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Optically-based Sensor System for Critical Nuclear Facilities Post-Event Seismic Structural Assessment

The U.S. Department of Energy (DOE) has ownership and operational responsibility for a large enterprise of nuclear facilities that provide essential functions to DOE missions ranging from national security to discovery science and energy research. These facilities support a number of DOE programs and offices including the National Nuclear Security Administration, Office of Science, and Office of Environmental Management. With many unique and “one of a kind” functions, these facilities represent a tremendous national investment, and assuring their safety and integrity is fundamental to the success of a breadth of DOE programs. Many DOE critical facilities are located in regions with significant natural phenomenon hazards including major earthquakes and DOE has been a leader in developing standards for the seismic analysis of nuclear facilities. Attaining and sustaining excellence in nuclear facility design and management must be a core competency of the DOE. An important part of nuclear facility management is the ability to monitor facilities and rapidly assess the response and integrity of the facilities after any major upset event. Experience in the western U.S. has shown that understanding facility integrity after a major earthquake is a significant challenge which, lacking key data, can require extensive effort and significant time. In the work described in the attached report, a transformational approach to earthquake monitoring of facilities is described and demonstrated. An entirely new type of optically-based sensor that can directly and accurately measure the earthquake-induced deformations of a critical facility has been developed and tested. This report summarizes large-scale shake table testing of the sensor concept on a representative steel frame building structure, and provides quantitative data on the accuracy of the sensor measurements.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

The Light Microscopy Module: An On-Orbit Multi-User Microscope Facility

The Light Microscopy Module (LMM) is planned as a remotely controllable on-orbit microscope subrack facility, allowing flexible scheduling and operation of fluids and biology experiments within the Fluids and Combustion Facility (FCF) Fluids Integrated Rack (FIR) on the International Space Station (ISS). The LMM will be the first integrated payload with the FIR to conduct four fluid physics experiments. A description of the LMM diagnostic capabilities, including video microscopy, interferometry, laser tweezers, confocal, and spectrophotometry, will be provided.

Motil, Susan M.↗

Measurement of the D → K - π + π + π- and D → K - π + π 0 coherence factors and average strong-phase differences in quantum-correlated $ D\overline{D} $ decays

The decays D → K - π + π + π - and D → K - π + π 0 are studied in a sample of quantum-correlated \( D\overline{D} \) pairs produced through the process e + e - → ψ (3770) → \( D\overline{D} \) , exploiting a data set collected by the BESIII experiment that corresponds to an integrated luminosity of 2.93 fb - 1 . Here D indicates a quantum superposition of a D 0 and a \( {\overline{D}}^0 \) meson. By reconstructing one neutral charm meson in a signal decay, and the other in the same or a different final state, observables are measured that contain information on the coherence factors and average strong-phase differences of each of the signal modes. These parameters are critical inputs in the measurement of the angle γ of the Unitarity Triangle in B - → DK - decays at the LHCb and Belle II experiments. The coherence factors are determined to be R K 3 π = \( {0.52}_{-0.10}^{+0.12} \) and \( {R}_{K{\pi \pi}^0} \) = 0 . 78 ± 0 . 04, with values for the average strong-phase differences that are \( {\delta}_D^{K3\pi }=\left({167}_{-19}^{+31}\right){}^{\circ} \) and \( {\delta}_D^{K{\pi \pi}^0}=\left({196}_{-15}^{+14}\right){}^{\circ} \) , where the uncertainties include both statistical and systematic contributions. The analysis is re-performed in four bins of the phase-space of the D → K - π + π + π - to yield results that will allow for a more sensitive measurement of γ with this mode, to which the BESIII inputs will contribute an uncertainty of around 6°.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Calibration of ITER Instant Power Neutron Monitors: Recommended Scenario of Experiments at the Reactor

