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DOE OSTI2021

Examination of Semi-Analytical Solution Methods in the Coarse Operator of Parareal Algorithm for Power System Simulation

With continuing advances in high-performance parallel computing platforms, parallel algorithms have become powerful tools for development of faster than real-time power system dynamic simulations. In particular, it has been demonstrated in recent years that parallel-in-time (Parareal) algorithms have the potential to achieve such an ambitious goal. Here, the selection of a fast and reasonably accurate coarse operator of the Parareal algorithm is crucial for its effective utilization and performance. This paper examines semi-analytical solution (SAS) methods as the coarse operators of the Parareal algorithm and explores performance of the SAS methods to the standard numerical time integration methods. Two promising time-power series-based SAS methods were considered; Adomian decomposition method and Homotopy analysis method with a windowing approach for improving the convergence. Numerical performance case studies on 10-generator 39-bus system and 327-generator 2383-bus system were performed for these coarse operators over different disturbances, evaluating the number of Parareal iterations, computational time, and stability of convergence. All the coarse operators tested with different scenarios have converged to the same corresponding true solution (if they are convergent) and the SAS methods provide comparable computational speed, while having more stable convergence to the true solution in many cases.

97 MATHEMATICS AND COMPUTING↗

DOE OSTI2025

Analytical Identification Method of Generalized Short‐Circuit Ratio Using Phasor Measurement Units

This paper introduces a novel analytical approach for the identification of the admittance matrix and the generalized short-circuit ratio (gSCR) in power systems integrated with renewable energy sources. The proposed method leverages voltage and current measurements from phasor measurement units (PMUs) to construct a least squares objective function, which is then solved using matrix calculus and partial derivatives. Unlike conventional optimization algorithms, this approach provides an analytical solution that substantially reduces data requirements, enabling the efficient and accurate identification of the gSCR with smaller datasets. Additionally, its fixed computational complexity allows for real-time updates as new data are collected, ensuring continuous refinement of the system of equations and enabling rapid, precise gSCR calculations. The method also exhibits strong robustness against measurement noise, making it well-suited for practical applications in dynamic power systems. The combination of reduced data requirements, real-time adaptability, noise robustness and fixed computational load establishes this method as a highly efficient and reliable tool for real-time power system stability analysis. Case studies on an EPRI 36-bus system demonstrate the method's effectiveness, highlighting its accuracy in closely matching true gSCR values, even under diverse disturbances and noisy conditions.

Han, Zelei [Hohai University, Nanjing (China)] (OR↗

DOE OSTI2021

Numerical and Analytical Modeling of the Effect of Cracks on the Self-Inductance of a COTS YJ-41003-TC Toroid

COTS inductors and transformers often contain partial cracks whose effect on inductance, a key performance parameter, have not been carefully studied. In this report, the effects of both partial and complete cracks on the self-inductance of a 100 turn square cross section COTS YJ-41003-TC toroid comprised of J Material was comprehensively investigated using both analytically derived closed form expressions and 3D computational techniques employing commercial codes. Both partial (half-penny) and complete (air gap) cracks of 10 and 25 μm were investigated. The crack is defined as the physical distance between two faces of the toroid's magnetic core, such that the surface normal of either face is along the Φ-direction, in alignment with the B-field. For the purposes of validation, two different approaches were incorporated for both the analytical and numerical models. The two analytical methods are comprised of a first principles approach based on the physics of electromagnetics, as well as linear circuit theory. The former directly utilizes the integral form of Maxwell's equations while the latter exploits the interchangeable relationship between electric and magnetic circuits. Validation within the computational scheme is realized through a code-to-code comparison between commercial solvers, COMSOL Multiphysics and CST, with the former employing the Finite Element Method (FEM) and the latter the Finite Difference Time Domain (FDTD) technique. Sound agreement between all four methods (ie., two analytical and two numerical) is observed, with results indicating that only a perturbation in self-inductance occurs for the half-penny cracks, while a substantial reduction takes place for the case of complete cracks. It is important to note that even though a static μ r is applied, representing the linear region of the BH curve (based on manufacturer specifications), the complete crack results still place a lower conservative bound on the inductance. This follows from the fact that even in the case of a half-penny crack, if the magnetic core portion of the crack approaches saturation, the crack begins to behave like an air gap, or complete crack. When an air gap is introduced into a magnetic core, a substantial reduction in inductance can occur due to the significant difference in permeabilities between the two mediums (ie., μ core >> μ air ). The once intact bulk magnetic core of the toroid essentially begins to behave like an air core.

