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At least 1,099 records · Page 61

Silicon Damage Response Function Derivation and Verification: Assessment of Impact on ASTM Standard E722

Unsuccessful attempts by members of the radiation effects community to independently derive the Norgett-Robinson-Torrens (NRT) damage energy factors for silicon in ASTM standard E722-14 led to an investigation of the software coding and data that produced those damage energy factors. The ad hoc collaboration to discover the reason for lack of agreement revealed a coding error and resulted in a report documenting the methodology to produce the response function for the standard. The recommended changes in the NRT damage energy factors for silicon are shown to have significant impact for a narrow energy region of the 1-MeV(Si) equivalent fluence response function. However, when evaluating integral metrics over all neutrons energies in various spectra important to the SNL electronics testing community, the change in the response results in a small decrease in the total 1- MeV(Si) equivalent fluence of ~0.6% compared to the E722-14 response. Response functions based on the newly recommended NRT damage energy factors have been produced and are available for users of both the NuGET and MCNP codes.

36 MATERIALS SCIENCE↗

High-throughput feedback-enabled optogenetic stimulation and spectroscopy in microwell plates

Abstract The ability to perform sophisticated, high-throughput optogenetic experiments has been greatly enhanced by recent open-source illumination devices that allow independent programming of light patterns in single wells of microwell plates. However, there is currently a lack of instrumentation to monitor such experiments in real time, necessitating repeated transfers of the samples to stand-alone analytical instruments, thus limiting the types of experiments that could be performed. Here we address this gap with the development of the optoPlateReader (oPR), an open-source, solid-state, compact device that allows automated optogenetic stimulation and spectroscopy in each well of a 96-well plate. The oPR integrates an optoPlate illumination module with a module called the optoReader, an array of 96 photodiodes and LEDs that allows 96 parallel light measurements. The oPR was optimized for stimulation with blue light and for measurements of optical density and fluorescence. After calibration of all device components, we used the oPR to measure growth and to induce and measure fluorescent protein expression in E. coli . We further demonstrated how the optical read/write capabilities of the oPR permit computer-in-the-loop feedback control, where the current state of the sample can be used to adjust the optical stimulation parameters of the sample according to pre-defined feedback algorithms. The oPR will thus help realize an untapped potential for optogenetic experiments by enabling automated reading, writing, and feedback in microwell plates through open-source hardware that is accessible, customizable, and inexpensive.

59 BASIC BIOLOGICAL SCIENCES↗

microMS: A Python Platform for Image-Guided Mass Spectrometry Profiling

Image-guided mass spectrometry (MS) profiling provides a facile framework for analyzing samples ranging from single cells to tissue sections. The fundamental workflow utilizes a whole-slide microscopy image to select targets of interest, determine their spatial locations, and subsequently perform MS analysis at those locations. Improving upon prior reported methodology, a software package was developed for working with microscopy images. microMS, for microscopy-guided mass spectrometry, allows the user to select and profile diverse samples using a variety of target patterns and mass analyzers. Written in Python, the program provides an intuitive graphical user interface to simplify image-guided MS for novice users. The class hierarchy of instrument interactions permits integration of new MS systems while retaining the feature-rich image analysis framework. microMS is a versatile platform for performing targeted profiling experiments using a series of mass spectrometers. The flexibility in mass analyzers greatly simplifies serial analyses of the same targets by different instruments. The current capabilities of microMS are presented, and its application for off-line analysis of single cells on three distinct instruments is demonstrated. The software has been made freely available for research purposes. .

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Modeling Enhancements, Cross-Section Generation Updates, and Benchmarking with Shift

This technical report documents the modeling enhancements, cross-section generation updates, and bench marking with the Shift Monte Carlo code performed under the US Department of Energy Nuclear Energy Advanced Modeling and Simulation Program in FY 2024. The work performed included several modeling enhancements, such as integration of cross-section generation in Titan and the ability to produce microscopic multigroup cross sections with Shift. Benchmarking of the cross sections produced by Shift and the two-step workflow with Griffin was performed for three problems: the Advanced Breeder Test Reactor, a generic pebble bed reactor, and a TRISO heat pipe microreactor. Comparisons of results from these benchmark problems were done with Serpent, OpenMC, and Griffin. These enhancements provide a robust foundation for applying Shift for both reference and two-step neutronics analysis for advanced reactor simulation.

