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At least 145 records · Page 8

Analytical Radiochemical Method Development for Mark 18A Program

The Savannah River National Laboratory Nuclear Measurements Group was tasked by the Mark 18A Program team with developing three analytical characterization methods. These methods will support process and waste characterization of the Mark 18A program material. While methods already existed for most analytes of interest to the Mark 18A program team, the Nuclear Measurements Group developed and refined methods to quantify the Cf isotopes, 107 Pd, and 121m Sn. The results of that effort are presented in this work. Methods were successfully developed to characterize the Mark 18A samples for the needed isotopes and the NMG is ready to receive Mark 18A program samples.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Electric Vehicle Charging Analytics and Reporting Tool (EV-ChART): Data Format and Preparation Guidance (V.5.0)

The Joint Office of Energy and Transportation maintains the Electric Vehicle Charging Analytics and Reporting Tool (EV-ChART), which provides a centralized hub for submitting electric vehicle (EV) charging infrastructure data directed by the Federal Highway Administration (23 CFR 680.112(a)-(c)). EV-ChART provides a streamlined data submission process and an integrated set of analytic tools, connects to other data sources, and empowers data sharing and access across stakeholders, including the public. Any data shared publicly will be aggregated and anonymized to stay in accordance with 23 CFR 680. This EV-ChART Data Format and Preparation Guidance provides a comprehensive overview of the data reporting requirements as authorized under 23 CFR 680.112(a)-(c)). The guidance is intended to be used alongside the EV-ChART Data Input Template, which defines the tabular data structure that these data submissions must follow. Per 23 CFR 680.112(a)-(c), the annual and quarterly data submissions are required of all National Electric Vehicle Infrastructure (NEVI) Formula Program projects, as well as projects for the construction of publicly accessible EV chargers that are funded with funds made available under Title 23, United States Code, including any EV charging infrastructure project funded with federal funds that is treated as a project on a federal-aid highway. One-time data submissions are required of both the NEVI Formula Program projects and grants awarded under 23 U.S.C. 151(f) for projects that are for EV charging stations located along and designed to serve the users of designated Alternative Fuel Corridors (AFCs). Other information and data required in 23 CFR 680, such as 23 CFR 680.112(d), 23 CFR 680.116(c), and 23 CFR 680.106(a), are not discussed in this guidance.

33 ADVANCED PROPULSION SYSTEMS↗

Metrics and Analytical Frameworks for Valuing Energy Efficiency and Distributed Energy Resources in the Built Environment: Preprint

This paper summarizes efforts to develop new—and enhance existing—analytical frameworks and metrics to quantify the value that grid-interactive efficient homes with solar (GEB-solar homes) can provide. Industry is working to characterize and understand these capabilities and benefits, but existing analytical frameworks for evaluating energy efficiency (EE) are often siloed from those that evaluate distributed energy resources (DERs). Five metrics were adapted from an extensive literature review and applied to case studies of a modeled home in Riverside, California: ramp up/down, cover factor demand/supply, and curtailable load. Eight different technology scenarios were analyzed using a more tightly connected suite of building-to-grid models (BEopt, REopt, ReEDS, and PLEXOS). Additionally, an initial version of the Cambium tool was developed, characterizing the marginal prices and emissions from NREL’s 2018 Standard Scenarios. These grid costs were extended to a time-varying proxy retail rate and applied as part of a new grid alignment metric. In the results, a more integrated combination of GEB-solar technologies led to a higher cover factor demand—the percentage of gross home load covered by on-site solar—however, a benchmark was required to determine what range of cover factor was “best” for given grid conditions. To that end, a grid alignment cost metric was applied to the case study scenarios. The average cost to serve the net load of the home decreased from a median of ~$0.24/kWh to ~$0.10/kWh when the most integrated technology scenario was optimized towards the grid pricing proxy versus the time-of-use (TOU) rate.

