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At least 235 records · Page 13

SU-F-I-80: Correction for Bias in a Channelized Hotelling Model Observer Caused by Temporally Variable Non-Stationary Noise

Purpose: Application of a channelized Hotelling model observer (CHO) over a wide range of x-ray angiography detector target dose (DTD) levels demonstrated substantial bias for conditions yielding low detectability indices (d’), including low DTD and small test objects. The purpose of this work was to develop theory and methods to correct this bias. Methods: A hypothesis was developed wherein the measured detectability index (d’b) for a known test object is positively biased by temporally variable non-stationary noise in the images. Hotelling’s T2 test statistic provided the foundation for a mathematical theory which accounts for independent contributions to the measured d’b value from both the test object (d’o) and non-stationary noise (d’ns). Experimental methods were developed to directly estimate d’o by determining d’ns and subtracting it from d’b, in accordance with the theory. Specifically, d’ns was determined from two sets of images from which the traditional test object was withheld. This method was applied to angiography images with DTD levels in the range 0 to 240 nGy and for disk-shaped iodine-based contrast targets with diameters 0.5 to 4.0 mm. Results: Bias in d’ was evidenced by d’b values which exceeded values expected from a quantum limited imaging system and decreasing object size and DTD. d’ns increased with decreasing DTD, reaching a maximum of 2.6 for DTD = 0. Bias-corrected d’o estimates demonstrated sub-quantum limited performance of the x-ray angiography for low DTD. Findings demonstrated that the source of non-stationary noise was detector electronic readout noise. Conclusion: Theory and methods to estimate and correct bias in CHO measurements from temporally variable non-stationary noise were presented. The temporal non-stationary noise was shown to be due to electronic readout noise. This method facilitates accurate estimates of d’ values over a large range of object size and detector target dose.

60 APPLIED LIFE SCIENCES↗

Multi-scale topology optimization of multi-material structures with controllable geometric complexity — Applications to heat transfer problems

This study presents a topology optimization method to design assemblies of periodic cellular materials with controllable geometric complexity. The framework is based on a novel multi-scale and multi-material design model in which the structure, the layout of the material subdomains, and their micro-structures are optimized concurrently. To allow a tight control over its geometrical complexity, the layout at the macro-scale is described by level-set fields, parameterized by geometric primitives. The micro-scale geometry is represented through a density approach. A nonlinear programming algorithm drives the optimization process using design sensitivities computed by the discrete adjoint method. The proposed design framework is studied with heat transfer problems. Practical design problems, such as a heat sink and a thermal storage unit with phase change are discussed. The macro-scale analysis model relies on a generalized transient diffusion equation. At the micro-scale, homogenization is used to compute equivalent material properties. The numerical examples in this study show that the optimized multi-scale multi-material layouts outperform the corresponding mono-scale structures while maintaining geometric simplicity at the macro-scale level.

42 ENGINEERING↗

Efficient propagation of systematic uncertainties from calibration to analysis with the SnowStorm method in IceCube

Efficient treatment of systematic uncertainties that depend on a large number of nuisance parameters is a persistent difficulty in particle physics and astrophysics experiments. Where low-level effects are not amenable to simple parameterization or re-weighting, analyses often rely on discrete simulation sets to quantify the effects of nuisance parameters on key analysis observables. Such methods may become computationally untenable for analyses requiring high statistics Monte Carlo with a large number of nuisance degrees of freedom, especially in cases where these degrees of freedom parameterize the shape of a continuous distribution. In this paper we present a method for treating systematic uncertainties in a computationally efficient and comprehensive manner using a single simulation set with multiple and continuously varied nuisance parameters. Finally, this method is demonstrated for the case of the depth-dependent effective dust distribution within the IceCube Neutrino Telescope.

