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At least 937 records · Page 52

Assessing Advanced Technology in CENATE

PNNL's Center for Advanced Technology Evaluation (CENATE) is a new U.S. Department of Energy center whose mission is to assess and facilitate access to emerging computing technology. CENATE is assessing a range of advanced technologies, from evolutionary to disruptive. Technologies of interest include the processor socket (homogeneous and accelerated systems), memories (dynamic, static, memory cubes), motherboards, networks (network interface cards and switches), and input/output and storage devices. CENATE is developing a multi-perspective evaluation process based on integrating advanced system instrumentation, performance measurements, and modeling and simulation. We show evaluations of two emerging network technologies: silicon photonics interconnects and the Data Vortex network. CENATE's evaluation also addresses the question of which machine is best for a given workload under certain constraints. We show a performance-power tradeoff analysis of a well-known machine learning application on two systems.

Tallent, Nathan R.↗

Trade-off Analysis of Operational Technologies to Advance Cyber Resilience through Automated and Autonomous Response to Threats

The advancement of cyber resilience requires a preliminary stage of characterizing the trade-off space of mitigation options and how these might affect the stability and determinism of an operational technology (OT). This first step will set the stage for the proper cyber-secure and cyber-resilient design and confirm the affects that can be considered and approved by the OT and the security groups. To provide a baseline for this discussion, this paper provides a consideration of the cyberphysical interactions, possible mitigation steps against certain attacks and their corresponding affects that lend to the security design planning and evaluation process. As an integral part of the proposed scheme this work introduces the concept of systemwide fuzzer, i.e., a tool that manipulates the system state in an effort to determine mitigation response sequences that minimize detriments and maximize benefit in accordance with specified operational requirements.

97 MATHEMATICS AND COMPUTING↗

Serpentine Magnet Designs for the Interaction Region of the Electron-Ion Collider (EIC)

The Electron-Ion Collider (EIC), hosted by Brookhaven National Laboratory, is designed to deliver a peak luminosity of 1 × 10 34 cm −2 sec −1 . The interaction region (IR) of the EIC imposes several constraints in terms of field quality, aperture, and spatial layout, which necessitates the development of several unique superconducting serpentine direct wind magnets. These magnets are constructed using either a single strand or a small-diameter 6-around-1 NbTi cable, presenting unique challenges for design and optimization. This paper introduces a new computational code specifically developed to streamline and integrate the design process for these magnets, enabling faster design iterations while addressing their complex requirements. Here, in this paper, we first introduce the code, which builds on established electromagnetic fundamentals. The code incorporates tools for optimizing winding patterns and for correcting magnetic multipoles; additionally, it interfaces with established magnet design software. We also present the design of several serpentine magnets for the EIC IR, demonstrating the code’s capability to deliver precise and efficient solutions. These designs highlight the code’s ability to accelerate the development cycle, ensuring the serpentine magnets meet the demanding specifications of the EIC project.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Sci-Thur PM – Colourful Interactions: Highlights 01: Design to delivery of spatially fractionated mini-beam canine radiotherapy

Spatial fractionation of radiation using arrays of narrow parallel micro-planar beams (less than 1 mm), is a relatively new concept with many unknowns specifically within the underlying biology of cell death. A tungsten collimator has been designed to produce mini-beams with a Varian linear accelerator for translational animal research into the effectiveness of spatial fractionation mini-beam radiotherapy (MBRT). This work presents the treatment planning process and workflow for the application of MBRT treatments within a clinical study. For patient dose calculations, the MBRT collimator was incorporated into a Monte Carlo based treatment planning system called MMCTP. Treatment planning was split between Eclipse and MMCTP, as the field apertures were determined within Eclipse prior to being sent to MMCTP for dose calculations. The calculated plan was transferred back into Aria with updated MUs per field for patient treatment. Patients were positioned within a vac-lock bag lying prone with a bite block and a thermoplastic mask to immobilize the head. Prior to treatment, a delivery verification plan was created within MMCTP. DQA output measurements of the treatment fields agreed with the calculated dose to within 1.5%. We have presented a workflow for MBRT treatments that include the planning technique, dose calculation method, DQA process and data integration into a record and verify system. The clinical study following this workflow represent the first series of linac based MBRT patients and depending on the clinical outcome of the study, our technique could be applied to human MBRT treatments.

