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At least 253 records · Page 14

Overlapping Schwarz Methods Are Not Anisotropy‐Robust Multigrid Smoothers

We analyze overlapping multiplicative Schwarz methods as smoothers in the geometric multigrid solution of two-dimensional anisotropic diffusion problems. For diffusion equations, it is well known that the smoothing properties of point-wise smoothers, such as Gauss Seidel, rapidly deteriorate as the strength of anisotropy increases. On the other hand, global smoothers based on line smoothing are known to generally provide good smoothing for diffusion problems, independent of the anisotropy strength. Here, a natural question is whether global methods are really necessary to achieve good smoothing in such problems, or whether it can be obtained with locally overlapping block smoothers using sufficiently large blocks and overlap. Through local Fourier analysis and careful numerical experimentation, we show that global methods are indeed necessary to achieve anisotropy-robust smoothing. Specifically, for any fixed block size bounded sufficiently far away from the global domain size, we find that the smoothing properties of overlapping multiplicative Schwarz rapidly deteriorate with increasing anisotropy, irrespective of the amount of overlap between blocks. Moreover, our results indicate that anisotropy-robust smoothing requires blocks of diameter 𝒪⁡(𝜖 −1/2 ) for anisotropy ratio 𝜖 ∈(0,1] .

97 MATHEMATICS AND COMPUTING↗

Low-Temperature Geothermal Play Fairway Analysis for the Denver Basin

This project is part of a national initiative to showcase the benefits of incorporating low-temperature geothermal resource assessment into the deployment of geothermal heating, combined heat and power (CHP), and geothermal direct-use (GDU) technologies. The initiative was established to accelerate the country's decarbonization efforts by identifying potential for low-temperature geothermal resource utilization (<150 degrees C, e.g., CHP and GDU) in selected sedimentary basins with numerous population centers. The play fairway analysis (PFA) methodologies in this study were adapted from previous PFA investigations of sedimentary basin geothermal play types (SBGPTs) that evaluated the potential for low-temperature resources (<150 degrees C). Workflows, relevant datasets, a new Python library, and common and composite geological criteria maps are utilized to develop low-temperature geothermal resource favorability maps for the Denver Basin, a sedimentary basin spanning Colorado, Nebraska, and Wyoming. The replication of these methodologies in other SBGPTs can evaluate potential for low-temperature resources. To facilitate future assessment of low-temperature geothermal resources in SBGPTs, this project provides PFA workflows, data, tools, and favorability maps that will ultimately support the utilization of low-temperature geothermal resources in sedimentary basins.

combined heat and power↗

Integrating PCTRAN with AI-Driven Host-Intrusion Detection and Secured Container Systems for Advanced Malware Analysis (Summer Internship Report)

This study presents a solution for enhancing the security of the Personal Computer Transient Analyzer (PCTRAN) PC-based Nuclear Power Plant Simulator by integrating the software with an artificial intelligence (AI)-driven host-intrusion detection system (HIDS), in addition to a secured container system, for malware analysis. PCTRAN is a Windows XP-based software package that has the ability to simulate a variety of accident and transient conditions for nuclear power plants (NPPs). It offers a high-resolution replica of the Nuclear Steam Supply System (NSSS) and displays the status of important parameters allowing for operator interaction. By including AI-driven HIDS for the NSSS, the framework can identify security threats in real-time, ensuring the integrity of the nuclear simulation environment. Additionally, the secured container system offers the ability to isolate and analyze malware, preventing potential threats from affecting core systems. The integration process involves extensive testing and validation in order to ensure accuracy, reliability, and compliance with security policies. This framework sets a new precedent for secure simulation and training in NPP operations, and offers insight for future advancements in cybersecurity.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

A priori error analysis of high-order LL* (FOSLL*) finite element methods

A number of non-standard finite element methods have been proposed in recent years, each of which derives from a specific class of PDE-constrained norm minimization problems. The most notable examples are LL* methods. In this work, we argue that all high-order methods in this class should be expected to deliver substandard uniform h-refinement convergence rates. In fact, one may not even see rates proportional to the polynomial order p > 1 when the exact solution is a constant function. Here, we show that the convergence rate is limited by the regularity of an extraneous Lagrange multiplier variable which naturally appears via a saddle-point analysis. In turn, limited convergence rates appear because the regularity of this Lagrange multiplier is determined, in part, by the geometry of the domain. Numerical experiments support our conclusions.