36 MATERIALS SCIENCE↗

DOE OSTI2024

Application of C ( t )-Integral Solutions in Extending ASME BPVC Section XI Division 2 Code Case N-934 for Transient Creep Crack Growth

Creep crack growth is a phenomenon which arises in damaged metallic structures under combined primary and secondary loads in the creep regime. The High Temperature Flaw Evaluation Code Committee of the American Society of Mechanical Engineers Boiler and Pressure Vessel Code (BPVC) is evaluating methods in extending Code Case N-934 to capture transient creep crack growth. Here, this paper provides context and basic examples on the selected approach to transient creep crack growth methods based on the C(t)-integral. The basis for selected C(t)-integral solution as analytical method is established, including an overview of its derivation. Practical assessments of a crack growing under creep conditions in a realistic component are conducted to illustrate the analytical approach. Additional considerations in the application of the analytical methods and limitations are discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2023

Introduction of a Variable Inductance Transformer for the Design of Resonant Power Converters

Magnetic integration is a hot topic in power electronics that concerns the use of a transformer’s leakage and magnetizing inductances purposefully in isolated power electronic converters, thereby giving the opportunity to save the cost and footprint of any additional inductor. This is of prime interest, especially in CLLLC resonant converters which require up to three inductors. For a complete integration of these inductances, the concept of a variable inductance transformer (VIT) is introduced in this thesis. A VIT is an adaptive magnetic structure that facilitates an easy adjustment of both magnetizing and leakage inductances to meet their desired values. However, for a more promising design, an accurate estimation of these inductances is necessary. While the evaluation of magnetizing inductance is quite straightforward, the calculation of leakage inductance is rather convoluted, because the leakage inductance is influenced by both the winding layout and the operating frequency. In this thesis, three new semi-analytical methods for calculating the frequency-independent leakage inductance, and a novel semi-analytical method for evaluating the frequency-dependent leakage inductance are proposed. These methods can calculate the respective leakage inductances of a VIT within an outstanding ±5% uncertainty. Finally, a bidirectional CLLLC resonant dc-dc converter is investigated for the constant current constant voltage (CCCV) charging of the next-generation 900 V traction battery of an electric vehicle. A new voltage gain equation is derived for designing the CLLLC resonant tank, and a small-signal model is presented for designing the variable-frequency feedback controller. Furthermore, a new methodology to design a VIT is developed to overcome the challenges associated with small coupling coefficients and guarantee a complete magnetic integration of the tank inductances. All theoretical results presented herein are verified through simulations and experiments performed on hardware prototypes designed in the lab.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2020