97 MATHEMATICS AND COMPUTING↗

Optimization with Neural Network Feasibility Surrogates: Formulations and Application to Security-Constrained Optimal Power Flow

In many areas of constrained optimization, representing all possible constraints that give rise to an accurate feasible region can be difficult and computationally prohibitive for online use. Satisfying feasibility constraints becomes more challenging in high-dimensional, non-convex regimes which are common in engineering applications. A prominent example that is explored in the manuscript is the security-constrained optimal power flow (SCOPF) problem, which minimizes power generation costs, while enforcing system feasibility under contingency failures in the transmission network. In its full form, this problem has been modeled as a nonlinear two-stage stochastic programming problem. In this work, we propose a hybrid structure that incorporates and takes advantage of both a high-fidelity physical model and fast machine learning surrogates. Neural network (NN) models have been shown to classify highly non-linear functions and can be trained offline but require large training sets. In this work, we present how model-guided sampling can efficiently create datasets that are highly informative to a NN classifier for non-convex functions. We show how the resultant NN surrogates can be integrated into a non-linear program as smooth, continuous functions to simultaneously optimize the objective function and enforce feasibility using existing non-linear solvers. Overall, this allows us to optimize instances of the SCOPF problem with an order of magnitude CPU improvement over existing methods.

24 POWER TRANSMISSION AND DISTRIBUTION↗

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

active distribution network↗

Modeling the Strategic Behavior of an Active Distribution Network in the ISO Markets

With increasing integration of distributed energy resources (DERs), active distribution networks (ADNs) can actively participate in the electricity markets by dispatching their DERs, which can change the existing electricity market paradigm. It is essential to investigate the strategic behaviors of ADNs and their DER dispatch when they participate in the wholesale market as price-makers. This paper proposes a bi-level optimization model to study the strategic behavior of an ADN in both energy and reserve markets. The optimal scheduling of DERs in the ADN is modeled as the upper level problem and the joint energy and reserve market-clearing of the ISO is modeled as the lower-level problem. The two-level optimization models exchange bidding information and energy/reserve prices with each other. The proposed bi-Ievel optimization problem is converted to a mathematical programming with equilibrium constraints (MPEC) by using Karush-Kuhn Tucker (KKT) conditions and strong duality theory. Further, the MPEC problem is reformulated as a computationally-solvable mixed integer second order cone programming (MISOCP) model. The simulation results on an illustrative case demonstrate the impact of the strategic bidding of the ADN on the day-ahead energy and reserve market prices.

Xue, Yaosuo↗

AGR-2 safety test predictions using the PARFUME code

This report documents calculations performed to predict failure probability of TRISO-coated fuel particles and diffusion of fission products through these particles during safety tests following the second irradiation test of the Advanced Gas Reactor program (AGR-2). The calculations include the modeling of the AGR-2 irradiation that occurred from June 2010 to October 2013 in the Advanced Test Reactor (ATR) and the modeling of a safety testing phase to support safety tests planned at Oak Ridge National Laboratory and at Idaho National Laboratory (INL) for a selection of AGR-2 compacts. The heat-up of AGR-2 compacts is a critical component of the AGR-2 fuel performance evaluation, and its objectives are to identify the effect of accident test temperature, burnup, and irradiation temperature on the performance of the fuel at elevated temperature. Safety testing of compacts will be followed by detailed examinations of the fuel particles to further evaluate fission product retention and behavior of the kernel and coatings. The modeling was performed using the particle fuel model computer code PARFUME developed at INL. PARFUME is an advanced gas-cooled reactor fuel performance modeling and analysis code (Miller 2009). It has been developed as an integrated mechanistic code that evaluates the thermal, mechanical, and physico-chemical behavior of fuel particles during irradiation to determine the failure probability of a population of fuel particles given the particle-to-particle statistical variations in physical dimensions and material properties that arise from the fuel fabrication process, accounting for all viable mechanisms that can lead to particle failure. The code also determines the diffusion of fission products from the fuel through the particle coating layers, and through the fuel matrix to the coolant boundary. The subsequent release of fission products is calculated at the compact level (release of fission products from the compact). PARFUME calculates the release fraction as the ratio of the number of atoms released from the compact to the amount produced in the compact fuel kernels and through uranium contamination. These safety test predictions aim at giving guidance for the upcoming safety tests to be conducted at ORNL and INL. The AGR-2 compacts modeled in this study belong to the four U.S. capsules of the AGR-2 irradiation test train. For each capsule, the compacts with the lowest and highest burnups were selected to provide a prediction envelope. The objective of this document is to present results of calculations and analyses made by PARFUME on these selected AGR-2 compacts. These results include: • Fuel failure probability • Palladium penetration • Fractional release of fission products Details associated with completion of these calculations are provided in the remainder of this document: the AGR-2 Safety Testing plan is briefly introduced in Section 2, PARFUME modeling is outlined in Section 3, results are described in Section 4, conclusions are given in Section 5, and references are listed in Section 6.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