97 MATHEMATICS AND COMPUTING↗

Risk Importance Ranking of Fire Data Parameters to Enhance Fire PRA Model Realism

Fire is historically and analytically a significant contributor to nuclear power plant risk. The level of fire risk and the methods, tools and data for modeling this risk is highly debated by experts. One area of debate is the input data used in fire modeling and how to deal with this data’s high uncertainty. This report outlines initial work performed for determining the key parameters causing this uncertainty and how it propagates into nuclear power plant models. This research paves the way for the development of methods to reduce fire data uncertainty used in modeling. The Nuclear Regulatory Commission has mandated that nuclear power plants perform fire risk modeling. However, there are several issues with the current risk modeling implementation that affect the results. Approved modeling methods can be overly conservative and often do not match plant experience. Also, the data used in the modeling can have high uncertainties and is influenced by expert judgement. To evaluate input data uncertainty, researchers performed an initial review of several fire experiments done at Sandia National Laboratories. Uncertainties for fire data can come from many sources, such as experiment design constraints, environmental conditions, or other plant-specific aspects. There are many different significant and insignificant parameters driving the uncertainty. Additionally, the uncertainty of the different input data used in the fire modeling could have a significant or insignificant effect on the entire plant risk. A four-step methodology was developed to perform Integrated Probabilistic Risk Assessment Importance Ranking. A demonstration case using these steps was set up and three of the four steps were completed in fiscal year (FY) 2019 and the fourth step done FY 2020. These steps are: 1. The qualitative analysis of potential sources was conducted with the following items identified for the demonstration. • Maximum heat release rate • Time to maximum heat release rate • Duration of max heat release rate • Time to decay • Thermal conductivity of concrete • Specific heat of concrete • Density of concrete • Cable jacket thickness 2. A quantitative characterization of dominant sources of uncertainty was performed. A list of distributions and determined values of the dominant sources is shown in Appendix A. 3. A quantitative screening of the potential sources of uncertainty using Morris Elementary Effects Analysis was completed. An experimental model using the physics-based fire modeling tool Fire Dynamics Simulator was developed and coupled with the Risk Analysis Virtual Environment. The Morris analysis identified at least two parameters that can be eliminated as significant contributors (specific heat of concrete and cable jacket thickness). 4. Global importance measure (Global IM) analysis to generate a comprehensive ranking based on their influence on the plant risk. In this research, a moment-independent Global IM is used since it can address (a) uncertainty in the input parameters of the fire model, (b) uncertainty in the risk outputs, and (c) non-linearity and interactions among input parameters in the fire model, more accurately than the correlation-based and variance-based global methods. The observations from the research showed that, depending on the initial and boundary conditions of the fire scenarios, fire-induced damage could have a very small probability and could be dominated by the tail of the uncertainty distribution; hence, the accuracy of the correlation-based and variance-based methods is questionable. The moment-independent Global IM analysis in this research provides a better understanding of how experimental uncertainty data affects industry’s plant models and where improvements in that data will have the largest benefit for improving fire modeling accuracy in causing core damage. Among the five unscreened parameters obtained from the Morris EE analysis, the Global IM analysis results for the case study indicated that max heat release rate and fire location are the most important parameters. The report also outlines benefits of using a unified computational platform that integrates the underlying simulations (e.g., a fire progression model), quantitative screening (using the Morris EE method), and the Global IM analysis. A unified platform can (i) facilitate the ranking of input parameters considering multiple key fire scenarios simultaneously, rather than considering one scenario at a time, (ii) contribute to more explicit and accurate treatment of dependencies at multiple levels of Fire PRA, (iii) facilitate the sampling-based uncertainty quantification for Fire PRA, and (iv) help generating both “industry-wide” and "plant-specific" ranking of uncertainty sources in Fire PRA. Future research should be done to include additional parameters such as detection/suppression or cable fire spread. Adding a PRA software such as SAPHIRE to the RAVEN platform would help with plant model integration and improve treatment of fire-induced dependency. The I-PRA risk importance ranking methodology offered in this report can provide valuable information for efficiently (a) enhancing the realism of Fire PRA for existing plants and (b) supporting the development of Dynamic Fire PRA for advanced reactors and new plants.