Ambient Mass Spectrometry Rapid Analysis Methods for Trace Inorganics

The ability to rapidly detect and characterize the chemistry of trace quantities of inorganic species has multiple potential applications, including nuclear safeguards, nuclear forensics, and environmental monitoring. Some mass spectrometric methods currently exist, but they are costly and time-intensive, often destroying chemical information in the process of ionization. Ambient mass spectrometry is a relatively new analytical method in which samples are introduced to the mass spectrometer from atmospheric pressure, rather than from high vacuum. Ambient MS can operate with gentler ionization methods such as electrospray ionization (ESI) and paper-spray ionization (PSI), reducing fragmentation and preserving the chemical information of the analyte. This may be useful for determining the intended purpose of material in a sample. Strontium, part of nuclear fallout, is analyzed here to test these new analytical methods for viability. Electrospray ionization mass spectrometry functions by spraying the sample as a solution through a needle charged to a few kV. A nebulizing gas flows out along with the sample to create the spray before droplets enter a drying chamber with heated drying gas to remove the solvent molecules. From there bare analyte ions enter the mass spectrometer. This method has the advantage of relatively fast sample preparation and stable ionization. More stable ionization produces higher-quality data. Paper-spray ionization mass spectrometry operates by applying sample to a paper triangle. The paper triangle is then electrified in a metal clamp to a few kV before spray solvent is applied. The spray solvent transports analyte in the sample to the tip, where it is ionized and enters the mass spectrometer. One advantage of this method is reduced sample preparation - an analyst can even swipe a surface and cut a triangle directly from the swipe. The data analysis serves to rapidly process tens of samples all at once. The mass spectrometer outputs a file containing a few hundred spectra for each sample. The pipeline processes each one to identify peaks of interest. A full palette of data analysis metrics are generated, including plots of the raw data and plots of calculated values such as isotopic ratios. The pipeline filters the raw data to remove noise and background peaks, as well as peaks representing detector saturation. A heat map is generated to show the overall spectrum in mass-time- intensity space. Post-processing, we obtained the desired calibration curves, demonstrating that both ESI-MS and PSI-MS are viable methods for quantifying trace amounts of inorganics while retaining their chemical speciation information. ESI-MS demonstrated a linear response region of 100 ppb to 20 ppm, with a limit-of-detection of around 100 ppb. At top left is an example spectrum with the {sup 88}SrNO{sub 3} peak identified to show the retention of chemical speciation. PSI-MS showed a linear response region of around 1 ppb to 1 ppm, with a limit-of-detection of near 1 ppb. PSI-MS produced more erratic results than ESI-MS, likely due to the variability in ionization resulting from manual positioning of the paper triangle near the MS inlet. Future efforts will focus on improving the repeatability of PSI-MS as well as analyzing other species of interest such as cerium and uranium. Improvements will also be made to create more reliable data extraction and intelligent data filtering.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2021

Critical values of cyber parameters in a dynamic microgrid system

An islanded microgrid can be used to serve critcal load as a resiliency source when a severe outage occurs. In an islanded mode, control of a microgrid relies on the communication system significantly. Hence, microgrids are cyberphysical systems and, therefore, the cyber system plays a crucial role in the performance of the cyber-power system. A microgrid control scheme is proposed for power dispatch and regulation based on the droop and proportional-integral (PI) feedback control. The proposed control strategy is validated for transient stability following dynamic events. To evaluate the impact of a networked control system on control performance, a cyber model is developed to represent data acquisition periods and communication delays. An analytical method is proposed to determine the critical values for the data reporting periods and communication delays. The analytical method based on a state space model of a networked control system is applicable for large-scale systems. A 2-dimensional stability region of a microgrid in the space of cyber parameters can be obtained by the proposed method, and the critical values of cyber parameters are determined based on the stability region. Simulation results validate that the design of a microgrid as a cyber-physical system needs to be guided by critical values for the data reporting period and communication delay to prevent system instability.

24 POWER TRANSMISSION AND DISTRIBUTION↗

DOE OSTI2023

Modeling, testing, and mitigation of electromagnetic pulse on PV systems

Electromagnetic Pulse (EMP) poses a significant threat to the normal operation of power systems, especially with the increasing penetration of renewable energy. Without adequate protection, EMP can severely damage equipment or result in circuit breakdowns or short circuits. Solar photovoltaic (PV) facilities are particularly susceptible to EMP since PV systems are outdoors and exposed to EMP radiation. To assess and mitigate this threat, this paper summarizes various models and tests used to study the effects of EMP on PV systems, assesses the nature of the threat, and identifies measures to mitigate it. The paper provides a comprehensive review by categorizing analytical methods based on their pros and cons, introducing and describing EMP-related events, and providing a taxonomy of analytical methods for studying EMP. This paper compares the processes of modeling, testing, and mitigating EMP at both the component and system levels of PV systems. Furthermore, it also presents a case study that reveals the vulnerability of solar inverters to EMP using the pulse current injection method. Finally, the paper discusses some of the remaining challenges that should be considered in future solar PV system design and deployment.