79 ASTRONOMY AND ASTROPHYSICS↗

Description of Sensor Assignment Optimization Method as Deployed on a Multi-Node Cluster

Data analytic methods are being developed to address the problem of how to assign a sensor set in a nuclear facility such that a requisite level of process monitoring capability is realized and that the sensor set is sufficiently rich to determine the status of the individual sensors with respect to need for calibration. There is an awareness in the nuclear industry that data analytics combined with rich sensor sets represent a means to improve operations and reduce costs. In the industry the calibration problem has been previously approached as an empirical data-driven problem with several methods having been developed. However, the experience of the utilities over the past ten years with these methods indicates that the absence of physics-based information renders the data-driven approach less reliable. Complicating factors such as the inherent variability of operation (both equipment alignment and operating condition) can confound a pure data-driven approach while there are no rigorous guidelines for determining what constitutes an adequate sensor set. The solution under development to overcome these shortcomings supplements the data analytic method with process information in a so-called process-constrained data-analytic approach. Simple balance equations are written for generic components (e.g., mechanical pump, valve, and heat exchanger). These do not require a priori knowledge of process parameters, such as heat transfer coefficients or friction factors. All that is needed on the part of the utility user is to identify the components and how they are connected. This report describes the development of a parallel computing capability for determining the optimal sensor set. The optimal sensor set problem suffers from the curse of dimensionality. Computation time increases exponentially as the size of the system grows. To overcome this difficulty a pre-conditioner algorithm is developed to find an approximate solution close the actual solution. This serves as a seed for the full-blown algorithm and acts to constrain the space that must searched. The optimization algorithms are described and the implementation on a parallel computing platform is described. The application of the method to a use case we are solving in collaboration with our utility partner served to illustrate how the default sensor set in a nuclear plant may not provide sufficient coverage to infer sensor calibration status.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Fundamental Vibrational Analyses of the HCN Monomer, Dimer and Associated Isotopologues

In this work we provide high level ab initio treatments of the structures, vibrational frequencies, and electronic energies of the HCN monomer and dimer systems along with several isotopologues. Additionally, the plethora of information related to this system within the literature is summarized and serves as a basis for comparison with the results of this paper. The geometry of the dimer and monomer are reported at the all electroncoupled-cluster singles, doubles, and perturbative triples level of theory [AE-CCSD(T)] with the correlation consistent quadruple-zeta quality basis sets with extra core functions (cc-pCVQZ) from Dunning. The theoretical geometries and electronic structures are further analyzed through the use of the Natural Bond Orbital (NBO) method and Natural Resonance Theory (NRT). At the AE-CCSD(T)/cc-pCVQZ level of theory, the full cubic with semi-diagonal quartic force field for nine dimer and four monomer isotopologues (the parent isotopologue along with 15N, 13C, and D derivatives) were obtained to treat the anharmonicity of the vibrations via second order vibrational perturbation theory (VPT2). Lastly, the enthalpy change associated with the formation of the dimer from two monomer units was determined using the focal point analysis. Computations including coupled-cluster through perturbative quadruples as well as basis sets up to six-zeta quality, including core functions (cc-pCVXZ, X=D,T,Q,5,6) were used to extrapolate to the AE-CCSDT(Q)/CBS energy associated with this hydrogen-bond forming process. After appending anharmonic zero-point vibrational, relativistic, and diagonal Born-Oppenheimer corrections, we report a value of -3.93 kcal mol -1 for the enthalpy of formation. To our knowledge, each set of results (geometries, vibrational frequencies, and energetics) reported in this study represents the highest-level and most reliable theoretical predictions reported for this system.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Studies on Workability of Geopolymer Solidification - 18171

In Japan, intermediate-level radioactive waste, such as spent resin, is solidified and set in sealed containers without venting. To reduce the amount of hydrogen generated due to water radiolysis in stored intermediate-level waste, geopolymer solidification has been studied. Geopolymer solidification is an excellent method for conditioning intermediate-level waste from the viewpoint of its high thermal stability and low processing cost. However, it has a problem that the apparent viscosity increases drastically a few minutes after the onset of setting. This may cause some trouble in the process of pouring the geopolymer into drums and mixing it with waste. In this study, in order to control the workability of a geopolymer mixture, we investigated the effects of the compounding ratio and the kinds of chemical agents used. We confirmed that the geopolymer reaction was slowed down by reducing the amount of calcium and adding boron. The uniaxial compressive strength of the geopolymer was 3-80 MPa. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Formally Verified ZTA Requirements for OT/ICS Environments with Isabelle/HOL