97 MATHEMATICS AND COMPUTING↗

Side-channel Leakage Assessment Metrics: A Case Study of GIFT Block Ciphers

Determination of an adequate level of security and providing subsequent mechanisms to achieve it, is one of the most pressing problems regarding embedded computing devices. While there are some solutions available for resource-rich computer systems, direct application of these solutions to resource-constrained environments are often unfeasible. The fundamental problem for such resource-constrained systems is the fact that current cryptographic algorithms utilize significant energy consumption and storage overhead. Both the cryptographic algorithm and its physical implementation affect the resilience of a cryptosystem against side-channel attacks. A side-channel attack represents a process that exploits leakages in order to extract sensitive information such as the key. This paper focuses on Correlation Power Analysis (CPA) which is side-channel attack based on the power consumption leakage. In 2016 the U.S. Commerce Department’s National Institute of Standards and Technology (NIST) initiated the call for proposals of new cryptographic algorithms to strengthen the cryptographic defense of networked devices against cyberattacks and to protect the data created by those innumerable device. This work evaluates S-boxes used by NIST candidates PICCOLO, GIFT, and PRESENT, as well as several S-box variants that demonstrated sufficient weaknesses against classical cryptanalysis, for a quantitative comparison in terms of resiliency to CPA attack. Three well-known theoretical metrics are evaluated: transparency order (TO and RTO), nonlinearity, and signal-to-noise (SNR) ratio, aiming to characterize the resistance of these S-boxes against adversaries exploiting physical leakages. Experimental results from attacks on an 8- bit XMEGA were obtained via the ChipWhisperer platform and of all the S-boxes evaluated, GIFT64 with a PICCOLO S-box was found to be the most susceptible to CPA. Results showed that variations in TO and RTO were not sufficient to ensure practical CPA resistance and that among S-boxes with equal non-linearity there were no significant differences in the TO and SNR variants.

97 MATHEMATICS AND COMPUTING↗

Side-channel Leakage Assessment Metrics: A Case Study of GIFT Block Ciphers

Determination of an adequate level of security and providing subsequent mechanisms to achieve it, is one of the most pressing problems regarding embedded computing devices. While there are some solutions available for resource-rich computer systems, direct application of these solutions to resource-constrained environments are often unfeasible. The fundamental problem for such resource-constrained systems is the fact that current cryptographic algorithms utilize significant energy consumption and storage overhead. Both the cryptographic algorithm and its physical implementation affect the resilience of a cryptosystem against side-channel attacks. A side-channel attack represents a process that exploits leakages in order to extract sensitive information such as the key. This paper focuses on Correlation Power Analysis (CPA) which is side-channel attack based on the power consumption leakage. In 2016 the U.S. Commerce Department’s National Institute of Standards and Technology (NIST) initiated the call for proposals of new cryptographic algorithms to strengthen the cryptographic defense of networked devices against cyberattacks and to protect the data created by those innumerable device. This work evaluates S-boxes used by NIST candidates PICCOLO, GIFT, and PRESENT, as well as several S-box variants that demonstrated sufficient weaknesses against classical cryptanalysis, for a quantitative comparison in terms of resiliency to CPA attack. Three well-known theoretical metrics are evaluated: transparency order (TO and RTO), nonlinearity, and signal-to-noise (SNR) ratio, aiming to characterize the resistance of these S-boxes against adversaries exploiting physical leakages. Experimental results from attacks on an 8- bit XMEGA were obtained via the ChipWhisperer platform and of all the S-boxes evaluated, GIFT64 with a PICCOLO S-box was found to be the most susceptible to CPA. Results showed that variations in TO and RTO were not sufficient to ensure practical CPA resistance and that among S-boxes with equal non-linearity there were no significant differences in the TO and SNR variants.