60 APPLIED LIFE SCIENCES↗

Van der Waals engineering of ferromagnetic semiconductor heterostructures for spin and valleytronics

The integration of magnetic material with semiconductors has been fertile ground for fundamental science as well as of great practical interest toward the seamless integration of information processing and storage. We create van der Waals heterostructures formed by an ultrathin ferromagnetic semiconductor CrI 3 and a monolayer of WSe 2 . We observe unprecedented control of the spin and valley pseudospin in WSe 2 , where we detect a large magnetic exchange field of nearly 13 T and rapid switching of the WSe 2 valley splitting and polarization via flipping of the CrI 3 magnetization. The WSe2 photoluminescence intensity strongly depends on the relative alignment between photoexcited spins in WSe 2 and the CrI 3 magnetization, because of ultrafast spin-dependent charge hopping across the heterostructure interface. The photoluminescence detection of valley pseudospin provides a simple and sensitive method to probe the intriguing domain dynamics in the ultrathin magnet, as well as the rich spin interactions within the heterostructure.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Route Sanitizer: Connected Vehicle Trajectory De-Identification Tool

Route Sanitizer is ORNL's connected vehicle moving object database de-identification tool and a graphical user interface to ORNL's connected vehicle de-identification algorithm. It uses the Google Chrome (soon to be Electron) platform so it will run on different computing platforms. The basic de-identification strategy is record redaction: portions of a vehicle trajectory (e.g. sequences of precise temporal spatial records) are removed. It does not alter retained records. The algorithm uses custom techniques to find areas within trajectories that may be considered private, then it suppresses those in addition to enough of the trajectory surrounding those locations to protect against "inference attacks" in a mathematically sound way. Map data is integrated into the process to make this possible.

Carter, JasonM↗

hfem3d_parfrac

A toolkit of FORTRAN90 and PYTHON routines to automate calculation of electrostatic response of fracture networks in geomaterials, specifically designed for distributed memory compute clusters. Software integrates pre-processing of Cubit-generated meshes with calculations from HFEM3D and post-processing for aggregate data analysis.SAND2019-11083 M Sandia National Laboratories is a multimission laboratory managed and operated by National Technology & Engineering Solutions of Sandia, LLC, a wholly owned subsidiary of Honeywell International Inc., for the U.S. Department of Energy’s National Nuclear Security Administration under contract DE-NA0003525.

Beskardes, Gungor↗

Reaction Rover

Reaction Rover is a software application designed to enable reaction optimization with little or no human intervention and to provide a flexible platform to facilitate rapid testing, automation, and implementation of new reaction optimization algorithms. Toward these goals, Reaction Rover is designed to be modular, allowing the optimization algorithm, analyzer, and reactor components to be changed for any given process using easily integrated plugins. The Reaction Rover platform is a key development that enables the testing, use, and automation of machine learning (ML) and non-ML optimizers in a variety of laboratory situations.

Windus, Theresa↗

Group-velocity-dispersion engineering of tantala integrated photonics

Designing integrated photonics, especially to leverage Kerr-nonlinear optics, requires accurate and precise knowledge of the refractive index across the visible to infrared spectral ranges. Tantala ( T a 2 O 5 ) is an emerging material platform for integrated photonics and nanophotonics that offers broadband ultralow loss, moderately high nonlinearity, and advantages for scalable and heterogeneous integration. We present refractive index measurements on a thin film of tantala, and we explore the efficacy of this data for group-velocity-dispersion (GVD) engineering with waveguide and ring-resonator devices. In particular, the observed spectral extent of supercontinuum generation in fabricated waveguides and the wavelength dependence of free spectral range (FSR) in optical resonators provide a sensitive test of our integrated photonics design process. Our work opens up new design possibilities with tantala, including with octave-spanning soliton microcombs.

Black, Jennifer A.↗

International Nuclear Safeguards at Sandia

As global nuclear energy expands, assuring peaceful uses of nuclear technology becomes increasingly important. In addition to complying with international nuclear safeguards, a responsible nuclear energy program promotes a corresponding safeguards culture. Establishment of transparent peaceful uses of nuclear technologies starts with cooperative international engagements and safeguards systems. Developing states investing in nuclear energy must assure the international community of their longterm commitment to safeguards, safety, and security (3S) of nuclear materials and technologies. Cultivating a safeguards culture starts in the initial phases of infrastructure planning and must be integrated into the process of developing a responsible nuclear energy program. Sandia National Laboratories supports the implementation of safeguards culture through a variety of activities, including infrastructure development.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Thermochemical Conversion of Woody Biomass to Fuels and Chemicals Final Report