The clean energy transformation includes the integration of distributed energy resources with the power grid, which has led to a substantial increase in the complexity of power grids infrastructure and the underlying operational technology environment. Power grids infrastructure represents an operational technology environment that has become a system of systems, integrating heterogeneous devices which are both software-and hardware-intensive; as a result, there are increasing demands to exploit advances in the commodity of software-hardware infrastructures to improve energy systems requirements such as cybersecurity and resilience. In such a setting, system requirements at different levels mix, which leads to vulnerabilities and undesirable outcomes. The use of formal methods to characterize and prove system requirements removes ambiguity, increases automation, and provides high levels of assurance and reliability. In this paper, we contribute a methodology and a framework for the system-level verification of zero trust architecture requirements in operational technology environments. We define a formal specification for the core functionalities of operational technology environments, the corresponding invariants, and security proofs. Of particular note is our modular approach for the formal verification of asynchronous interactions in operational technology environments. The formal specification and the proofs have been mechanized using the interactive theorem proving environment Isabelle/HOL.

formal methods↗

Energy levels, oscillator strengths, line strengths, and transition probabilities in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI

Detailed calculations using the multi-configuration Dirac–Fock (MCDF) method are carried out for the lowest 64 fine-structure levels of the 3s{sup 2}3p{sup 2}, 3s{sup 2}3p3d, 3s3p{sup 3}, 3s3p{sup 2}3d, 3s{sup 2}3d{sup 2}, and 3p{sup 4} configurations in Si-like ions of La XLIII, Er LIV, Tm LV, and Yb LVI. Energies, oscillator strengths, wavelengths, line strengths, and radiative electric dipole transition rates are given for all ions. A parallel calculation using the many-body perturbation theory (MBPT) method is also carried out to assess the present energy levels accuracy. Comparisons are performed between these two sets of energy levels, as well as with other available results, showing that they are in good agreement with each other within 0.5%. These high accuracy results can be used to the modeling and the interpretation of astrophysical objects and fusion plasmas. - Highlights: • Energy levels and E1 transition rates of Si-like ions are presented. • Breit interaction and Quantum Electrodynamics effects are discussed. • Present results should be useful in the astrophysical application and plasma modeling.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

On the Impact of Bus Dwelling on Macroscopic Fundamental Diagrams

Network macroscopic fundamental diagrams (MFDs) have recently been shown to exist in real-world urban traffic networks. When present, MFDs can be used to model traffic dynamics within an urban network by dividing the network into a set of spatially compact homogeneous regions and tracking the average level of congestion in each region. Existing analytical methods to estimate MFD mostly focus on the behavior of a single type of vehicle and do not capture the patterns of mixed traffic (e.g., cars and buses). The existence of buses matters since a bus will block the movements of other vehicles when it dwells at the bus stop. This paper proposes an analytical method to estimate the impact of bus dwelling on a network’s MFD based on the network’s geometric features, traffic control strategies, and bus operation parameters, and validates the performance of the proposed method using simulations based on microscopic traffic models. Comparisons of the analytical and simulation results show that the proposed analytical method can generally provide a good estimate of the lower bound and upper bound of the network’s MFD.

Xu, Guanhao↗

Peroxyacetyl radical: Electronic excitation energies, fundamental vibrational frequencies, and symmetry breaking in the first excited state

Peroxyacetyl radical [CH{sub 3}C(O)O{sub 2}] is among the most abundant peroxy radicals in the atmosphere and is involved in OH-radical recycling along with peroxyacetyl nitrate formation. Herein, the ground (X{sup ~}) and first (A{sup ~}) excited state surfaces of cis and trans peroxyacetyl radical are characterized using high-level ab initio methods. Geometries, anharmonic vibrational frequencies, and adiabatic excitation energies extrapolated to the complete basis-set limit are reported from computations with coupled-cluster theory. Excitation of the trans conformer is found to induce a symmetry-breaking conformational change due to second-order Jahn-Teller interactions with higher-lying excited states. Additional benchmark computations are provided to aid future theoretical work on peroxy radicals.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Implementation and benchmark of a long-range corrected functional in the density functional based tight-binding method