14 SOLAR ENERGY↗

DOE OSTI2023

ICP-MS For Analysis of Lithium Isotopic Ratios in Materials Highly Enriched in 7Li - CRADA 626 (Abstract)

The purpose of this project is to develop analytical methods that can be deployed for analysis of lithium isotope enrichment products. One method involves rapid, high-throughput, relatively low precision analysis for direct monitoring of enrichment processes. A second method involves slower, but more precise analysis of final products of the enrichment process. We will use commercially available analytical equipment (quadrupole base inductively coupled plasma mass spectrometry and multi-collector magnetic sector inductively coupled plasma mass spectrometry) so that the analytical methods developed can be applied broadly.

07 ISOTOPE AND RADIATION SOURCES↗

DOE OSTI2020

Prediction for Pressure Differential Across HEPA Filter Media Based on Media Characteristics and Particle Size Distribution

A new method for predicting the pressure drop across High Efficiency Particulate Air (HEPA) filter media is proposed based upon mass deposited onto the filter and known physical characteristics of the filter media. Detailed are the methods used in conjunction with current filter loading models to predict the pressure drop, as well as tests conducted to validate the methods. The benefit of a prediction model for practical use lies in the manufacturing and service life of nuclear grade HEPA filters. HEPA filters for use in nuclear facilities have a prescribed expiration date and a maximum allowable operating pressure drop. Therefore, the ability to predict the pressure drop across a filter and relate it to an expected length of service time can enable a reduction in wasted filters. This will allow for more informed decisions to be made based upon the dictated life cycle of the filters. Also, understanding and predicting how the pressure drop of HEPA filter media behaves as a function of physical characteristics and loaded mass can assist in future design and manufacturing of filter media. Currently, most existing pressure drop models are either computationally based or analytical methods relying on data gathered during tests. Neither are practical for prediction; the computational methods are difficult to implement, and the current analytical methods are more useful as tools for analysis. The current analytical model developed by Bergman et al. is based upon the pressure drop from each media fiber and modeling the deposited particles as newly formed fibers. Using Bergman's model and the media properties, air properties, and known aerosol particle size distribution, a pressure drop curve as a function of loaded mass can be created. This curve implies initial loading in the depth of the filter media with a transition to pure surface loading on the filter face, and a sensitivity to an evolving particle size distribution as mass continues to load onto the filter. To implement the predictive model, knowledge of the mean filter fiber diameter and porosity of the filter media is required. Traditionally, the mean fiber diameter is calculated as an effective diameter from prior media testing, however, in this study a Scanning Electron Microscope (SEM) technique is used to acquire this variable. Validation of the predictive model is provided by flat sheet media tests under a controlled environment with a measured particle size distribution of the challenge aerosol and shows reasonable preliminary agreement.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2023

Proton nuclear magnetic resonance (1H NMR) of flammable organic chemicals in radioactive high–level supernatant waste at the Savannah River Site (SRS)

The Savannah River Site stores approximately 36 million gallons of radioactive and hazardous waste that contains approximately 245 million curies. The waste is sent through various chemical processes to reduce its volume and to separate various components. The facility plans to replace formic acid (a chemical used to reduce soluble mercury) with glycolic acid. Recycle solution with glycolate may flow back to the tank farm, where the glycolate can generate hydrogen gas by thermal and radiolytic mechanisms. The current analytical method for detecting glycolate (ion chromatography) in supernatant requires a large dilution to reduce interference from the nitrate anions. Hydrogen nuclear magnetic resonance is an analytical method that requires less sample dilution. It takes advantage of the CH 2 group in glycolate. Liquid samples were spiked with four different levels of glycolate to build a calibration line, as it is recommended in the standard addition method. The detection and quantitation limits determined were 1 and 5 ppm, respectively, for 32 scans, which is well below the process limit of 10 ppm. In one test, 800 scans of a supernatant spiked with 1 ppm glycolate resulted in a -CH 2 peak with a signal-to-noise ratio of 36.