High-Fidelity Measurements for Flattop-HEU Benchmark Reevaluation

Flattop was first built in the 1950’s at Los Alamos National Laboratory. Flattop-HEU is composed of a sphere of highly enriched uranium (HEU) surrounded by a thick spherical natural uranium (NU) reflector. The reflector is composed of three parts: a stationary hemisphere and two movable quarter spheres. For fine control of the reactivity of the system, there are three control rods of natural uranium located in voids in the stationary hemisphere. The final components that make Flattop a useful critical assembly are the glory hole and mass adjustment pieces. These pieces can be loaded in various configurations into the glory hole and the core pedestal to control the known worth of the system. The glory hole and mass adjustment pieces are mostly small pieces of HEU with some mass adjustment pieces fabricated from NU. This allows for the irradiation of samples to a specified level. To better document the system, Flattop was evaluated and included in the International Criticality Safety Benchmark Evaluation Project (ICSBEP) handbook. The original benchmark evaluation of Flattop-HEU was written in 1999 based on an experiment completed in the 1960’s. This original evaluation was written to provide a single diameter that defined critical mass; however, as computational capabilities have increased, the focus for benchmark evaluations has shifted to include detailed modelswith all physical dimensions. Thus, as Flattop is a lynchpin in critical experiment work, the benchmark is being reevaluated at current standards. This summary discusses some of the largest known uncertainties from the evaluation and the high-fidelity measurements taken to reduce these uncertainties.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Development and Validation of Passive Yaw in the Open-Source WEC-Sim Code: Preprint

A passive yaw implementation is developed, validated, and explored for the Wave Energy Converter Simulator (WEC-Sim), an open-source wave energy converter modeling tool that works within MATLAB/Simulink. The Reference Model 5 (RM5) is selected for this investigation, and a WEC-Sim model of the device is modified to allow yaw motion. A boundary element method (BEM) code was used to calculate the excitation force coefficients for a range of wave headings. An algorithm was implemented in WEC-Sim to determine the equivalent wave heading from a body’s instantaneous yaw angle and interpolate the appropriate excitation coefficients to ensure the correct time-domain excitation force. This approach is able to determine excitation force for a body undergoing large yaw displacement. For the mathematically simple case of regular wave excitation, the dynamic equation was integrated numerically and found to closely approximate the results from this implementation in WEC-Sim. A case study is presented for the same device in irregular waves. In this case, computation time is increased by 32x when this interpolation is performed at every time step. To reduce this expense, a threshold yaw displacement can be set to reduce the number of interpolations performed. A threshold of 0.01 was found to increase computation time by only 22x without significantly affecting time domain results. Similar amplitude spectra for yaw force and displacements are observed for all threshold values less than or equal to 1, for which computation time is only increased by 2.2x.

50 EE - Wind and Water Power Program - Water (EE-4↗

Machine Learning Enabled Sensor Fusion for In-Situ Defect Detection in Laser Powder Bed Fusion

Laser Powder Bed Fusion (L-PBF) Additive Manufacturing (AM) is among the metal 3D printing technologies most broadly adopted by the manufacturing industry. The current industry qualification paradigm for critical-application L-PBF parts relies heavily on expensive non-destructive inspection techniques such as X-Ray Computed Tomography (XCT), which significantly limits the use-cases of L-PBF. In situ monitoring of the process promises a less expensive alternative to ex situ testing, but existing sensor technologies and data analysis techniques struggle to detect sub-surface flaws (e.g., porosity and cracking) on production-scale L-PBF printers. RTX Technologies Research Center (RTRC) has licensed ORNL’s Peregrine software package – a printer- and camera-agnostic data analytics tool designed specifically for detecting process anomalies using in situ data collected during powder bed printing. The goal of this project was to feed temporally rich, multi-modal sensor data, including visible light, integrated near infrared (NIR), and spatially mapped co-axial melt pool thermal emission data into Peregrine to enable detection of subsurface flaws. XCT data was used as ground truth training data to allow Peregrine’s deep learning algorithms to recognize anomalies in these complex data streams in both test artifacts and industrially relevant geometries. Completion of this program has seen the successful implementation of multi-modal, multi-layer sensor data footprints for training of machine learning models in Peregrine. Flaws detected in XCT data have been successfully detected directly from this in situ data footprint, and initial analyses of the in situ probability-of-detection has been conducted, showing performance levels commensurate with traditional non-destructive evaluation (NDE) methods. The in situ monitoring methodology was then applied to an industrially relevant component that was using post-build NDE, highlighting the utility of the proposed method for hard-to-inspect AM components. As a direct result of this program, two journal manuscripts [1], [2] have been published in Additive Manufacturing, with additional manuscripts planned following program completion.

