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Final Scientific/Technical Report, Multi-Sensor Inspection and Robotic Systems for Dry Storage Casks

Once removed from service, fuel rod assemblies are cooled in a pool and then placed in dry storage until they can be transported to a repository for disposal. The extended duration that used nuclear fuel spends in dry storage makes it prudent to be able to nondestructively inspect the dry storage casks. The degradation mechanisms of most concern are chloride-induced stress corrosion cracking of the stainless steel canister that confines the spent fuel and distributed cracking of the concrete in the overpack structure. Multi-sensor inspection and robotic systems were researched, developed, built, and tested. One system operates completely outside the cask to inspect the concrete. The other system, known as the PRINSE system, for Proactive Robotic Inspection of Nuclear Storage Enclosures, enters the cask through an outlet vent and navigates around the outer surface of the stainless steel canister. The PRINSE system delivers sensors for: (i) real-time characterization of the canister surface in order to assess whether chlorides are present, (ii) detecting the presence of cracks using shear-horizontal ultrasonic guided waves, (iii) measuring the temperature of the canister surface, and (iv) a gamma radiation counter. The four sensing modalities are applicable to any cask containing a stainless steel canister, however the robotic delivery system is designed specifically for Holtec’s HI-STORM family of casks. Horizontal axis casks have exposed concrete surfaces. A fully contactless air-coupled scanning ultrasonic test platform and a frequency-wavenumber domain data analysis method are used for these concrete structures. Analysis, numerical simulation and experimental results demonstrate that distributed cracks in concrete can be detected and cracked regions localized within a scanned region of concrete. Vertical axis casks (like the HI-STORM family) have steel-clad concrete overpacks. In a separate effort, a semi-coupled test platform and a guided wave attenuation-based data analysis method are used for disbond detection. Analysis, numerical simulation and experimental results show that the bonding conditions of steel-concrete interfaces can be quantitatively characterized using the guided wave signal analysis scheme. The PRINSE system is designed for vertical axis dry storage casks, specifically the HI-STORM family. The double pulse laser-induced breakdown spectroscopy (LIBS) system takes advantage of an optical fiber to deliver intense light to the canister surface that enables surface composition characterization in-situ in real time. Chlorine concentrations as low as 10 mg/m2 were detected on stainless steel. Additionally, a simpler laser setup was created to detect sodium as a surrogate for chlorine, and sodium was detectable when the chlorine concentration was as low as 0.5 mg/m2. The electromagnetic acoustic transducers (EMATs) enable detection of stress corrosion cracks. The EMATs generate shear-horizontal waves that propagate around the canister and are reflected by cracks enabling 100% of the canister weld lines to be inspected. The EMAT-based crack detection system was tested at the Pacific Northwest National Laboratory on a canister containing blind defects and was shown to detect the crack sizes it was designed to detect. The PRINSE system is a novel marsupial robot. The command center and winch outside the cask control the delivery arm and train of cars that traverse the outside of the canister from the cask ventilation system. The sensors are housed in the cargo bays of three cars that comprise the train, which is lowered to the bottom of the canister by the winch. Encoders on the winch enable the sensors to be delivered to a prescribed location, e.g., for re-inspection of a problem area. The PRINSE system does not mar the canister surface, can be extracted manually in the case of a power failure, and is designed for an elevated temperature and gamma radiation environment, although not all components of the prototype are made from the final materials. The PRINSE system was tested on a full canister that was placed inside a HI-STORM cask at the Holtec Manufacturing Division. It was also demonstrated on a full-height mockup at Penn State to a live audience.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Detecting the undetected: Dealing with non-routine events using advanced M&V meter-based savings approaches