1H↗

DOE OSTI2020

Time Domain Thermoreflectance and Photodeflection Signatures of He Bubbles in Metals

The mechanical properties of the steel and weldments for different components are affected by the formation of helium bubbles as a result of tritium decay. Therefore, periodic analyses of metals exposed to tritium gas are conducted to determine structural defects and temporal damage from tritium gas decay and He precipitation. Transmission electron microscopy (TEM) and autoradiography are the current analytical methods for the evaluation of metal damage. These methods are functional after several years of damage to the crystal lattice where 3He bubble formation damage can be seen with TEM. New analytical methods that can assess the damage to the crystal lattice early during the exposure to tritium are highly sought to ascertain the effects of material processing and tritium interactions. Further, simple sample preparation, compared to TEM, at a significantly reduced cost is highly desirable. A pump-probe laser technique using a femtosecond laser has been demonstrated to measure the thermal diffusivity of different materials. The time domain thermoreflectance (TDTR) laser setup can provide thermal diffusivity and phonon lifetime, which can be correlated with lattice damage. This advanced nonlinear optical technique will enable measurements of nanostructure damage in the metal before and after tritium exposure within a year. This report discusses current efforts in the design and development of the technique and the application to material characterization.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2025

Correlations between the Neutron Star Mass–Radius Relation and the Equation of State of Dense Matter

We develop an analytic method of inverting the Tolman–Oppenheimer–Volkoff relations to high accuracy. In principle, a specified energy density–pressure relation gives a unique mass–radius (M–R) relation and vice versa. Our method is developed from the strong correlations that are shown to exist between the neutron star mass–radius curve and the equation of state (EOS) or pressure–energy density relation. Selecting points that have masses equal to fixed fractions of the maximum mass, we find a semi-universal power-law relation between the central energy densities, pressures, sound speeds, chemical potentials, and number densities of those stars, with the maximum mass and the radii of one or more fractional maximum mass points. Rms fitting accuracies, for EOSs without large first-order phase transitions, are typically 0.5% for all quantities at all mass points. The method also works well, although less accurately, in reconstructing the EOS of hybrid stars with first-order phase transitions. These results permit, in effect, an analytic method of inverting an arbitrary M–R curve to yield its underlying EOS. We discuss applications of this inversion technique to the inference of the dense matter EOS from measurements of neutron star masses and radii as a possible alternative to traditional Bayesian approaches.

Bayesian statistics↗

DOE OSTI2020

Analytical and Computational Advances, Opportunities, and Challenges in Marine Organic Biogeochemistry in an Era of “Omics”

Advances in sampling tools, analytical methods, and data handling capabilities have been fundamental to the growth of marine organic biogeochemistry over the past four decades. There has always been a strong feedback between analytical advances and scientific advances. However, whereas advances in analytical technology were often the driving force that made possible progress in elucidating the sources and fate of organic matter in the ocean in the first decades of marine organic biogeochemistry, today process-based scientific questions should drive analytical developments. Several paradigm shifts and challenges for the future are related to the intersection between analytical progress and scientific evolution. Untargeted “molecular headhunting” for its own sake is now being subsumed into process-driven targeted investigations that ask new questions and thus require new analytical capabilities. However, there are still major gaps in characterizing the chemical composition and biochemical behavior of macromolecules, as well as in generating reference standards for relevant types of organic matter. Field-based measurements are now routinely complemented by controlled laboratory experiments and in situ rate measurements of key biogeochemical processes. And finally, the multidisciplinary investigations that are becoming more common generate large and diverse datasets, requiring innovative computational tools to integrate often disparate data sets, including better global coverage and mapping. Here, we compile examples of developments in analytical methods that have enabled transformative scientific advances since 2004, and we project some challenges and opportunities in the near future. We believe that addressing these challenges and capitalizing on these opportunities will ensure continued progress in understanding the cycling of organic carbon in the ocean.