36 MATERIALS SCIENCE↗

Integrating Asynchronous Task Parallelism with OpenSHMEM, In: OpenSHMEM 2016: OpenSHMEM and Related Technologies. Enhancing OpenSHMEM for Hybrid Environments

Partitioned Global Address Space (PGAS) programming models combine shared and distributed memory features, and provide a foundation for high-productivity parallel programming using lightweight one-sided communications. The OpenSHMEM programming interface has recently begun gaining popularity as a lightweight library-based approach for developing PGAS applications, in part through its use of a symmetric heap to realize more efficient implementations of global pointers than in other PGAS systems. However, current approaches to hybrid inter-node and intra-node parallel programming in OpenSHMEM rely on the use of multithreaded programming models (e.g., pthreads, OpenMP) that harness intra-node parallelism but are opaque to the OpenSHMEM runtime. This OpenSHMEM+X approach can encounter performance challenges such as bottlenecks on shared resources, long pause times due to load imbalances, and poor data locality. Furthermore, OpenSHMEM+X requires the expertise of hero-level programmers, compared to the use of just OpenSHMEM. All of these are hard challenges to mitigate with incremental changes. This situation will worsen as computing nodes increase their use of accelerators and heterogeneous memories.

Computer Science↗

GNET2: an R package for constructing gene regulatory networks from transcriptomic data

Abstract Motivation The Gene Network Estimation Tool (GNET) is designed to build gene regulatory networks (GRNs) from transcriptomic gene expression data with a probabilistic graphical model. The data preprocessing, model construction and visualization modules of the original GNET software were developed on different programming platforms, which were inconvenient for users to deploy and use. Results Here, we present GNET2, an improved implementation of GNET as an integrated R package. GNET2 provides more flexibility for parameter initialization and regulatory module construction based on the core iterative modeling process of the original algorithm. The data exchange interface of GNET2 is handled within an R session automatically. Given the growing demand for regulatory network reconstruction from transcriptomic data, GNET2 offers a convenient option for GRN inference on large datasets. Availability and implementation The source code of GNET2 is available at https://github.com/jianlin-cheng/GNET2. Supplementary information Supplementary data are available at Bioinformatics online.

59 BASIC BIOLOGICAL SCIENCES↗

Strategic Analysis of Complex Security Scenarios

Many advanced technical tools are available to prevent attacks on national infrastructure. Nevertheless, while traditional analyses of security problems have succeeded in producing good technical solutions, they have often ignored the human factor integral to these problems. Human attackers (who may be individuals or state-level attackers) expend substantial effort to breach security because they have the incentive for doing so. People involved in implementing security follow individual incentives, which need not align with global security concerns; consequently, desired security solutions are often implemented poorly, or not at all. This complex interplay between individual incentives and global (organizational and/or national) goals can be modeled and analyzed using game theoretic techniques. By analyzing not only what is possible, but also what is motivated, a holistic approach to security problems can be developed, informing policy and providing tools to policy makers. We study game theoretic models that unify several current incentive-based approaches to security, and develop simulation-based and mathematical optimization methods for analyzing such models that exploit the high-performance computing capabilities at Sandia. Our first model studies security in interdependent settings, offering a scalable local search heuristic to approximate optimal security decisions in general, and a linear programming approach, coupled with simulations of consequences, to optimally compute security in an important special case. Our second class of models addresses security patrolling problems when an adversary gets to observe the patrol location. We present a general framework, based on stochastic games, for computing optimal security policies in such settings, and present more scalable tools that apply in the important special cases. Our third contribution is a model of security that involves many defenders, but only models non-adaptive attackers (or natural disasters, inadvertent errors, etc). In this model, we demonstrate that the security decisions of many players result in global security configuration that is not very far from optimal, and is much more resilient to environment changes that an optimal solution. This positive effect dissipates, however, when the number of decision makers becomes too large.