97 MATHEMATICS AND COMPUTING↗

Emerging Per- and Polyfluoroalkyl Substances in Tap Water from the American Healthy Homes Survey II

Humans experience widespread exposure to anthropogenic per- and polyfluoroalkyl substances (PFAS) through various media, which can lead to a wide range of negative health impacts. Tap water is an important source of exposure in communities with any degree of contamination but routine or large-scale PFAS monitoring often depends on targeted analytical methods limited to measuring specific PFAS. We analyzed 680 tap water samples from the American Healthy Homes Survey II for PFAS using non-targeted analysis (NTA) to expand the range of detectable PFAS. Based on detection frequency and relative abundance, about half of the identified PFAS were found only by NTA. We identified (with varying degrees of confidence) 75 distinct PFAS, including 57 exclusively detected by NTA. The identified PFAS are members of seven structural subclasses differentiated by their head groups and degree of fluorination. Clustering analysis categorized the PFAS into four coabundance groups dominated by specific PFAS subclasses. One group uniquely identified by NTA contains zwitterionic PFAS and other PFAS transformation products which are likely associated with aqueous firefighting foam contaminants in a small number of spatially correlated samples. These results help further characterize the scope of exposure to emerging PFAS experienced by the U.S. population via tap water and augment nationwide targeted-PFAS monitoring programs.

63 RADIATION, THERMAL, AND OTHER ENVIRON. POLLUTAN↗

Inferring the shape of data: a probabilistic framework for analysing experiments in the natural sciences

A critical step in data analysis for many different types of experiments is the identification of features with theoretically defined shapes in N -dimensional datasets; examples of this process include finding peaks in multi-dimensional molecular spectra or emitters in fluorescence microscopy images. Identifying such features involves determining if the overall shape of the data is consistent with an expected shape; however, it is generally unclear how to quantitatively make this determination. In practice, many analysis methods employ subjective, heuristic approaches, which complicates the validation of any ensuing results—especially as the amount and dimensionality of the data increase. Here, we present a probabilistic solution to this problem by using Bayes’ rule to calculate the probability that the data have any one of several potential shapes. This probabilistic approach may be used to objectively compare how well different theories describe a dataset, identify changes between datasets and detect features within data using a corollary method called Bayesian Inference-based Template Search; several proof-of-principle examples are provided. Altogether, this mathematical framework serves as an automated ‘engine’ capable of computationally executing analysis decisions currently made by visual inspection across the sciences.

Science & Technology - Other Topics↗

Physics-preserving enriched Galerkin method for a fully-coupled thermo-poroelasticity model

This paper proposes a new numerical method for a fully-coupled, quasi-static thermo-poroelasticity model in a unified enriched Galerkin (EG) method framework. In our method, the mechanics sub-problem is solved using a locking-free EG method, and the flow and heat sub-problems are solved using a locally-conservative EG method. The proposed method offers mass and energy conservation properties with much lower costs than other methods with the same properties, including discontinuous Galerkin methods and mixed finite element methods. The well-posedness and optimal a priori error estimates are carefully derived. Here, several numerical tests confirm the theoretical optimal convergence rates and the mass and energy conservation properties of the new method.

15 GEOTHERMAL ENERGY↗

Long-Term Statistical Process Monitoring of an Ultrafiltration Water Treatment Process

As water treatment technology has improved, the amount of available process data has substantially increased, making real-time, data-driven fault detection a reality. One shortcoming of the fault detection literature is that methods are usually evaluated by comparing their performance on hand-picked, short-term case studies, which yields no insight into long-term performance. In this work, we first evaluate multiple statistical and machine learning approaches for detrending process data. Then, we evaluate the performance of a PCA-based fault detection approach, applied to the detrended data, to monitor influent water quality, filtrate quality, and membrane fouling of an ultrafiltration membrane system for indirect potable reuse. Based on two short case studies, the adaptive lasso detrending method is selected, and the performance of the multivariate approach is evaluated over more than a year. The method is tested for different sets of three critical tuning parameters, and we find that for long-term, autonomous monitoring to be successful, these parameters should be carefully evaluated. However, in comparison with industry standards of simpler, univariate monitoring or daily pressure decay tests, multivariate monitoring produces substantial benefits in long-term testing.

ammonia↗

Guiding the design of oxidation-resistant Fe-based single atom alloy catalysts with insights from configurational space