Instant power is a key parameter of the ITER. Its monitoring with an accuracy of a few percent is an urgent and challenging aspect of neutron diagnostics. In a series of works published in Problems of Atomic Science and Technology, Series: Thermonuclear Fusion under a common title, the step-by-step neutronics analysis was given to substantiate a calibration technique for the DT and DD modes of the ITER. A Gauss quadrature scheme, optimal for processing “expensive” experiments, is used for numerical integration of {sup 235}U and {sup 238}U detector responses to the point sources of 14-MeV neutrons. This approach allows controlling the integration accuracy in relation to the number of coordinate mesh points and thus minimizing the number of irradiations at the given uncertainty of the full monitor response. In the previous works, responses of the divertor and blanket monitors to the isotropic point sources of DT and DD neutrons in the plasma profile and to the models of real sources were calculated within the ITER model using the MCNP code. The neutronics analyses have allowed formulating the basic principles of calibration that are optimal for having the maximum accuracy at the minimum duration of in situ experiments at the reactor. In this work, scenarios of the preliminary and basic experimental ITER runs are suggested on the basis of those principles. It is proposed to calibrate the monitors only with DT neutrons and use correction factors to the DT mode calibration for the DD mode. It is reasonable to perform full calibration only with {sup 235}U chambers and calibrate {sup 238}U chambers by responses of the {sup 235}U chambers during reactor operation (cross-calibration). The divertor monitor can be calibrated using both direct measurement of responses at the Gauss positions of a point source and simplified techniques based on the concepts of equivalent ring sources and inverse response distributions, which will considerably reduce the amount of measurements. It is shown that the monitor based on the average responses of the horizontal and vertical neutron chambers remains spatially stable as the source moves and can be used in addition to the staff monitor at neutron fluxes in the detectors four orders of magnitude lower than on the first wall, where staff detectors are located. Owing to low background, detectors of neutron chambers do not need calibration in the reactor because it is actually determination of the absolute detector efficiency for 14-MeV neutrons, which is a routine out-of-reactor procedure.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Autonomous Command Operations of the WIRE Spacecraft

This paper presents operational innovations which will be introduced on NASA's Wide Field Infrared Explorer (WIRE) mission. These innovations include an end-to-end design architecture for an autonomous commanding capability for the uplink of command loads during unattended station contacts. The WIRE mission is the fifth and final mission of NASA's Goddard Space Flight Center Small Explorer (SMEX) series to be launched in March of 1999. Its primary mission is the targeting of deep space fields using an ultra-cooled infrared telescope. Due to its mission design WIRE command loads are large (approximately 40 Kbytes per 24 hours) and must be performed daily. To reduce the cost of mission operations support that would be required in order to uplink command loads, the WIRE Flight Operations Team has implemented all autonomous command loading capability. This capability allows completely unattended operations over a typical two-day weekend period. The key factors driving design and implementation of this capability were: 1) integration with already existing ground system autonomous capabilities and systems, 2) the desire to evolve autonomous operations capabilities based upon previous SMEX operations experience - specifically the TRACE mission, 3) integration with ground station operations - both autonomous and man-tended, 4) low cost and quick implementation, and 5) end-to-end system robustness. A trade-off study was performed to examine these factors in light of the low-cost, higher-risk SMEX mission philosophy. The study concluded that a STOL (Spacecraft Test and Operations Language) based script, highly integrated with other scripts used to perform autonomous operations, was best suited given the budget and goals of the mission. Each of these factors is discussed in addition to use of the TRACE mission as a testbed for autonomous commanding prior to implementation on WIRE. The capabilities implemented on the WIRE mission are an example of a low-cost, robust, and efficient method for autonomous command loading when implemented with other autonomous features of the ground system. They call be used as a design and implementation template by other missions interested in evolving toward autonomous and lower cost operations. Additionally, the WIRE spacecraft will be used as an operational testbed upon completion of its nominal mission later in 1999. One idea being studied is advanced on-board modeling. Advanced on-board modeling techniques will be used to more efficiently display the spacecraft state. This health and safety information could be used by engineers on the ground or could be used by tile spacecraft for its own assessments. Additionally, this same state information could also be input into the event-driven scheduling system, as the scheduling system will need to assess the spacecraft state before undertaking a new activity. Advanced modeling techniques are being evaluated for a number of NASA missions including The Next Generation Space Telescope (NGST), which is scheduled to launch in 2007.

