. We will provide a survey of relevant Application Program Interfaces (API) that are required to support LLNL IC code capability on relevant architectures, with a focus on Sierra and El Capitan. We will identify and summarize all dependencies between PEM supported libraries and IC supported physics codes. We will provide an assessment of algorithmic improvements that have been deployed, as well as future developments that are required to complete the GPU porting efforts. This assessment will include a description of programming models adopted by each of the PEM projects, distinct algorithmic challenges for each of the capabilities, and information about sharing GPU memory between the APIs and host codes. We will develop targeted test problems to assess computational performance. Finally, this milestone will result in identification of gaps in our effort to assist the LLNL ASC program in prioritization of effort for porting software to El Capitan.

97 MATHEMATICS AND COMPUTING↗

Numerical Simulations of Geologic Storage Reservoir Management to Support Risk Mitigation Evaluation

This report provides a detailed description of a set of numerical simulations that represent reservoir behavior over time in response to different operational decision scenarios for detection of potential leakage and reduction or avoidance of leakage impact at a hypothetical geological carbon storage (GCS) site. These simulations serve as the basis for a series of GCS leakage risk forecasts that are to be developed using the National Risk Assessment Partnership’s Open-Source Integrated Assessment Model (NRAP-Open-IAM), and a demonstration of a simple decision support workflow for evaluation of mitigation strategies based on results of those system model forecasts. This risk assessment and decision support study is forthcoming. Four injection scenarios were considered: a constant rate carbon dioxide (CO 2 ) injection case (base case), a case with CO 2 injection rate adjustment, a case with early termination of injection operations, and a case with brine extraction. CO 2 injection operations were controlled to ensure that the pressure transient remains below the defined manageable reservoir fracture pressure, with consideration shown to hypothetical locations within the modeled spatial domain where the overburden was weaker and lower transient pressure increases were allowable. Additionally, a brine extraction alternative was considered as a reservoir management and risk mitigation option to reduce reservoir pressure, steer the plume away from any hypothetical geohazard such as fault as needed, and enhance storage capacity. Such operational actions contribute to risk management overtime. This study explores the potential utility of reservoir management for risk reduction at GCS sites. This study shows that the injection design may modify the time to CO 2 breakthrough at a legacy well; in particular, these results show that brine extraction can add value for mitigating risk both by delaying leakage and reducing pressure build-up. For the scenario considered, both pressure plots and pressure distributions demonstrate that pressure build-up was decreased by 3% with brine extraction. Additionally, extraction of brine afforded enhancement of CO 2 storage capacity by 5% compared to the base case. These findings suggest that brine extraction has substantial potential to steer the risk-related reservoir effects away from known geohazards (e.g., faults and legacy wells) by conducting pressure transient effects and CO 2 plume movement toward the production well. Injection rate adjustment scenarios considered in this study show potential value for managing both reservoir pressure transients and CO 2 plume behavior. Operational actions for reducing injection and/or early termination of injection (as compared to the base case), however, require careful design; tailoring both the extent and timing of injection rate adjustment over the injection and post-injection operational period must be thoroughly planned to balance maximizing storage and minimizing subsurface environmental risk. The study also gives preliminary consideration to the effectiveness that monitoring strategy may play in providing useful information to inform reservoir management decisions for risk reduction. Two types of monitoring were considered: 1) pressure build-up or pressure transient; and 2) potential leakage detection from a CO 2 mass or plume. Four hypothetical legacy wells, two plugged and two abandoned, were placed in the model domain. Monitoring along these wells was measured over time in individual stacked reservoir formations and shale formations to support risk mitigation decisions, especially operational decisions that assisted in risk reduction. These simulations will serve as the basis for a series of GCS leakage risk forecasts that are to be developed using NRAP’s Open-IAM, and demonstration of a simple decision support workflow for comparative assessment of mitigation alternatives based on results of those system model forecasts. This risk assessment and decision support study is forthcoming.