In a rapidly evolving energy industry, utilities are dealing with new challenges like integrating distributed energy resources and market saturation for advanced lighting retrofits. Demand-side management programs require new approaches to meet aggressive carbon reduction goals. Advanced measurement & verification (M&V) is an energy data analysis method using smart meter data in combination with analytics to quantify energy efficiency project savings. Advanced M&V shows great promise for supporting next generation commercial programs including retro commissioning, multi-measure retrofits, and behavior change programs. Advanced M&V captures real project impacts at the meter, but sometimes non-project events can also impact consumption (so-called “non-routine events” [NREs]). Accurately detecting and accounting for NREs is important for reducing uncertainty of savings estimates and helps manage investment risk for different stakeholders (e.g., utilities, building owners, ESCOs). Recent research has shown promise in establishing data-driven techniques to identify and adjust for NREs, but fundamental questions still remain, such as: how can you distinguish NREs from acceptable noise in energy consumption profiles? What is the frequency and magnitude of NREs? Can their detection and adjustment be automated and streamlined? This paper documents the state of the art in NRE quantification and analysis. The results of research to quantify the frequency, nature and direction of NREs, and methods and metrics for determining a trigger threshold for taking action on NREs are presented. The paper also documents the latest technical guidance on application of NRE detection and adjustment methods.

Fernandes, Samuel↗

Subnanogram proteomics: Impact of LC column selection, MS instrumentation and data analysis strategy on proteome coverage for trace samples

One of the greatest challenges for mass spectrometry (MS)-based proteomics is the limited ability to analyze small samples. Here we investigate the relative contributions of liquid chromatography (LC), MS instrumentation and data analysis methods with the aim of improving proteome coverage for sample sizes ranging from 0.5 ng to 50 ng. We show that the LC separations utilizing 30-µm-i.d. columns increase signal intensity by >3-fold relative to those using 75-µm-i.d. columns, leading to 32% increase in peptide identifications. The Orbitrap Fusion Lumos mass spectrometer significantly boosted both sensitivity and sequencing speed relative to earlier generation Orbitraps (e.g., LTQ-Orbitrap), leading to a ~3× increase in peptide identifications and 1.7× increase in identified protein groups for 2 ng tryptic digests of bacterial lysate. The Match Between Runs algorithm of open-source MaxQuant software further increased proteome coverage by ~ 95% for 0.5 ng samples and by ~42% for 2 ng samples. The present platform is capable of identifying >3000 protein groups from tryptic digestion of cell lysates equivalent to 50 HeLa cells and 100 THP-1 cells (~10 ng total proteins), respectively, and >950 proteins from subnanogram bacterial and archaeal cell lysates. The present ultrasensitive LC-MS platform is expected to enable deep proteome coverage for subnanogram samples, including single mammalian cells.

Environmental Molecular Sciences Laboratory↗

Uncertainty in Experimental Data Analysis [Slides]

The talk was presented virtually to the Institute of Fundamental Technological Research, Polish Academy of Sciences in Warsaw, Poland, December 21, 2020. Astronomical observations, unusual medical cases, physics experiments too costly to repeat, natural events like earthquakes, hurricanes – all of them are impossible to repeat yet produce important scientific information not achievable in other way. This data should not be treated as qualitative, anecdotal evidence only. It should be analyzed in a mathematically rigorous way to produce quantitative experimental data. Analysis method for one-of-a-kind event data differs from analysis of a repeated experiment data. For a repeated experiments the experimental error includes a range of true values generated by repetitions of the experiment, and measurement uncertainty caused by detectors. They are independent. Repetitions of any experiment, as similar as achievable, always have built-in differences resulting in a range of the true values rather than in a single true experimental value. Measurement uncertainty depends on the measurement system only. Modern digital measurements have very small uncertainty, frequently smaller than the range of true experimental values resulting from built-in differences in the experiment repetitions. When data from one-of-a-kind experiment are analyzed, only the measurement uncertainty can be reported.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