59 BASIC BIOLOGICAL SCIENCES↗

DOE OSTI2020

Characterizing Variability in Lignocellulosic Biomass: A Review

Feedstock variability is a significant barrier to the scale-up and commercialization of lignocellulosic biofuel technologies. Variability in feedstock characteristics and behavior creates numerous challenges to the biorefining industry by affecting continuous operation and biofuels yields. Recently, feedstock variability is understood and explained largely on the basis of chemical composition. Physical and mechanical properties and behavior of lignocellulosic feedstock in various unit operations, studied through advanced analytical methods, can further explain variability. Such studies will enable us in developing processes and designing equipment to improve operation and conversion performance. In this perspective, we review several advanced analytical methods that measure density, moisture content, thermal properties, flowability, grindability, rheology properties, and micromorphological characteristics. We also discuss the correlations and interactions among these properties that reflect the complexity of lignocellulosic biomass as a feedstock and the associated quality metrics and logistics of supplying consistent quality feedstock to a biorefinery. We further examine methods that have not traditionally been used to characterize lignocellulosic feedstocks but have the potential to bridge the gap in our explanation of feedstock variability.

09 BIOMASS FUELS↗

DOE OSTI2020

Uncovering Uranium Isotopic Heterogeneity of Fuel Pellets from the Fifth Collaborative Materials Exercise of the Nuclear Forensics International Technical Working Group

In 2017, the Nuclear Forensics International Technical Working Group (ITWG) organized their fifth 37 Collaborative Materials Exercise (CMX-5). The exercise samples were two uranium dioxide fuel pellets 38 manufactured from the same starting materials by different processes to have similar bulk isotopic 39 composition, but different spatial uranium isotopic distributions. Sets of identical materials were sent to 40 all participating laboratories, who then utilized their existing nuclear forensic capabilities to 41 independently analyse fuel pellets and identify similarities and differences of the materials’ 42 characteristics. The analytical methods used to probe the fuel pellets included ex situ, such as sectioning 43 or breaking up the pellets and analyzing dissolved pieces using inductively coupled plasma mass 44 spectrometry (ICP-MS), analyzing particles collected from intact or fragmented pellets by secondary ion 45 mass spectrometry (SIMS), as well as in situ methods, such as laser ablation coupled with ICP-MS, 46 autoradiography and nanoSIMS. In this paper we present the results of these independent analyses and 47 compare the capabilities of those nuclear forensic analytical methods to uncover details of the isotopic 48 heterogeneity of uranium fuel pellets.

Nuclear Forensic Analysis of Uranium Fuel Pellets,↗

DOE OSTI2022

Characterizing Radiation-Induced Chromium Redox Chemistry

The redox behavior of Cr(III) and Cr(VI) in nuclear environments were studied by analyzing aqueous irradiated chromium ions using UV-Visible spectroscopy. The formation of different chromium oxidation states can occur through gamma radiolysis of chromium solutions. Characterization of radiation-induced chromium is not well understood, and yet important as chromium can make its way into the primary coolant of reactors because of the corrosion of stainless steel reactor components. Furthermore, Cr(VI) is toxic and not suitable for environmental release, therefore Cr speciation is important. Fricke dosimetry was performed to collect doses rates, specific extinction coefficients were obtained from various analytical methods for the two oxidation states of chromium. Chromium samples--conditioned at various pH's and concentration to understand the effects--were then irradiated using a Coblat-60 gamma irradiator. Three optical spectroscopy analytical methods were used , including direct oxidation state measurements and complexation by either EDTA or DPC. Complexation by EDTA was found to not be a reliable method. Radiolytic oxidation of Cr(III) to Cr(VI), and reduction of Cr(VI) to Cr(III) were clearly seen, except for Cr(III) samples were a pH less than or equal to 2, where no change occurred.

38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗

DOE OSTI2023

Developing Methodology to Determine Pu Isotopic Composition by Laser Ablation MC-ICP-MS

This project will develop methodology to analyze the Pu isotope ratio in mixed U-Pu particles by laser ablation MC-ICP-MS. This will involve: 1) testing and validation of the Pu analytical method using mixed U-Pu solutions and Pu doped glasses, 2) isotopic analysis of mixed U-Pu particles by laser ablation MC-ICP-MS, and 3) continued development of the R-based data reduction program. Details regarding the analytical method development and results of QC testing will be output as a deliverable to the IAEA, along with an updated version of the LARA data reduction software.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