54 ENVIRONMENTAL SCIENCES↗

BWR Spent Nuclear Fuel Acquisition and Testing to Support DOE-NE High Burnup Spent Fuel Data Project

The Office of Spent Fuel and Waste Disposition (SFWD) within the US Department of Energy (DOE) Office of Nuclear Energy (NE) established the Spent Fuel and Waste Science and Technology (SFWST) campaign to conduct research and development (R&D) activities related to the storage, transportation, and disposal of spent nuclear fuel (SNF) and high-level radioactive waste. The SFWST program was created within SFWD to address issues of extended or long-term SNF storage and transportation. Some near-term objectives of SFWST are to use a science-based, engineering-driven approach to: Support the enhancement of the technical bases to support the continued safe and secure dry storage of SNF for extended periods; Support the enhancement of the technical bases for retrieving SNF after extended dry storage; Support the enhancement of the technical bases for transporting high burnup (HBU) fuel and transporting low burnup fuel and HBU fuel after dry storage DOE-NE, in partnership with the Electric Power Research Institute, developed the High Burnup Spent Fuel Data Project to perform a large-scale demonstration and laboratory-scale testing of HBU pressurized water reactor (PWR) fuels (exceeding 45 gigawatt-days per metric ton of uranium [GWd/MTU]). Under this project, 25 sister rods—which are rods that have the same design, power histories, and other characteristics—were removed from assemblies at the North Anna Nuclear Power Station and sent to Oak Ridge National Laboratory (ORNL) in January 2016. ORNL performed detailed nondestructive examination (NDE) on all 25 rods. The NDE consisted of visual examinations, gamma and neutron scanning, profilometry and rod length measurements, and eddy current examinations. After completing the NDE, 10 of the sister rods were delivered to Pacific Northwest National Laboratory (PNNL) in a NAC International, Inc. legal-weight truck cask in September 2018 for destructive examination (DE). To date, SFWD work has focused on the PWR fuel that is part of the Sister Rod Test program. No boiling water reactor (BWR) fuel has been tested in the program, and the data needs that were identified for the PWR fuel have not been collected for BWR fuel. The goal to obtain six to nine BWR rods and test them at ORNL will support closing this important data gap. BWR fuel comprises approximately 56% of the total fuel assemblies currently in storage at nuclear power plants in the United States. BWR nuclear fuel and cladding designs and manufacturing are significantly different from PWRs. Differences include the following: BWR fuel pellets are larger than PWR pellets; Variations of Zircaloy-2 (including liners) are used instead of the Zircaloy-4 cladding materials used in PWRs; Clad manufacturing and stress-relief processes are different between PWRs and BWRs; The fuel rod dimensions are different because larger rod diameters and thicker cladding are used in BWRs; BWR fuel typically has lower internal rod pressures and sees vastly different operating conditions than PWR fuel (i.e., two-phase flow); BWR assemblies are “canned,” meaning each assembly is surrounded by a metal fuel channel; BWR cladding is often composed of an inner pure Zr liner that has widely different mechanical properties than the Zircaloy-2 alloy and exhibits a stronger affinity for hydrogen; The BWR SNF generally has more total hydrogen in the cladding/liner than typical PWR fuel; The construction of the PWR and BWR assemblies is vastly different; BWR rods are solidly attached to the assembly nozzles and experience a much different vibration and shock load than PWR rods, which are “floating” within a grid system attached to guide tubes, and the rods sit loosely on the bottom end plates. These numerous differences will affect the way the BWR SNF responds under dry storage preparation processes (e.g., vacuum drying) and during transportation. The results collected in the PWR experimental program must be compared with a subset of similar data collected on BWR SNF to establish a technical basis for whether the larger PWR database is sufficient to bound the BWR SNF end-of-life conditions as is currently assumed for several fuel/clad properties. Changes that occur in both fuel types at HBU could exacerbate any mechanical property differences. As the fuel burnup increases, several changes occur that might affect the performance of the fuel, cladding, and assembly hardware in storage and transportation. These changes include increased cladding corrosion layer thickness, increased cladding hydrogen content, increased cladding creep strains, increased fission gas release, and the formation of the HBU structure at the surface of the fuel pellets. The Nuclear Regulatory Commission (NRC) limits the current maximum rod-averaged burnup to 62 GWd/MTU due to these changes and the lack of data at higher burnups.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Utilization of the LMP Methodology in Support of the VTR Conceptual Safety Design Report