nautilus : boosting Bayesian importance nested sampling with deep learning

ABSTRACT We introduce a novel approach to boost the efficiency of the importance nested sampling (INS) technique for Bayesian posterior and evidence estimation using deep learning. Unlike rejection-based sampling methods such as vanilla nested sampling (NS) or Markov chain Monte Carlo (MCMC) algorithms, importance sampling techniques can use all likelihood evaluations for posterior and evidence estimation. However, for efficient importance sampling, one needs proposal distributions that closely mimic the posterior distributions. We show how to combine INS with deep learning via neural network regression to accomplish this task. We also introduce nautilus, a reference open-source python implementation of this technique for Bayesian posterior and evidence estimation. We compare nautilus against popular NS and MCMC packages, including emcee, dynesty, ultranest, and pocomc, on a variety of challenging synthetic problems and real-world applications in exoplanet detection, galaxy SED fitting and cosmology. In all applications, the sampling efficiency of nautilus is substantially higher than that of all other samplers, often by more than an order of magnitude. Simultaneously, nautilus delivers highly accurate results and needs fewer likelihood evaluations than all other samplers tested. We also show that nautilus has good scaling with the dimensionality of the likelihood and is easily parallelizable to many CPUs.

97 MATHEMATICS AND COMPUTING↗

Hacking Limnology Workshop and DSOS22: Creating a Community of Practice for the Nexus of Data Science, Open Science, and the Aquatic Sciences

The 2nd Aquatic Ecosystem Modeling-Junior (AEMON-J) Hacking Limnology Workshop and 3rd Virtual Summit: Incorporating Data Science and Open Science in the Aquatic Sciences (DSOS) took place on 25–29 July 2022. These virtual events were developed to bring together researchers from diverse backgrounds to share developments in data-intensive research in the aquatic sciences and train participants in cutting-edge data analysis methods related to remote sensing, data pipelines, and modeling of aquatic ecosystems.

54 ENVIRONMENTAL SCIENCES↗

From Theory to Practice: Lessons Learned from an Advanced M&V Commercial Pilot

Advanced measurement & verification (M&V), or M&V 2.0, is an energy data analysis method using advanced metering infrastructure (AMI) data in combination with analytics to quantify energy efficiency project savings. Advanced M&V is viewed as an enabler for underutilized behavioral, retrocommissioning, and holistic multi-measure efficiency efforts, as quantifying savings for these programs with existing methods has typically been very challenging. Despite its promise, there are still several unanswered questions about the use of advanced M&V such as: How accurately can these tools quantify energy savings? How can advanced M&V satisfy regulatory requirements for rigorous savings estimates? Where and how does advanced M&V intersect with traditional impact evaluation and the principles of ‘embedded’ evaluation, measurement & verification (EM&V)? Pilots are being pursued in various regions and program contexts to address these research questions. However, results from these pilots are rarely made public, meaning that lessons may not be widely shared and the scope of analyses varies widely. The paper presents encouraging results from a recent advanced M&V pilot and discusses key process-related aspects such as managing AMI data and refining analysis methodologies. An approach to reviewing and classifying projects based on savings characteristics and magnitude is demonstrated, as a potential risk management tool. The authors also demonstrate how advanced M&V can identify underperforming projects and non-routine events in a timely manner. The paper also outlines lessons learned from this and other recent pilot activity and barriers to be overcome in moving toward the goal of widespread adoption of holistic meter-based programs.

Crowe, Eliot↗

Sample manipulation and data assembly for robust microcrystal synchrotron crystallography

With the recent developments in microcrystal handling, synchrotron microdiffraction beamline instrumentation and data analysis, microcrystal crystallography with crystal sizes of less than 10 µm is appealing at synchrotrons. However, challenges remain in sample manipulation and data assembly for robust microcrystal synchrotron crystallography. Here, the development of micro-sized polyimide well-mounts for the manipulation of microcrystals of a few micrometres in size and the implementation of a robust data-analysis method for the assembly of rotational microdiffraction data sets from many microcrystals are described. The method demonstrates that microcrystals may be routinely utilized for the acquisition and assembly of complete data sets from synchrotron microdiffraction beamlines.

59 BASIC BIOLOGICAL SCIENCES↗

For your consideration: Distance Analysis for PDV Data

An analytical study that discusses photonic Doppler velocimetry data analysis methods. The author intends to share this study with experts in this field at National Laboratory partners, e.g., LLNL, LANL, and Sandia. There is no plan to submit this work to a professional (public) conference or a journal publisher.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Simplified Processing Method for Meter Data Analysis

Simple/Quick metered data processing method that can be used for Army Metered Data Management System (MDMS) and Logistics Innovation Agency data, but may also be useful for other large data sets. Intended for large data sets when analyst has little information about the buildings.