41 EE - Solar Energy Technologies Office (EE-4S)↗

Status on Development of Graphite Analytical Tool (GAT)

The DOE-ART Graphite R&D program has been generating significant amounts of irradiated and unirradiated graphite data since 2006 when the program was part of the DOE NGNP (Next Generation Nuclear Plant) Project. This data includes critical irradiation creep and irradiated material property changes from the Advanced Graphite Creep (AGR) experiment as well as significant amounts of data on unirradiated material property values on several current nuclear graphite grades (Baseline program). Previously, Idaho National Laboratory has developed an internal analysis tool to assist with analysis of the unirradiated and irradiated data. The Graphite Analytical Tool (GAT) is intended to provide easy access to the graphite data in the form of comparing unirradiated and irradiated material property changes, comparison of material property differences between various nuclear graphite grades, and illustrate trends within the irradiated and unirradiated data generated within the DOE-ART Graphite R&D program. This report summarizes the progress to-date on the development of this analytical tool.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Analytic Sensitivity Coefficients for Bethe's Solution of the Neutron Slowing Down Equation

Neutron slowing down theory is used to derive expressions for the sensitivity coefficients of the neutron collision density in a hydrogenous infinite medium with respect to the fixed source, scattering probability, and macroscopic nuclear cross sections. Analytic expressions for Bethe’s solution of the neutron slowing down equation are derived for the constant cross section approximation with a point, uniform, and gamma lethargy spectrum. Analytic expressions for the corresponding sensitivity coefficients are derived and used to verify Monte Carlo neutron transport calculations.

Analytic Benchmark↗

INTEGRATION OF DATA ANALYTICS WITH SYSTEM HEALTH PROGRAMS

Industry equipment reliability and asset management programs are essential elements that help ensure the safe and economical operation of nuclear power plants. The effectiveness of these programs is addressed in several industry developed and regulatory programs. However, these programs have proven to be labor intensive and expensive. There is an opportunity to significantly enhance the collection, analysis, and use of this information to provide more cost-effective plant operation. Additionally, there is an acute industry need to leverage advanced technology to reduce costs and improve operational effectiveness. The goal of this paper is to provide effective and efficient analytical methods and tools to support risk-informed decisions for the equipment reliability and asset management programs at nuclear power plants. This is accomplished by creating a direct bridge between component health/lifecycle data and decision making (e.g., maintenance scheduling and project prioritization). Here we are supporting typical system engineer decisions regarding maintenance activity scheduling and component ageing management. This is performed in a risk-informed context where herein the term “risk” is broadly constructed to include both plant reliability and economics. This framework combines data analytics tools to analyze equipment reliability data with risk-informed methods designed to support system engineer decisions (e.g., maintenance and replacement schedules, optimal maintenance posture) in a customizable workflow. A challenge is that the structure of this workflow strongly depends on the decision that needs to be made, the type of data available, and the constraints that need to be considered. Current methods are designed to provide specific answers to specific problems; however, these methods might prove to be inadequate even when problem settings slightly change (e.g., different types of requirements, additional dependencies between system reliability and economics). We tackled this challenge by designing framework in a flexible and modular fashion such that the user can assemble and customize his/her own workflow that integrates SSC economic lifecycle models (e.g., maintenance and replacement costs), system reliability models, and optimization methods.

97 - MATHEMATICS AND COMPUTING↗

A graph signal processing‐based multiple model Kalman filter ( GSP‐MMKF ) tool for predictive analytics: An air separation unit process application

Abstract The industrial Air Separations Unit (ASU) is a complicated and tightly operated process. The use of dynamic process analytics is also a key element of safe and economic operation of these processes, with increasing focus on predictive analytics to take preemptive actions. With the availability of real‐time data from hundreds of sensors, the data analysis process should also consider the topology of the data, as seen in sensor networks. In this paper, a novel tool is presented that considers the complex connectivity patterns in the sensor network and uses local adaptive disturbance estimations to predict global network‐scale trends. The paper introduces the emerging field of Graph Signal Processing (GSP) and presents a rigorous derivation of the tool starting from the extraction of the sensor‐network (in a graph theoretical sense) from the data. This network, which is in the form of a matrix, is then used to derive a Kalman‐filter type of state‐space model driven by input disturbances. Multiple disturbance models (e.g., step, ramp, periodic) are included to allow the model to have different kinds of disturbance propagation. Each graph node (representing the sensors used) dynamically adapts to the most recent detected disturbance individually. These estimated disturbances are propagated to the global network using the graph. Modifications to ensure stability are also discussed. The fidelity of the tool is tested on certain downtime events and the paper concludes by discussing the advantages of the method and planned future improvements.