The Versatile Test Reactor (VTR) is a fast spectrum test reactor currently being developed in the United States under the direction of the US Department of Energy (DOE), Office of Nuclear Energy. The VTR is utilizing a risk-informed performance-based (RIPB) approach for design support and authorization by the DOE, derived from recent efforts by the US industry led Licensing Modernization Project (LMP). This document contains an overview of the implementation of the LMP approach in support of the VTR Conceptual Safety Design Report (CSDR). The work reported here is the result of studies supporting a VTR conceptual design, cost, and schedule estimate for DOE-NE to make a decision on procurement. As such, it is preliminary. The VTR RIPB authorization approach utilizes information from the probabilistic risk assessment (PRA), coupled with deterministic analyses, to aid in decision-making regarding the identification and categorization of safety basis events (SBEs), the classification of structures, systems, and components (SSCs), and the evaluation of defense-in-depth (DID) adequacy. As part of initial reactor design efforts, a VTR conceptual design PRA was developed to support the RIPB process, which focused on at-power internal events, with scoping analyses for seismic and sodium fire hazards. In addition to supporting numerous design studies, preliminary results from the RIPB approach and the VTR conceptual design PRA were utilized as the basis of the VTR CSDR. The initial identification and categorization of SBEs, SSC classification, and DID evaluation were contained within the CSDR, which was submitted to DOE in 2019 as part of the CD-1 submittal package. Following review, DOE approved the CSDR in April 2020 and the CD-1 package in late 2020. Valuable experience was gained through the implementation of the RIPB approach for design and authorization during the VTR conceptual design phase, which is summarized in this document. To the extent possible, this experience has been shared with the advanced reactor industry, through publications and participation in licensing tabletops, in addition to informing DOE:NE advanced reactor regulatory development efforts. Furthermore, the approval of the CSDR by the DOE as part of CD-1 represents a significant milestone in the use of RIPB approaches for advanced reactor licensing.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Purpose, Design, and Analysis of the NSTX-U Centerstack Casing Lateral Support Shims

The National Spherical Torus Experiment Upgrade (NSTX-U) centerstack casing surrounds the central magnet core of NSTXU. It provides the inner vacuum boundary of the plasma chamber and supports the radially inboard plasma facing components lining the plasma chamber. The casing is supported like a cantilever, fixed at the lower flange by a connection to the TF Bundle through a G-10 ring. It is flexibly supported at the top by bellows, and insulated shims intended to react the largest part of the inventory of the disruption loads at the upper support, thereby protecting the upper and lower connections from excessive loads. A large part of the qualification of the casing and tiles requires addressing and quantifying disruption loads. These have been estimated based on extensions of the behavior of NSTX during its run period roughly 15 years ago. Structural qualification of the Upgrade used these estimates of the loading as input to calculations to demonstrate adequacy for a “most probable” disruption. The estimates are included in a requirements document to guide conservative design of all components loaded by disruptions. However, the changes made for the upgrade made the extrapolation of disruption behavior uncertain. Disruptions include axisymmetric loading from axisymmetric currents induced in the vessel shells. In addition, more complex currents called Halo currents are a result of plasma poloidal currents impinging on the casing. The halo currents add another layer of uncertain behavior and net lateral loading to the casing. As a result, NSTX-U is equipped with a number of instruments intended to assess the nature and severity of disruptions. The casing shims are required for lateral support of the casing, but these have also been converted to load cells to provide another measure of the magnitude of symmetric and asymmetric loading. Some of the logic in the development of the requirements document are presented. Electromagnetic analysis of axisymmetric and halo loading is described. Global simulations of the casing transient dynamic response, and local analysis and testing of the shim/load cell are included. The shim load cells and other instrumentation will be an important guide in planning NSTX-U experiments beyond its next run period expected in late 2026 or early 2027.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Nanowire-Based Materials as Coke-Resistant Catalyst Supports for Dry Methane Reforming

In this paper, nanowire-supported catalysts loaded with nickel are shown to be coke resistant compared to nanoparticle-supported catalysts. Specifically, Ni-loaded titania-based nanowire catalysts were tested with the dry methane reforming process in a laboratory-scale continuous packed-bed atmospheric reactor. The CO 2 conversion rate stayed above 90% for over 30 h on stream under coke-promoting conditions, such as high flow rates, low temperatures, and a high ratio of CH 4 to CO 2 . The coke (C x H y , x>>y) on the spent catalyst surface for both nanowire- and nanoparticle-supported catalysts was characterized by TGA, temperature-programmed reduction (TPR), and electron microscopy (SEM/TEM/EDS), and it was revealed that the types of carbon species present and their distribution over the morphology-enhanced materials played a major role in the deactivation. The CO 2 conversion activity of Ni supported on titania nanoparticles was reduced from ~80% to less than 72% in 30 h due to the formation of a graphitic coke formation. On the other hand, Ni particles supported on nanowires exhibited cube-octahedral morphologies, with a high density of non- (111) surface sites responsible for the increased activity and reduced graphitic coke deposition, giving a sustained and stable catalytic activity during a long time-on-stream experiment.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Thermal support for space shuttle

The results are reported of research to provide thermal support in the design of the thermal protection system (TPS) of the space shuttles. Tasks discussed include: generation of temperature boundaries for space shuttle orbiter and booster during atmospheric reentry, leading edge and nose cap materials, TPS panel test facility support, thermal test facility support, and hot gas test facility support. A summary of thermal models generated for the space shuttle support is included.