97 MATHEMATICS AND COMPUTING↗

Small-angle X-ray and neutron scattering

Small-angle scattering (SAS) is a technique that is able to probe the structural organization of matter and quantify its response to changes in external conditions. X-ray and neutron scattering profiles measured from bulk materials or materials deposited at surfaces arise from nanostructural inhomogeneities of electron or nuclear density. Furthermore, the analysis of SAS data from coherent scattering events provides information about the length scale distributions of material components. Samples for SAS studies may be prepared in situ or under near-native conditions and the measurements performed at various temperatures, pressures, flows, shears or stresses, and in a time-resolved fashion. In this Primer, we provide an overview of SAS, summarizing the types of instrument used, approaches for data collection and calibration, available data analysis methods, structural information that can be obtained using the method, and data depositories, standards and formats. Recent applications of SAS in structural biology and the soft-matter and hard-matter sciences are also discussed.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Density of States and the Ground State Structure in the Ising Model on a Kagome Lattice with Consideration for Next-Nearest-Neighbor Interaction

Phase transitions and thermodynamic properties have been studied in the two-dimensional antiferromagnetic Ising model on a Kagome lattice by the Monte Carlo method with consideration for both nearest- and next-nearest-neighbor interaction. Using the histogram data analysis method, it has been shown that the studied model is characterized by a second-order phase transition. The temperature dependence of thermodynamic parameters has been revealed to exhibit abnormal behavior.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗

Identifying preferential flow from soil moisture time series: Review of methodologies

Abstract Identifying and quantifying preferential flow (PF) through soil—the rapid movement of water through spatially distinct pathways in the subsurface—is vital to understanding how the hydrologic cycle responds to climate, land cover, and anthropogenic changes. In recent decades, methods have been developed that use measured soil moisture time series to identify PF. Because they allow for continuous monitoring and are relatively easy to implement, these methods have become an important tool for recognizing when, where, and under what conditions PF occurs. The methods seek to identify a pattern or quantification that indicates the occurrence of PF. Most commonly, the chosen signature is either (1) a nonsequential response to infiltrated water, in which soil moisture responses do not occur in order of shallowest to deepest, or (2) a velocity criterion, in which newly infiltrated water is detected at depth earlier than is possible by nonpreferential flow processes. Alternative signatures have also been developed that have certain advantages but are less commonly utilized. Choosing among these possible signatures requires attention to their pertinent characteristics, including susceptibility to errors, possible bias toward false negatives or false positives, reliance on subjective judgments, and possible requirements for additional types of data. We review 77 studies that have applied such methods to highlight important information for readers who want to identify PF from soil moisture data and to inform those who aim to develop new methods or improve existing ones. Core Ideas Soil moisture data can be used to identify the occurrence of preferential flow (PF) and its initiating conditions. Various data‐analysis methods to identify PF differ in susceptibility to error, bias, and subjectivity. These methods can utilize vast amounts of data from soil moisture monitoring networks to develop understanding of when, where, and under what conditions PF occurs. Newly developed methods may lead to better accuracy and reliability, and reduce the need for subjective judgments. Plain Language Summary Preferential flow through soil occurs when a large amount of water is suddenly available, as during an intense storm. This type of flow moves rapidly through the soil in distinct narrow pathways rather than moving evenly throughout the body of soil, with major consequences for groundwater resources, ecosystems, spreading of contaminants, and other vital concerns. Methods of detecting preferential flow have been developed that utilize measurements of soil water content made by sensors installed at various depths. This measurement technology has been widely implemented, many locations now having datasets years in length, and various methods have been developed for using these to identify preferential flow. The various methods are based on different features in the soil moisture records and vary in their advantages and shortcomings. In this review, we explain and evaluate these methods, highlighting important information for their implementation to identify preferential flow from soil moisture data and for efforts to develop new methods or improve existing ones.