Ghosh, Sambit↗

Smoky Mountain Data Challenge 2021: An Open Call to Solve Scientific Data Challenges Using Advanced Data Analytics and Edge Computing

The 2021 Smoky Mountains Computational Sciences and Engineering Conference enlists scientists from across Oak Ridge National Laboratory (ORNL) and industry to be data sponsors and help create data analytics and edge computing challenges for eminent datasets in a variety of scientific domains. This work describes the significance of each of the eight datasets and their associated challenge questions. The challenge questions for each dataset were required to cover multiple difficulty levels. An international call for participation was sent to students, asking them to form teams of up to six people and apply novel data analytics and edge computing methods to solve these challenges.

Devineni, Pravallika↗

Challenges for monitoring and data analytics in a leadership public data repository

The availability and disposition of data has assumed increasing importance in large-scale computational science. Data repositories are evolving to meet new classes of requirements: compliance with government access guidelines, support for reproducibility of experimental results, and long-term availability of data products. The Constellation public data repository at the Oak Ridge Leadership Computing Facility faces these issues while being situated in one of the most productive data centers in the world. While monitoring and operational data analysis are ingrained in the operation of the OLCF’s large-scale high performance computing platforms, data repositories do not have this history of support. Problems faced by Constellation range from data size (over 7 petabytes in current holdings) to analytic complexity (detailed curation is both absolutely necessary for many data sets and absolutely impossible for humans to accomplish in any practical manner) to deployment environment (OLCF storage resources are oriented toward the needs of the compute platforms). In this paper we describe some of the challenges for collecting monitoring and analytic data from a leadership public data repository. We also discuss various strategies we are pursuing in order to address these challenges, from manual data collection to plans for introducing machine learning-based curatorial techniques.

Widener, Patrick [ORNL] (ORCID:0000000258820816)↗

Exact quantization and analytic continuation

In this paper we give a streamlined derivation of the exact quantization condition (EQC) on the quantum periods of the Schrödinger problem in one dimension with a general polynomial potential, based on Wronskian relations. We further generalize the EQC to potentials with a regular singularity, describing spherical symmetric quantum mechanical systems in a given angular momentum sector. We show that the thermodynamic Bethe ansatz (TBA) equations that govern the quantum periods undergo nontrivial monodromies as the angular momentum is analytically continued between integer values in the complex plane. The TBA equations together with the EQC are checked numerically against Hamiltonian truncation at real angular momenta and couplings, and are used to explore the analytic continuation of the spectrum on the complex angular momentum plane in examples.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analytic techniques for solving the transport equations in electroweak baryogenesis

We develop an efficient method for solving transport equations, particularly in the context of electroweak baryogenesis. It provides fully-analytical results under mild approximations and can also test semi-analytical results, which are applicable in more general cases. Key elements of our method include the reduction of the second-order differential equations to first order, representing the set of coupled equations as a block matrix of the particle densities and their derivatives, identification of zero modes, and block decomposition of the matrix. We apply our method to calculate the baryon asymmetry of the Universe (BAU) in a Standard Model effective field theory framework of complex Yukawa couplings to determine the sensitivity of the resulting BAU to modifications of various model parameters and rates, and to estimate the effect of the commonly-used thin-wall approximation.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Analytical estimation of the signal to noise ratio efficiency in axion dark matter searches using a Savitzky-Golay filter

The signal to noise ratio efficiency ϵ SNR in axion dark matter searches has been estimated using large-statistic simulation data reflecting the background information and the expected axion signal power obtained from a real experiment. This usually requires a lot of computing time even with the assistance of powerful computing resources. Employing a Savitzky-Golay filter for background subtraction, in this work, we estimated a fully analytical ϵ SNR without relying on large-statistic simulation data, but only with an arbitrary axion mass and the relevant signal shape information. Hence, our work can provide ϵ SNR using minimal computing time and resources prior to the acquisition of experimental data, without the detailed information that has to be obtained from real experiments. Axion haloscope searches have been observing the coincidence that the frequency independent scale factor ξ is approximately consistent with the ϵ SNR . This was confirmed analytically in this work, when the window length of the Savitzky-Golay filter is reasonably wide enough, i.e., at least 5 times the signal window.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