Dean, W. G.↗

Flight software requirements and design support system

The desirability and feasibility of computer-augmented support for the pre-implementation activities occurring during the development of flight control software was investigated. The specific topics to be investigated were the capabilities to be included in a pre-implementation support system for flight control software system development, and the specification of a preliminary design for such a system. Further, the pre-implementation support system was to be characterized and specified under the constraints that it: (1) support both description and assessment of flight control software requirements definitions and design specification; (2) account for known software description and assessment techniques; (3) be compatible with existing and planned NASA flight control software development support system; and (4) does not impose, but may encourage, specific development technologies. An overview of the results is given.

Riddle, W. E.↗

Metric half-span model support system

A model support system used to support a model in a wind tunnel test section is described. The model comprises a metric, or measured, half-span supported by a nonmetric, or nonmeasured half-span which is connected to a sting support. Moments and forces acting on the metric half-span are measured without interference from the support system during a wind tunnel test.

Jackson, C. M., Jr.↗

Telecommunications and data acquisition systems support for Voyager missions to Jupiter and Saturn, 1972-1981, prelaunch through Saturn encounter

The Deep Space Network has supported the Voyager Project for approximately nine years, during which time implementation, testing, and operational support was provided. Four years of this time involved testing prior to launch; the final five years included network operations support and additional network implementation. Intensive and critical support intervals included launch and four planetary encounters. The telecommunications and data acquisition support for the Voyager Missions to Jupiter and Saturn are summarized.

Traxler, M. R.↗

Extended mission life support systems

The life support systems employed in manned space missions have generally been based on the use of expendables, such as, for instance, liquid oxygen. For the conducted space missions, such systems have advantages related to volume, weight, and economy of power consumption. However, this situation will change in connection with Shuttle Orbiter missions of extended duration, permanent manned facilities in low-earth orbit, and ultimately manned planetary vehicles. A description is given of suitable regenerative life support systems for such extended manned space missions. Attention is given to advanced life support systems technology, air revitalization, CO2 reduction, oxygen generation, nitrogen generation, trace contaminant control, air revitalization system integration, control/monitor instrumentation, water reclamation, solid waste management, manned testing and life support integration, an enhanced duration orbiter, a space operations center, manned interplanetary life support systems, and future development requirements.

Quattrone, P. D.↗

Environmental control medical support team

The activities conducted in support of the Environmental Control and Life Support Team during December 7, 1987 through September 30, 1988 are summarized. The majority of the ongoing support has focused on the ECLSS area. Through a series of initial meetings with the ECLSS team and technical literature review, an initial list of critical topics was developed. Subtasks were then identified or additional related tasks received as action items from the ECLSS group meetings. Although most of the efforts focused on providing MSFC personnel with information regarding specific questions and problems related to ECLSS issues, other efforts regarding identifying an ECLSS Medical Support Team and constructing data bases of technical information were also initiated and completed. The specific tasks are as follows: (1) Provide support to the mechanical design and integration of test systems as related to microbiological concerns; (2) Assist with design of Human Subjects Test Protocols; (3) Interpretation and recommendations pertaining to air/water quality requirements; (4) Assist in determining the design specifications required as related to the Technical Demonstration Program; (5) Develop a data base of all microorganisms recovered from previous subsystem testing; (6) Estimates of health risk of individual microbes to test subjects; (7) Assist with setting limits for safety of test subjects; (8) Health monitoring of test subjects; (9) Assist in the preparation of test plans; (10) Assist in the development of a QA/QC program to assure the validity, accuracy and precision of the analyses; and (11) Assist in developing test plans required for future man in the loop testing.