Walyus, Keith↗

Safety assurance of complex integrated systems

Interface hazard analysis (IHA) is used as a 'tool' to systematically assess safety for the integration of a diverse set of experiments and payload hardware into the Spacelab carrier which flies in the Space Shuttle's Orbiter cargo bay. The IHA when performed by a thorough analysis provides safety assurance of complex integrated systems by systematically linking analysis efforts performed by the organizations thus providing the respective elements to be integrated into an objective, unique analysis. Particular attention is given to verification methods of the safety assurance of the Spacelab carrier and its experiment payload for which the IHA was performed.

Abrignani, Vincent A.↗

Scaling Analysis Techniques to Establish Experimental Infrastructure for Component, Subsystem, and Integrated System Testing

Hybrid energy system research has the potential to expand the application for nuclear reactor technology beyond electricity. The purpose of this research is to reduce both technical and economic risks associated with energy systems of the future. Nuclear hybrid energy systems (NHES) mitigate the variability of renewable energy sources, provide opportunities to produce revenue from different product streams, and avoid capital inefficiencies by matching electrical output to demand by using excess generation capacity for other purposes when it is available. An essential step in the commercialization and deployment of this advanced technology is scaled testing to demonstrate integrated dynamic performance of advanced systems and components when risks cannot be mitigated adequately by analysis or simulation. Further testing in a prototypical environment is needed for validation and higher confidence. This research supports the development of advanced nuclear reactor technology and NHES, and their adaptation to commercial industrial applications that will potentially advance U.S. energy security, economy, and reliability and further reduce carbon emissions. Experimental infrastructure development for testing and feasibility studies of coupled systems can similarly support other projects having similar developmental needs and can generate data required for validation of models in thermal energy storage and transport, energy, and conversion process development. Experiments performed in the Systems Integration Laboratory will acquire performance data, identify scalability issues, and quantify technology gaps and needs for various hybrid or other energy systems. This report discusses detailed scaling (component and integrated system) and heat transfer figures of merit that will establish the experimental infrastructure for component, subsystem, and integrated system testing to advance the technology readiness of components and systems to the level required for commercial application and demonstration under NHES.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Materials in Extremes [Slides]

Goals: Realization of advanced predictive models that capture aspects of processing structure-properties-performance (PSPP) in ways that build on scale bridging, data science, and transformational physics insights from experiments; Based on a robust and seamless integration of sample manufacturing, characterization (pre- and post-mortem), theory and simulation, and novel experiments; Ultimately we want to be able to reliably predict performance, and control the functionality of materials in extreme environments.

36 MATERIALS SCIENCE↗

Electronic structure investigation of atomic layer deposition ruthenium(oxide) thin films using photoemission spectroscopy

Analyzing and manipulating the electronic band line-up of interfaces in novel micro- and nanoelectronic devices is important to achieve further advancement in this field. Such band alignment modifications can be achieved by introducing thin conformal interfacial dipole layers. Atomic layer deposition (ALD), enabling angstrom-precise control over thin film thickness, is an ideal technique for this challenge. Ruthenium (Ru{sup 0}) and its oxide (RuO{sub 2}) have gained interest in the past decade as interfacial dipole layers because of their favorable properties like metal-equivalent work functions, conductivity, etc. In this study, initial results of the electronic structure investigation of ALD Ru{sup 0} and RuO{sub 2} films via photoemission spectroscopy are presented. These experiments give insight into the band alignment, growth behavior, surface structure termination, and dipole formation. The experiments were performed in an integrated vacuum system attached to a home-built, stop-flow type ALD reactor without exposing the samples to the ambient in between deposition and analysis. Bis(ethylcyclopentadienyl)ruthenium(II) was used as precursor and oxygen as reactant. The analysis chamber was outfitted with X-ray photoemission spectroscopy (LIXPS, XPS). The determined growth modes are consistent with a strong growth inhibition situation with a maximum average growth rate of 0.21 Å/cycle for RuO{sub 2} and 0.04 Å/cycle for Ru.{sup 0} An interface dipole of up to −0.93 eV was observed, supporting the assumption of a strongly physisorbed interface. A separate experiment where the surface of a RuO film was sputtered suggests that the surface is terminated by an intermediate, stable, non-stoichiometric RuO{sub 2}/OH compound whose surface is saturated with hydroxyl groups.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Measurement of the Inclusive Jet Cross Section in pp Collisions at {radical}(s)=7 TeV