Maine and its industries identified more efficient utilization of biomass as a critical economic development issue. In Phase I of this implementation project, a research team was assembled, research equipment was implemented and expertise was demonstrated in pyrolysis, hydrodeoxygenation of pyrolysis oils, catalyst synthesis and characterization, and reaction engineering. Phase II built upon the infrastructure to innovate reaction pathways and process engineering, and integrate new approaches for fuels and chemical production within pulp and paper and other industries within the state. This research cluster brought together chemists, engineers, physicists and students from the University of Maine, Bates College, and Bowdoin College. The project developed collaborations with Oak Ridge National Laboratory and Brookhaven National Laboratory. The specific research projects within this proposal were of critical interest to the DoE - in particular the biomass program within EERE and the catalysis/chemical transformations program within BES. Scientific and Technical Merit highlights of this project included: (1) synthesis and physical characterization of novel size-selective catalyst/supports using engineered mesoporous (1-10 nm diameter pores) materials, (2) advances in fundamental knowledge of novel support/ metal catalyst systems tailored for pyrolysis oil upgrading, (3) a microcalorimetric sensing technique, (4) improved methods for pyrolysis oil characterization, (5) production and characterization of woody biomass-derived pyrolysis oils, (6) development of two new patented bio oil pathways: thermal deoxygenation (TDO) and formate assisted pyrolysis (FASP), and (7) technoeconomics of pyrolysis of Maine forest biomass. This research cluster has provided fundamental knowledge to enable and assess pathways to thermally convert biomass to hydrocarbon fuels and chemicals.

09 BIOMASS FUELS↗

Comparative Study of Barotrauma Risk during Fish Passage through Kaplan Turbines

Rapid pressure changes in hydroelectric turbine flows can cause barotrauma that can be hazardous to the passage of fish, in particular migratory juvenile salmonids. Although numerous laboratory tests have evaluated the effect of rapid decompression in fish species of relevance, numerical modeling studies offer the advantage of predicting, for new turbine designs, the potential risks of mortality and injury from rapid pressure change during turbine passage. However, rapid pressure change is only one of several hydraulic risks encountered by fish during turbine passage in addition to blade strike, shear, and turbulence. To better understand the role of rapid pressure changes, the present work focuses on the application of a computational fluid dynamics based method for evaluating the risk of pressure-related mortality to fish passing through an early 1960s era original hydroelectric Kaplan turbine at Wanapum Dam (Columbia River, Washington), and a modern advanced Kaplan turbine installed in 2005. The results show that the modeling approach acceptably reproduced the nadir pressure distributions compared to field data previously collected at the site using an autonomous sensor. Our findings show that the new advanced-design unit performs better, in terms of reduced barotrauma risk to fish from exposure to low pressures, than the original turbine unit. The outcomes allow for comparative analyses of turbine designs and operations prior to installation, an advantage that can potentially be integrated in the process of designing new turbine units to achieve superior environmental performance. Overall, the results show that modern turbine designs can achieve the multiple objectives of increasing power generation, lowering cavitation potential, and reducing barotrauma risks to passing fish.

13 HYDRO ENERGY↗

SciDAC – PSI: Plasma Surface Interactions involving Tungsten - A Summary of Project Accomplishments

Gaining physics understanding and predictive capabilities to describe the evolution of plasma facing components (PFC) requires simultaneously addressing complex and diverse physics occurring over a wide range of length and time scales, as well as integrating extensive physical processes across the plasma - surface - bulk materials boundaries. This requires development not only of detailed physics models and computational strategies at each of these scales, but computer science algorithms and methods to strongly couple them in a way that can be robustly validated through comparisons against available data and new experiments. Therefore, the objective of this project is to develop robust, high-fidelity simulation tools capable of predicting the PFC operating lifetime and the PFC impact on plasma contamination, recycling of hydrogenic species, and tritium retention in future magnetic fusion devices, with a focus on tungsten based material systems. Deploying these tools requires the development of a leadershipscale computational code, as well as a host of simulations that span the multiple scales needed to address complex physical and computational issues at the plasma - surface interface and the transition below the surface where neutron damage processes in the bulk material dominate behavior in multiple-component materials systems. Successful development will enable improved prediction of PFC performance needed to ensure magnetic fusion energy development beyond ITER.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Implementation and Verification of Isolated Defects for GTS Lifecycle Analyses

Often, the presence of cracks in manufactured components are detrimental to their overall performance. We develop a workflow and tools in this report using CUBIT and Sierra/SM for generating and modeling crack defects to better understand their impact on such components. To this end, we provide a CUBIT library of various prototypical crack defects embedded in pipes and plates that can be readily used in a wide range of simulations, with specific application to those used in Gas Transfer Systems (GTS). We verify the accuracy of the J-integral post-processing capability in Sierra against solutions available in existing literature for the cracks and geometries of interest within the context of linear elastic fracture mechanics, and describe ongoing efforts to quantify and assess numerical errors. Through this process, we outline overall suggestions and recommendations to the user based on the proposed workflow.