Crump, William J.↗

Diagnostics in the Extendable Integrated Support Environment (EISE)

Extendable Integrated Support Environment (EISE) is a real-time computer network consisting of commercially available hardware and software components to support systems level integration, modifications, and enhancement to weapons systems. The EISE approach offers substantial potential savings by eliminating unique support environments in favor of sharing common modules for the support of operational weapon systems. An expert system is being developed that will help support diagnosing faults in this network. This is a multi-level, multi-expert diagnostic system that uses experiential knowledge relating symptoms to faults and also reasons from structural and functional models of the underlying physical model when experiential reasoning is inadequate. The individual expert systems are orchestrated by a supervisory reasoning controller, a meta-level reasoner which plans the sequence of reasoning steps to solve the given specific problem. The overall system, termed the Diagnostic Executive, accesses systems level performance checks and error reports, and issues remote test procedures to formulate and confirm fault hypotheses.

Brink, James R.↗

Support trusses for large precision segmented reflectors: Preliminary design and analysis

Precision Segmented Reflector (PSR) technology is currently being developed for a range of future applications such as the Large Deployable Reflector. The structures activities at NASA-Langley are outlined in support of the PSR program. Design concepts are explored for erectable and deployable support structures which are envisioned to be the backbone of these precision reflectors. Important functional requirements for the support trusses related to stiffness, mass, and surface accuracy are reviewed. Proposed geometries for these structures and factors motivating the erectable and deployable designs are discussed. Analytical results related to stiffness, dynamic behavior, and surface accuracy are presented and considered in light of the functional requirements. Results are included for both a 4-meter-diameter prototype support truss which is currently being designed as the Test Bed for the PSR technology development program, and for two 20-meter support structures.

Collins, Timothy J.↗

DAWN (Design Assistant Workstation) for advanced physical-chemical life support systems

This paper reports the results of a project supported by the National Aeronautics and Space Administration, Office of Aeronautics and Space Technology (NASA-OAST) under the Advanced Life Support Development Program. It is an initial attempt to integrate artificial intelligence techniques (via expert systems) with conventional quantitative modeling tools for advanced physical-chemical life support systems. The addition of artificial intelligence techniques will assist the designer in the definition and simulation of loosely/well-defined life support processes/problems as well as assist in the capture of design knowledge, both quantitative and qualitative. Expert system and conventional modeling tools are integrated to provide a design workstation that assists the engineer/scientist in creating, evaluating, documenting and optimizing physical-chemical life support systems for short-term and extended duration missions.

Rudokas, Mary R.↗

Support trusses for large precision segmented reflectors - Preliminary design and analysis

The Precision Segmented Reflector (PSR) primary structures plan is outlined. Geometries and design considerations for erectable and deployable reflector support structures are discussed. Support truss requirements and goals for the PSR are given, and the results of static and dynamic analyses of a prototype four meter diameter structure are presented. In addition, similar results are presented for two 20-meter diameter support trusses. Implications of the analyses for the PSR program are considered and the formulation and limitations of current PSR finite element models are discussed. It is shown that if the secondary optical system is supported by a simple tripod design, the first six vibration modes are likely to be dominated by the secondary system. The 20-meter diameter support trusses are found to be quite stiff for structures of such large size.

Collins, Timothy J.↗

Goodard Space Flight Center/Wallops Flight Facility airborne geoscience support capability

Goddard Space Flight Center's Wallops Facility (GSFC/WFF), operates six aircraft which are used as airborne geoscience platforms. The aircraft complement consists of two UH-1B helicopters, one twin engine Skyvan, one twin jet T-39, and two four engine turboprop aircraft (P-3 and Electra) offering the research community a wide range of payload, altitude, speed, and range capabilities. WFF's support to a principal investigator include mission planning of all supporting elements, installation of equipment on the aircraft, fabrication of brackets, and adapters as required to adapt payloads to the aircraft, and planning of mission profiles to meet science objectives. The flight regime includes local, regional, and global missions. The WFF aircraft serve scientists at GSFC, other NASA centers, other government agencies, and universities. The WFF mode of operation features the walk on method of conducting research projects. The principal investigator requests aircraft support by letter to WFF and after approval is granted, works with the assigned mission manager to plan all phases of project support. The instrumentation is installed in WFF electronics racks, mounted on the aircraft, the missions are flown, and the equipment is removed when the scientific objectives are met. The principal investigator reimburses WFF for each flight hours, any overtime and travel expenses generated by the project, and for other mission-related expenses such as aircraft support services required at deployment bases.

Navarro, Roger L.↗