Nimmo, John R↗

Identifying requisite changes to support modern maintenance practices - 294

Modern data science and processing require the use of modern maintenance records. With traditional record-keeping practices, the isolated nature of the data, as well as the presence of handwritten maintenance work orders and incomplete service logs, severely limit the amount of progress that can be made towards advanced condition-based maintenance. These condition-based methods of diagnostics, prognostics, and maintenance planning are a primary goal of next-generation plant operations and maintenance strategies, and are all dependent on the availability of quality plant data including maintenance data. By implementing changes to maintenance record-keeping practices, such as the use of a computerized maintenance management system, key data will become available to allow for implementation of state-of-the-art data analysis methods. This paper covers the benefits of utilizing digital record systems to increase maintenance data availability in terms of condition-based maintenance and asset management. The ability of these methods to enable state-of-the-art practices within industrial organizations is discussed to offer insight into ways that these improvements to operating strategy will contribute to improvements in world-class maintenance excellence. A discussion of the future of asset management in terms of data analytics, maintenance decision support, and data integration is provided to illustrate the changing landscape of plant management. The result is an examination of innovative maintenance strategies and discussion of challenges related to the future of asset management and implementing modern maintenance practices. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

MAPPRAISER: A massively parallel map-making framework for multi-kilo pixel CMB experiments

Forthcoming cosmic microwave background (CMB) polarized anisotropy experiments have the potential to revolutionize our understanding of the Universe and fundamental physics. The sought-after, tale-telling signatures will be however distributed over voluminous data sets which these experiments will collect. These data sets will need to be efficiently processed and unwanted contributions due to astrophysical, environmental, and instrumental effects characterized and efficiently mitigated in order to uncover the signatures. This poses a significant challenge to data analysis methods, techniques, and software tools which will not only have to be able to cope with huge volumes of data but to do so with unprecedented precision driven by the demanding science goals posed for the new experiments. A keystone of efficient CMB data analysis is solvers of very large linear systems of equations. Such systems appear in very diverse contexts throughout CMB data analysis pipelines, however they typically display similar algebraic structures and can therefore be solved using similar numerical techniques. Linear systems arising in the so-called map-making problem are one of the most prominent and common ones. In this work we present a massively parallel, flexible and extensible framework, comprised of a numerical library, MIDAPACK, and a high level code, MAPPRAISER, which provide tools for solving efficiently such systems. Here, the framework implements iterative solvers based on conjugate gradient techniques: enlarged and preconditioned using different preconditioners. We demonstrate the framework on simulated examples reflecting basic characteristics of the forthcoming data sets issued by ground-based and satellite-borne instruments, executing it on as many as 16,384 compute cores. The software is developed as an open source project freely available to the community at: https://github.com/B3Dcmb/midapack.

79 ASTRONOMY AND ASTROPHYSICS↗

Windowing artefacts likely account for recent claimed detection of oscillating cosmic scale factor

ABSTRACT Using the Pantheon data set of Type Ia supernovae, a recent publication (R20 in this work) reports a 2σ detection of oscillations in the expansion history of the Universe. The study conducted by R20 is wholly worthwhile. However, we demonstrate that there is a $\gt 10{{\ \rm per\ cent}}$ chance of statistical fluctuations in the Pantheon data producing a false oscillatory signal larger than the oscillatory signal that R20 report. Their results are a less than 2σ detection. Applying the R20 methodology to simulated Pantheon data, we determine that these oscillations could arise due to analysis artefacts. The uneven spacing of Type Ia supernovae in redshift space and the complicated analysis method of R20 impose a structured throughput function. When analysed with the R20 prescription, about $11{{\ \rm per\ cent}}$ of artificial ΛCDM data sets produce a stronger oscillatory signal than the actual Pantheon data. Our results underscore the importance of understanding the false ‘signals’ that can be introduced by complicated data analyses.

79 ASTRONOMY AND ASTROPHYSICS↗