Combining shallow-water and analytical wake models for tidal array micro-siting

For tidal-stream energy to become a competitive renewable energy source, clustering multiple turbines into arrays is paramount. Array optimisation is thus critical for achieving maximum power performance and reducing cost of energy. However, ascertaining an optimal array layout is a complex problem, subject to specific site hydrodynamics and multiple inter-disciplinary constraints. In this work, we present a novel optimisation approach that combines an analytical-based wake model, FLORIS, with an ocean model, Thetis. The approach is demonstrated through applications of increasing complexity. By utilising the method of analytical wake superposition, the addition or alteration of turbine position does not require re-calculation of the entire flow field, thus allowing the use of simple heuristic techniques to perform optimisation at a fraction of the computational cost of more sophisticated methods. Using a custom condition-based placement algorithm, this methodology is applied to the Pentland Firth for arrays with turbines of 3.05 m/s rated speed, demonstrating practical implications whilst considering the temporal variability of the tide. For a 24-turbine array case, micro-siting using this technique delivered an array 15.8% more productive on average than a staggered layout, despite flow speeds regularly exceeding the rated value. Performance was evaluated through assessment of the optimised layout within the ocean model that treats turbines through a discrete turbine representation. Used iteratively, this methodology could deliver improved array configurations in a manner that accounts for local hydrodynamic effects.

16 TIDAL AND WAVE POWER↗

Analytical gradient-based optimization of CALPHAD model parameters

The calibration of CALPHAD (CALculation of PHAse Diagrams) models involves the solution of a very challenging high-dimensional multiobjective optimization problem. Traditional approaches to parameter fitting predominantly rely on gradient-free methods, which while robust, are computationally inefficient and often scale poorly with model complexity. In this work, we introduce and demonstrate a generalizable framework for analytic gradient-based optimization of the parameters of the CALPHAD model enabled by the recently formalized Jansson derivative technique. This method allows for efficient evaluation of gradients of thermodynamic properties at equilibrium with respect to model parameters, even in the presence of arbitrarily complex internal degrees of freedom. Leveraging these semi-analytic gradients, we employ the conjugate gradient (CG) method to optimize thermodynamic model parameters for four binary alloy systems: Cu-Mg, Fe-Ni, Cr-Ni, and Cr-Fe. Across all systems, CG achieves comparable or superior optimality relative to Bayesian ensemble Markov Chain Monte Carlo (MCMC) with improvements in computational efficiency ranging from one to three orders of magnitude. Furthermore, our results establish a new paradigm for CALPHAD assessments in which high fidelity data-rich model calibration becomes tractable using deterministic gradient-informed algorithms.

CALPHAD↗

Analytical population dynamics underlying harmful algal blooms triggered by prey avoidance

A modified version of the NPZD ecosystem model is used to analytically examine the effects of predation avoidance, a possible mechanism for triggering harmful algal blooms (HAB). To resolve HAB development caused by predation avoidance, an additional phytoplankton functional group is considered, one that has slower nutrient uptake and better predation avoidance characteristics than the non-harmful phytoplankton group used in traditional NPZD models. Because the two phytoplankton groups (one non-harmful and one HAB) compete for only one resource within the same system, steady state (equilibrium) conditions cannot occur without the presence of zooplankton; only the non-harmful phytoplankton group, which defeats the HAB group in the resource competition, can survive in the equilibrium. The presence of sufficient zooplankton effectively acts to replenish the nutrient pool by consuming the non-harmful phytoplankton. When this occurs, two equilibrium states are found: one with both phytoplankton groups coexisting, and one that only includes the HAB group. Further, the condition required for equilibrium is that the total nitrogen within the system should be larger than a threshold determined by model coefficients. The threshold and feasibility of the equilibrium are sensitive to the relative HAB predation avoidance coefficient. If the coefficient is larger than the ratio of net growth rates between the HAB and non-harmful phytoplankton group, the threshold becomes infinite, and an equilibrium is not feasible. The time scale for the system to reach an equilibrium state that includes a HAB group is determined asymptotically. The dependence of a threshold condition as a controlling factor may explain the regime shift of dominant species causing HABs. The ecosystem model is fully implemented into the Regional Ocean Modeling System and applied to an idealized coastal embayment (with depths and geometry taken from San Francisco Bay) to show numerically the dominance of prey avoidance dynamics in a natural shallow water environment that includes advection and diffusion. The analytical results improve strategies for HAB modeling and provide guidance for setting model coefficients necessary to resolve a HAB event.