The inclusive jet cross section is measured in pp collisions with a center-of-mass energy of 7 TeV at the Large Hadron Collider using the CMS experiment. The data sample corresponds to an integrated luminosity of 34 pb{sup -1}. The measurement is made for jet transverse momenta in the range 18-1100 GeV and for absolute values of rapidity less than 3. The measured cross section extends to the highest values of jet p{sub T} ever observed and, within the experimental and theoretical uncertainties, is generally in agreement with next-to-leading-order perturbative QCD predictions.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Discovery of Manganese-Based Solar Fuel Photoanodes via Integration of Electronic Structure Calculations, Pourbaix Stability Modeling, and High-Throughput Experiments

The solar photoelectrochemical generation of hydrogen and carbon-containing fuels comprises a critical energy technology for establishing sustainable energy resources. The photoanode, which is responsible for solar-driven oxygen evolution, has persistently limited technology advancement due to the lack of materials that exhibit both the requisite electronic properties and operational stability. Efforts to extend the lifetime of solar fuel devices increasingly focus on mitigating corrosion in the highly oxidizing oxygen evolution environment, motivating our development of a photoanode discovery pipeline that combines electronic structure calculations, Pourbaix stability screening, and high-throughput experiments. By applying the pipeline to ternary metal oxides containing manganese, we have identified a promising class of corrosion-resistant materials and discover five oxygen evolution photoanodes, including the first demonstration of photoelectrocatalysis with Mn-based ternary oxides and the introduction of alkaline earth manganates as promising photoanodes for establishing a durable solar fuels technology.

10 SYNTHETIC FUELS↗

Normality of I-V Measurements Using ML

There is an increased interest in instrument-computing ecosystems (ICEs) that support science workflows empowered by AI-automated experiments and computations in diverse areas. In particular, electrochemistry ICEs are promising for accelerating the design and discovery of electrochemical systems for energy storage and conversion, by automating significant parts of workflows that combine synthesis and characterization experiments with computations. They require the integration of flow controllers, solvent containers, pumps, fraction collectors, and potentiostats, all connected to an electrochemical cell, as illustrated in Fig. 1. These are specialized instruments with custom software that is not originally designed for network integration. We developed network and software solutions for electrochemical workflows that adapt system and instrument settings in real-time for multiple rounds of experiments. In particular, we developed Python wrappers for Application Programming Interfaces (APIs) of instrument commands and Pyro client-server modules that enable them to be executed from remote computers. The entire workflow is orchestrated by a Jupyter notebook running on a remote computer.

Al Najjar, Anees↗

Electron Lenses for Experiments on Nonlinear Dynamics with Wide Stable Tune Spreads in the Fermilab Integrable Optics Test Accelerator

Recent developments in the study of integrable Hamiltonian systems have led to nonlinear accelerator lattice designs with two transverse invariants. These lattices may drastically improve the performance of high-power machines, providing wide tune spreads and Landau damping to protect the beam from instabilities, while preserving dynamic aperture. To test the feasibility of these concepts, the Integrable Optics Test Accelerator (IOTA) is being designed and built at Fermilab. One way to obtain a nonlinear integrable lattice is by using the fields generated by a magnetically confined electron beam (electron lens) overlapping with the circulating beam. The parameters of the required device are similar to the ones of existing electron lenses. We present theory, numerical simulations, and first design studies of electron lenses for nonlinear integrable optics.