Bridging the gap between first principles methods and empirical schemes, the density functional based tight-binding method (DFTB) has become a versatile tool in predictive atomistic simulations over the past years. One of the major restrictions of this method is the limitation to local or gradient corrected exchange-correlation functionals. This excludes the important class of hybrid or long-range corrected functionals, which are advantageous in thermochemistry, as well as in the computation of vibrational, photoelectron, and optical spectra. The present work provides a detailed account of the implementation of DFTB for a long-range corrected functional in generalized Kohn-Sham theory. We apply the method to a set of organic molecules and compare ionization potentials and electron affinities with the original DFTB method and higher level theory. The new scheme cures the significant overpolarization in electric fields found for local DFTB, which parallels the functional dependence in first principles density functional theory (DFT). At the same time, the computational savings with respect to full DFT calculations are not compromised as evidenced by numerical benchmark data.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

North Slope of Alaska XSAPR b1 Data Processing Report: May 2025-April 2026

The U.S. Department of Energy’s Atmospheric Radiation Measurement (ARM) User Facility operates an X-band Scanning ARM Precipitation Radar (XSAPR) at the North Slope of Alaska (NSA) atmospheric observatory in Utqiaġvik. This radar provides year-round dual-polarization measurements of snow and ice in an arctic environment. Over the past few years, there has been greater focus on the NSA XSAPR, and recent efforts by ARM staff have resulted in quality-controlled, b-level data (Rocque et al. 2026b). This report outlines the processing of the second set of b-level data released for this radar from May 2025 through April 2026 following similar methods from Rocque et al. (2026b).

54 ENVIRONMENTAL SCIENCES↗

A Solid of Revolution Time Study using COG11.1 and MCNP6.1

The performance of two continuous energy Monte Carlo transport codes, COG11.1 and MCNP6.1, has been compared for the {sup 239}Pu Jezebel Benchmark using cross sections based on the ENDF/B-VII.1 evaluated nuclear data library. The purpose of this study is to determine the length of time it takes each code to complete a series of criticality calculations, using two different methods to model a solid of revolution. A solid of revolution is essential in many fields of engineering and mathematics, and has been a standard feature in computer-aided design and manufacturing since the 1970's. In the field of criticality safety, a solid of revolution can be used to reproduce and simplify complex engineering drawings and systems that would otherwise require excessive use of geometric primitives and computational resources to achieve a comparable level of fidelity. There are two basic methods to model a solid of revolution: Method 1 (COG) specifies a set of x-y pairs or polar coordinates and rotate the curve about the x-axis. Method 2 (COG and MCNP) creates a set of end-to-end conical frustums and/or cylinders. Method 1 is only available in COG and can be implemented using one surface and sector specification. Method 2 can be implemented in both COG and MCNP. This time study was initially conceived as a result of criticality safety analysis performed for a complex system with a high degree of rotational symmetry. Each COG input deck typically took 1-2 days to run in serial mode. COG input decks were then converted to MCNP format and run on the same computer cluster. Instead of expected 1-2 day runtimes, it took MCNP6.1 more than one week to complete each run. Since MCNP typically runs faster than many codes, these lengthy runtimes were considered unusual. This study attempts to investigate the runtime discrepancy between the two codes. The methods and benchmark in this time study were selected to provide a consistent, generalized approach to modeling an arbitrary solid of revolution. While there are many different ways to model the {sup 239}Pu Jezebel Benchmark, the focus of this study is on investigating the practical difference between the two basic methods to model a surface of revolution. Throughout this study, the only code that maintains reasonably low runtimes is COG11.1 (Method 1). Based on the observed performance of each code and method, it is likely that the divergent runtimes are the result of tracking particles across planes that lie between conical frustums, as opposed to defining the object boundary as a single surface. Slight fluctuations in graphed results were also observed, due to random sampling and CPU loading. This was confirmed by re-running input decks and comparing average runtimes to a preliminary curve fit. From the perspective of a criticality safety analyst, the results of this study are expected to contribute towards understanding one of the practical trade-offs between codes and methods as they apply to real-world analysis. Ultimately, it's about choosing the right tool for the job.