54 ENVIRONMENTAL SCIENCES↗

Synergistic data analytics for electromechanical oscillation in electric power systems

Accurate real-time estimation of the four electromechanical oscillation properties, i.e., dominant oscillation modes, mode shapes, participation factors, and coherent groups, is of great importance to assess and mitigate potential electromechanical oscillations in interconnected power systems. While eigenvalue analysis can realize such estimation, it requires precise linearized dynamic models and accurate parameters, which are highly difficult to obtain in practice. Data fusion-based modal estimation methods can extract the properties of electromechanical oscillations from measurement data without the power system model and parameters, but most of the time only one or two property assessments can be accomplished each time. To overcome this challenge, this paper presents a synergistic data analytics solution to characterize the dynamic behaviors of electromechanical oscillations from real-time measurement data. Here, the proposed method uses optimized variable projection, and it is capable of estimating all four electromechanical oscillation behavior properties from measured responses. Case studies are performed using the simulated measurement data of a 16-generator 68-bus test system and the field measurements collected by the PMUs deployed in the Yunnan Power Grid. The results demonstrate that the proposed synergistic data analytics solution can achieve satisfactory performance in capturing the properties of electromechanical oscillations from measurement data and exhibit strong robustness against measurement noise when compared with existing measurement-based methods.

42 ENGINEERING↗

Development and characterization of an aerosol-generated multi-method analytical particle test material

Ceria (CeO 2 ) particles with low to ultra-low loading of nickel dopant were produced using an aerosol-based, droplet-to-particle synthesis via an in-line calcination technique. This aerosol-based synthesis method enables the production of particles with a monodisperse size distribution. These produced and well-characterized, multi-element, ceria-based particles demonstrate a material exemplar for multi-method analytical testing. They were prepared from a cerium nitrate feedstock where low loading nickel dopant was added at target Ni/(Ni + Ce) atomic percents of 1 %, 0.1 %, and 0.01 %, using a nickel nitrate spike. This methodology proved to produce ceria particles doped with a dynamic range of low to ultra-low loadings of nickel over a 24-h period, with consistent size distribution, morphology, and composition. The successful incorporation of nickel was demonstrated with bulk and single particle inductively coupled plasma mass spectroscopy and revealed notable particle-to-particle elemental homogeneity. X-ray photoelectron spectroscopy demonstrated the presence of a high concentration of nickel dopant incorporated preferentially toward the surface of the particles, and that this dopant aided oxidation of surface Ce(III) atoms to Ce(IV). These particle test materials were then validated through X-ray absorption near edge spectroscopy, comparing the ultra-low 0.01 % Ni and low 1 % Ni-doped ceria samples. This revealed a more-reduced oxidation state of the nickel with an increase in dopant concentration. Finally, this work demonstrates a synthesis and systematic characterization scheme to produce multi-method analytical test particulates.

36 MATERIALS SCIENCE↗

Analytical closure to the spatially-filtered Euler equations for shock-dominated flows

To ensure numerical stability in the vicinity of shocks, a variety of methods have been used, including shock-capturing schemes such as weighted essentially non-oscillatory schemes, as well as the addition of artificial diffusivities to the governing equations. Centered finite difference schemes are often avoided near discontinuities due to the tendency for significant oscillations. However, such schemes have desirable conservation properties compared to many shock-capturing schemes. The objective of this work is to derive all necessary viscous/diffusion terms from first principles and then demonstrate the performance of these analytical terms within a centered differencing framework. The physical Euler equations are spatially-filtered with a Gaussian-like filter. Sub-filter scale (SFS) terms arise in the momentum and energy equations. Analytical closure is provided for each of them by leveraging the jump conditions for a shock. No SFS terms are present in the continuity or species equations. Here, this approach is tested for several problems involving shocks in one and two dimensions. Implemented within a centered difference code, the SFS terms perform well for a range of flow conditions without introducing excessive diffusion.

97 MATHEMATICS AND COMPUTING↗