The high activity and selectivity of Fe-based heterogeneous catalysts toward a variety of reactions that require the breaking of strong bonds are offset in large part by their considerable instability with respect to oxidative deactivation. While it has been shown that the stability of Fe catalysts is considerably enhanced by alloying them with precious metals (even at the single-atom limit), rational design criteria for choosing such secondary metals are still missing. Since oxidative deactivation occurs due to the strong binding of oxygen to Fe and reduction by adsorbed hydrogen mitigates the deactivation, we propose here to use the binding affinity of oxygen and hydrogen adatoms as the basis for rational design. As it would also be beneficial to use cheaper secondary metals, we have scanned over a large subset of 3d–5d mid-to late transition metal single atoms and computationally determined their effect on the oxygen and hydrogen adlayer binding as a function of chemical potential and adsorbate coverage. We further determine the underlying chemical origins that are responsible for these effects and connect them to experimentally tunable quantities. Our results reveal a reliable periodic trend wherein oxygen binding is weakened greatest as one moves right and down the periodic table. Hydrogen binding shows the same trend only at high (but relevant) coverages and otherwise tends to have its binding slightly increased in all systems. Trends with secondary metal coverage are also uncovered and connected to experimentally tunable parameters.

Hensley, Alyssa↗

Developing a predictive science of the biosphere requires the integration of scientific cultures

Increasing the speed of scientific progress is urgently needed to address the many challenges associated with the biosphere in the Anthropocene. Consequently, the critical question becomes: How can science most rapidly progress to address large, complex global problems? We suggest that the lag in the development of a more predictive science of the biosphere is not only because the biosphere is so much more complex, or because we do not have enough data, or are not doing enough experiments, but, in large part, because of unresolved tension between the three dominant scientific cultures that pervade the research community. We introduce and explain the concept of the three scientific cultures and present a novel analysis of their characteristics, supported by examples and a formal mathematical definition/representation of what this means and implies. The three cultures operate, to varying degrees, across all of science. However, within the biosciences, and in contrast to some of the other sciences, they remain relatively more separated, and their lack of integration has hindered their potential power and insight. Our solution to accelerating a broader, predictive science of the biosphere is to enhance integration of scientific cultures. The process of integration—Scientific Transculturalism—recognizes that the push for interdisciplinary research, in general, is just not enough. Unless these cultures of science are formally appreciated and their thinking iteratively integrated into scientific discovery and advancement, there will continue to be numerous significant challenges that will increasingly limit forecasting and prediction efforts.

54 ENVIRONMENTAL SCIENCES↗

A use-case-driven approach for demonstrating the added value of digitalisation in wind energy

Digitalisation is one of the key drivers for reducing the costs and risks of wind energy. When considering whether to embark on a digitalisation initiative, two key questions arise. The first is what business or operational opportunities might feasibly be addressed and the second is which of the many potential aspects of digitalisation are relevant to those opportunities. In this work, we show how these questions can be answered with a use-case-driven approach, based around a survey aiming to collect and collate the main "pain points" (or everyday challenges) of people in the wind energy sector. Although the relatively low number of participants of the survey (46) means that the results should only be used indicatively, it is still possible to make some general recommendations for priorities for digitalisation efforts in the wind energy sector. Firstly, digitalisation efforts should focus both on supporting people carrying out cross-lifecycle tasks, in particular sharing data, managing data, undertaking general data analyses and accessing data. Tools to do this should deal with varying data formats and naming conventions, make metadata more accessible, define data and metadata standards, make more data publicly available and improve the quality of data. Secondly, efforts should also focus on supporting people in the wind farm operational phase, in particular with failure detection, fault diagnosis, failure rate modelling and predictive maintenance. Solutions to do this should focus on accessible and validated tools for fault detection, cloud or other data pipeline solutions for SCADA data and tools for exhaustive data documentation. Finally, digitalisation efforts should focus on better communicating and helping people become aware of existing solutions and tools, as well as on helping people to exert a stronger influence on possible solutions.

17 WIND ENERGY↗

Do We Really Need All That Data: From Data to Agency in Automated Microscopy

Microscopy is entering an era of automated laboratories and AI-enabled instruments, often justified by a simple narrative of automating experiments to collect more data and train better models. In this work, we argue that, for microscopy, this framing is incomplete and can be counterproductive.

97 MATHEMATICS AND COMPUTING↗