97 MATHEMATICS AND COMPUTING↗

Metallic Low-Level Waste (LLW) Handling Options: An Optimal Life cycle-Based Approach for North American Operations - 19413

Daily activities associated with nuclear power plant operations produce large volumes of low-level contaminated waste. During operation, a small percentage of this low-level waste is metallic (< 1% by volume). However, this figure increases materially when a facility is finally decommissioned, with approximately 1000 m{sup 3} of contaminated metal waste generated for every 1 GW decommissioned (13% by volume). With global nuclear decommissioning efforts expected to increase until 2050, the amount of low-level metallic waste generated is expected to increase the global inventory by over an order of magnitude. The high cost of conventional surface storage and burial of radioactive metal, coupled with the projected increase in low-level metallic waste volumes provides strong incentive to identify cost-effective waste management solutions. Surface decontamination and thermal methods are proven options for decontaminating low-level metallic waste. Surface decontamination processes include chemical, electrochemical, or mechanical methods, which are used to remove contamination from exposed layers of metal. Surface decontamination is most effective when metal has low levels of activity localized on the outer layers. When the activity is more uniformly distributed in the metal (or the geometry is complex), alternative methods such as thermal decontamination are required. In the thermal decontamination process, contaminated scrap metal is melted in a furnace and held in a molten state for a period of time while the radioactive material is separated out through gravity. Radioactive material reports to slag which is handled separately, or to the exhaust which is handled using conventional gas handling technologies. Thermal methods of decontamination involving metal melting present an opportunity to reduce long-term storage cost with a reduction in waste volume, along with the opportunity to reuse the decontaminated metal. Methods for dealing with metallic low-level waste from nuclear facilities vary extensively across the globe. The approach employed at any given site may be set by a host of factors ranging from regulatory influence, public perception, local economics, available geology for underground storage and often, precedent established long ago by early operations. This paper examines several low-level metallic waste handling options including techniques for surface decontamination and metal melting, as well as a combination of both. The various methods are categorized according to their suitability for waste characterization and local/global installations. The effectiveness of each option is benchmarked against a range of criteria, including capital and operating costs, environmental impact, overall sustainability and risk management issues. The overall objective of this paper is to develop a methodology for determining the most beneficial low-level metallic waste management strategy for a facility once the quantity, type and nature of the waste is established on a long-term basis. It is the authors' hope that the methodology can be used as a tool to test a facility's current plans (which are primarily focused on long-term storage) and identify areas for optimization with an emphasis on overall cost and environmental footprint reduction. The trend towards long term planning to handle large amounts of contaminated metal, along with obtaining a social license to implement a sustainable waste management solution, are key decision-making variables that will be discussed in relation to the LLW handling options presented in this paper. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Developing a Control Strategy for Minimum Airflow Setting Considering CO2 Level and Energy Consumption in a Variable Air Volume System

In an office building equipped with a Variable Air Volume (VAV) system, this paper introduces a novel method for controlling the minimum supply airflow fraction in each zone’s VAV box, having a capability to consider indoor CO2 level and energy consumption. The EnergyPlus simulation using the medium office prototype model was employed, which evaluated the performance of the energy and CO2 concentration for five VAV box airflow control strategies. The paper focuses on CO2 concentration-based airflow control method and compares it with other four methods including conventional single-max, reduced minimum single-max, demand-controlled ventilation(DCV), and dualmax control methods according to guidelines and common practices. The newly proposed control strategy directly correlates the minimum airflow fraction to CO2 concentration. A general trend emerged when comparing CO2 concentrations—lower minimum airflow fractions were associated with higher concentrations. The proposed control method effectively maintained low CO2 concentrations and enabled a lower airflow fraction contributing to energy consumption reduction. It was confirmed that heating energy consumption in climate zone 4A, 5B, and 6A showed a maximum saving of approximately 30% compared to the conventional single-max and dual max control strategies. It was found that cooling energy consumption in climate zone 4A and 6A can achieve a maximum saving of approximately 10% compared to the conventional control strategies. The proposed CO2 concentration-based control logic is promising as it not only improves the indoor air quality lowering the CO2 concentration in the occupied spaces, but also contributes to HVAC energy savings.