Vorobeychik, Yevgeniy↗

Report on ISR-1 High-Altitude Balloon Flight

To test small technologies at lower cost for space science applications, LANL has developed a small high altitude balloon payload that could, in the future, be regularly and inexpensively launched from LANL. A neutron detector, NEMO, was integrated to evaluate its performance in a space-like mixed-radiation environment and collect neutron data in the atmosphere. In collaboration with EES-14, a high-altitude balloon payload was launched from LANL Technical Area 51 on February 27, 2023 and April 17, 2023. For real-time geolocation, a SAM-M8Q M8 GNSS module was used to get position and time, and an Iridium RockBLOCK 9603 was used to communicate with the ground using the Iridium satellite fleet. These modules were all controlled using an Iteaduino Mega microcontroller board. Finally, a High Altitude Science Eagle Flight Computer with a temperature pressure sensor ran independently, writing data to an SD card. All of these modules were powered by a 5 mAh lithium polymer battery. The battery was attached to the bottom of the payload while the remaining electronics were embedded in the underside of the top of the payload. These modules were wired as seen in Figure 1-2. The Iteaduino Mega microcontroller board was programmed to use the RockBLOCK to send a message once every 10 minutes containing neutron and GPS data read off the NEMO and SAM M8Q, respectively. Once the message send attempt finished, the RockBLOCK would be slept for the rest of the 10 minute interval. The Eagle Flight Computer ran continuously throughout the flight, taking data every 6 seconds. The RockBLOCK message data was set up to be delivered from the Iridium satellite fleet to a website, where it was stored and parsed to create live maps and plots for analysis and balloon retrieval. The RockBLOCK message data was additionally configured to be sent to an email as a fail-safe. The payload was ground-tested successfully for over 50 hours, with multiple revisions occurring to best prepare for conditions at altitude and improve the software and firmware to fix any issues that cropped up with the data pipeline. Additional to the balloon payload, the flight had an attached iMet-4 radiosonde and Garmin T5 GPS Dog Collar. The radiosonde provided GPS and meteorological data. The T5 dog collar is used along with a Garmin Astro 430 to track the balloon at a range of up to 9 miles for retrieval. The balloon itself was initially a 1600 g meteorological balloon with an attached High Altitude Science parachute, both of which can be seen in Figure 1-3. After the first flight, the EES team swapped to a Rocketman parachute.

42 ENGINEERING↗

Artificial Intelligence Application to D and D - 20492

As aging facilities across the DOE complex await decommissioning, there is an ongoing need to understand any changes in the structural conditions. Many of these facilities were built over 50 years ago and, in some cases, these facilities have gone beyond the expected operational lifetime. Many facilities have been placed in a state of 'cold and dark,' sitting unused and awaiting decommissioning. Especially challenging are the aging facilities that provide unique operational/production capabilities to support critical DOE missions and cannot be shut down. In any of these scenarios, the structural integrity of these facilities may become compromised as time passes. It is critical that adequate inspections be performed on a continual basis and that the data collected undergoes sufficient analysis to support timely identification of any new or worsening structural issues as well as prompt needed maintenance and repairs to maintain the facilities in a safe condition. In recent days, Artificial Intelligence (AI) [1] and its application to various domains are growing at fast speed. FIU is performing research in this area and exploring the associated technologies to solve nuclear decommissioning problems. Artificial intelligence refers to the capability of a program to autonomously act, react and adapt to the working environment. AI enables the machine to behave like humans and perform the cognitive functions such as 'learning' and 'problem solving'. AI systems gradually moving from traditional approaches (algorithms and expert systems) towards more efficient and advanced technologies (machine learning [1] and deep learning [2] [3]). AI is the study of algorithms and statistical models that is being used by computers to perform specific tasks without using explicit instructions. FIU is working to develop a pilot-scale infrastructure to implement structural health monitoring using AI technologies with focus on machine learning, deep learning. This research is focused on Computer Vision/Image Classification area of AI applications. This can also be expanded to other areas of AI related to Object Recognition and Character Recognition in images. In addition to utilizing existing data sets, FIU will collect and investigate image and video data using FIU test-bed mockups to monitor structural health of the facility. Resulting data will be processed and analyzed using machine learning/deep learning technologies. The proposed pilot system is intended to serve as a starting point to engage the DOE field sites on related data sets and their decision making needs. It is anticipated that proposed machine learning/deep learning technologies can be effectively employed using anomaly detection to solve EM challenges in surveillance and maintenance of the D and D facilities. FIU will work with research stakeholders to identify applications at various sites and other DOE facilities. (authors)

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