43 PARTICLE ACCELERATORS↗

Molecular-level design of alternative media for energy-saving pilot-scale fibrillation of nanocellulose

The outstanding mechanical properties, light weight, and biodegradability of cellulose nanofibrils (CNFs) make them promising components of renewable and sustainable next-generation reinforced composite biomaterials and bioplastics. Manufacturing CNFs at a pilot scale requires disc-refining fibrillation of dilute cellulose fibers in aqueous pulp suspensions to shear the fibers apart into their nanodimensional forms, which is, however, an energy-intensive process. Here, in this study, we used atomistic molecular dynamics (MD) simulation to examine media that might facilitate the reduction of interactions between cellulose fibers, thereby reducing energy consumption in fibrillation. The most suitable medium found by the simulations was an aqueous solution with 0.007:0.012 wt.% NaOH:urea, and indeed this was found in pilot-scale experiments to reduce the fibrillation energy by ~21% on average relative to water alone. The NaOH:urea-mediated CNFs have similar crystallinity, morphology, and mechanical strength to those formed in water. The NaOH and urea act synergistically on CNFs to aid fibrillation but at different length scales. NaOH deprotonates hydroxyl groups leading to mesoscale electrostatic repulsion between fibrils, whereas urea forms hydrogen bonds with protonated hydroxyl groups thus disrupting interfibril hydrogen bonds. This suggests a general mechanism in which an aqueous medium that contains a strong base and a small organic molecule acting as a hydrogen-bond acceptor and/or donor may be effectively employed in materials processes where dispersion of deprotonable polymers is required. The study demonstrates how atomic-detail computer simulation can be integrated with pilot-scale experiments in the rational design of materials processes for the circular bioeconomy.

36 MATERIALS SCIENCE↗

Flux in a 1D-Reactor Cell by Response Matrix

Legacy computational reactor physics software tools and protocols currently used in support of the Advanced Test Reactor (ATR) core fuel management and safety assurance, and to some extent, experiment management, are inconsistent with the state of modern nuclear engineering practice. Thus, they are difficult, if not impossible, to verify and validate (V and V) according to modern standards. Furthermore, the legacy staff knowledge required for effective application of their application and protocols from the 1960's and 1970's is rapidly being lost due to staff turnover and retirements. In late 2009, the Idaho National Laboratory (INL) initiated a focused effort, the ATR Core Modeling Update Project, to address this situation through the introduction of modern high-fidelity transport theory based computational software and models to replace the legacy methods, with appropriate (V and V) protocols according to applicable national standards. The new computational tools include: - The 2-dimensional HELIOS deterministic transport code for integrated ATR core fuel and experiment management and Core Safety Analysis Package (CSAP) physics data generation. The MCNP5 3-dimensional stochastic simulation (Monte Carlo) code for verification and validation applications and for specialized ATR core analysis along with its longstanding traditional role in experiment support - The 2-dimensional deterministic NEWT transport code and the 3-dimensional KENO6 stochastic simulation code, with their SCALE-based support infrastructure for use in V and V applications and as supporting modules for sensitivity-uncertainty analysis via the TSUNAMI system. The ATTILA 3-dimensional discrete-ordinates transport code for specialized experiment support and possibly additional applications. Regardless of application, every neutron transport code, new or legacy, requires verification. The aim of this presentation is to provide a neutron transport benchmark for a simple 1D-reactor cell in plane geometry. The benchmark finds use as a standard of comparison for the codes listed above intended for the ATR upgrade. The method developed here is in contrast to the finite Fourier transform solution found in Ref. 1, which is limited to isotropic scattering and particularly difficult to numerically implement unless the total cross section is constant over the cell.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