Lee, Jong Man↗

A fast particle-based approach for calibrating a 3-D model of the Antarctic ice sheet

We consider the scientifically challenging and policy-relevant task of understanding the past and projecting the future dynamics of the Antarctic ice sheet. The Antarctic ice sheet has shown a highly nonlinear threshold response to past climate forcings. Triggering such a threshold response through anthropogenic greenhouse gas emissions would drive drastic and potentially fast sea level rise with important implications for coastal flood risks. Previous studies have combined information from ice sheet models and observations to calibrate model parameters. These studies have broken important new ground but have either adopted simple ice sheet models or have limited the number of parameters to allow for the use of more complex models. These limitations are largely due to the computational challenges posed by calibration as models become more computationally intensive or when the number of parameters increases. Here, we propose a method to alleviate this problem: a fast sequential Monte Carlo method that takes advantage of the massive parallelization afforded by modern high-performance computing systems. We use simulated examples to demonstrate how our sample-based approach provides accurate approximations to the posterior distributions of the calibrated parameters. The drastic reduction in computational times enables us to provide new insights into important scientific questions, for example, the impact of Pliocene era data and prior parameter information on sea level projections. These studies would be computationally prohibitive with other computational approaches for calibration such as Markov chain Monte Carlo or emulation-based methods. We also find considerable differences in the distributions of sea level projections when we account for a larger number of uncertain parameters. For example, based on the same ice sheet model and data set, the 99th percentile of the Antarctic ice sheet contribution to sea level rise in 2300 increases from 6.5 m to 13.1 m when we increase the number of calibrated parameters from three to 11. With previous calibration methods, it would be challenging to go beyond five parameters. Here, this work provides an important next step toward improving the uncertainty quantification of complex, computationally intensive and decision-relevant models.

54 ENVIRONMENTAL SCIENCES↗

Optimizing Sensor Count and Placement to Detect Bond Wire Lift-Offs and Surface Defects in High-Power IGBT Modules Using Low-Cost Piezo-Electric Resonators

This manuscript presents the most recent results and findings to identify bond wire lift-offs and surface defects in high-power isolated gate bipolar junction transistor (IGBT) modules. The authors of this manuscript formerly proposed a low-cost, piezoelectric resonator-based measurement unit to detect bond wire related degradation in larger IGBT modules. Since high-power IGBT modules are expensive, it was apparent that evaluating our proposed method by inducing controlled damage to fresh (new) IGBTs may not be cost-effective especially when multiple sets of data need to be captured by inducing damage to different levels. In order to overcome this limitation, IGBT bond wires have been mimicked using a 3D printed enclosure, a PCB, and copper wires with dimensions very closely resembling a real IGBT. Using this method, multiple test devices can be built at the cost of a real IGBT, and the proposed technique could be fine-tuned without damaging expensive, real IGBTs. Our recent findings can be used to determine real IGBT degradation and bond wire lift-offs using only two sensors, as opposed to six transducers used in the first iteration of the setup. In addition to optimizing the sensor count, we have also identified the best possible locations of these sensors by attempting multiple placements inside the IGBT casing.

condition monitoring↗

Constraints on Galactic Neutrino Emission with Seven Years of IceCube Data

The origins of high-energy astrophysical neutrinos remain a mystery despite extensive searches for their sources. We present constraints from seven years of IceCube Neutrino Observatory muon data on the neutrino flux coming from the Galactic plane. This flux is expected from cosmic-ray interactions with the interstellar medium or near localized sources. Two methods were developed to test for a spatially extended flux from the entire plane, both of which are maximum likelihood fits but with different signal and background modeling techniques. We consider three templates for Galactic neutrino emission based primarily on gamma-ray observations and models that cover a wide range of possibilities. Based on these templates and in the benchmark case of an unbroken E{sup −2.5} power-law energy spectrum, we set 90% confidence level upper limits, constraining the possible Galactic contribution to the diffuse neutrino flux to be relatively small, less than 14% of the flux reported in Aartsen et al. above 1 TeV. A stacking method is also used to test catalogs of known high-energy Galactic gamma-ray sources.

79 ASTRONOMY AND ASTROPHYSICS↗