97 MATHEMATICS AND COMPUTING↗

Communication of industry knowledge, best practices, and lessons learned in the space of cellulosic biofuels plant design, project development and execution and operations. Task 1 report

ExxonMobil Research and Engineering Company, via a technical services agreement, engages Idaho National Laboratory (INL) to provide general industry knowledge, best practices, and lessons learned in cellulosic ethanol plant design, project execution, and operations. INL will also assess publicly proposed cellulosic plant designs. The scope of work will be accomplished in three tasks: Task 1, Communicate industry knowledge; Task 2, Present high-level lessons learned; Task 3, Provide an engineering assessment of publicly proposed ethanol plant designs. This Task 1 report provides a high-level summary of general industry knowledge, best practice, and lessons learned in biomass feedstock logistics and integration with bioconversion processes.

09 BIOMASS FUELS↗

Decarburization and Carburization Behavior of Grade 91 Steel in Sodium Environments

Two heats of G91 steel have been investigated in sodium at 550-650°C to understand its corrosion behaviour, microstructural evolution, and tensile properties. Sodium exposure tests of subsized tensile and coupon specimens of G91 base metal and weldment were conducted in Argonne’s forced convection sodium materials testing loops. Maximum exposure times of ~39,000 h at 550°C, ~37,000 h at 600°C, and ~20,000 h at 650°C have been achieved, respectively. Thermal aging experiments of G91 steel were conducted in parallel, and the data of the sodium-exposed specimens were compared with the thermal aging data of the same heat to isolate the thermal aging effect from the effect of sodium exposure. It was found that the tensile strength of G91 steel can be reduced by more than 50% after sodium exposures at 650°C. The effect of a sodium environment on tensile properties is largely dependent on the carburization/decarburization behavior of G91 steel exposed to sodium. The carbon concentrations in sodium in Argonne’s SMT-1 and SMT-2 loops were determined by the equilibration method. The carbon activity in sodium was established by equilibrating high-purity nickel in sodium, analyzing the material for carbon, and using the reported data on the carbon solubility for this material. The carbon activity results were combined with the carbon solubility data in sodium to establish the carbon concentration in sodium. The carbon concentrations in the SMT-1 and SMT-2 loop were estimated to be 1.23 and 0.25 ppm, respectively. With this initial success, we will continue to monitor the carbon contents in the two loops to correlate the microstructural and mechanical property changes with the sodium purity. Future experiments will also consider sodium exposure tests in controlled carbon activities. Online monitoring and control of carbon contents in sodium in nuclear reactors would also be of interest. Thermodynamic analysis was conducted to understand the carburization-decarburization behavior of G91 steel exposed to sodium in the SMT-1 and SMT-2 loops. The equilibrium carbon activity in the alloy was evaluated by the thermodynamics of M 23 C 6 carbides. The calculated carburization-decarburization boundary showed that G91 would undergo decarburization at 650°C in the SMT-1 loop and carburization at 600°C in the SMT-2 loop, which is consistent with our findings from the sodium exposure tests. Future work will include thermodynamic analysis of the carbon concentration – activity relationship including the effect of carbide-forming elements, vanadium and niobium in G91 steel. Kinetics of carbon diffusion and the effect on microstructure and mechanical performance under various service conditions will also be investigated. The ultimate goal is to understand the mechanisms and the kinetics of carbon transfer in the sodium-steel system and to provide a basis for predicting the effect of long-term decarburization-carburization process on the integrity of reactor components.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Uncertainty Quantification of Environmentally Assisted Stress Corrosion Cracking in Used Fuel Canisters (Status Report)

This study was initiated to quantify and characterize the uncertainty associated with the degradation mechanisms impacting normal dry storage operations for used nuclear fuel (UNF) and normal conditions of transport in support of the Spent Fuel and Waste Science & Technology Campaign (SFWST) and its effectiveness to rank the data needs and parameters of interest. This report describes the technical basis and guidance resulting from the development of software to perform uncertainty quantification (UQ) by developing and describing a holistic model that integrates the various processes controlling Atmospheric Stress Corrosion Cracking (ASCC) in the specific context of Interim Spent Fuel Storage Installations (ISFSIs). These processes include the daily and annual cycles of temperature and humidity associated with the environment, the deposition of chloride-containing aerosol particles, pit formation, pit-to-crack transition, and crack propagation.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Informative Background on the Interoperability Requirements in IEEE Std 1547-2018

The intent of this document is to support local authorities governing interconnection requirements in adopting the most current requirements for interconnecting distributed energy resources (DERs) to the electric distribution system, as specified in the Institute of Electrical and Electronics Engineers Standard for Interconnection and Interoperability of Distributed Energy Resources with Associated Electric Power Systems Interfaces (IEEE Std 1547-2018 ). To create interconnection rules that successfully address policy goals, market trends, and technical requirements, electric service regulators need to be well informed of DER integration considerations. Interconnection processes and technical issues often overlap; the two are not easily segregated, and they are often considered and evaluated concurrently within the context of interconnection rulemaking. Accordingly, this document addresses both the technical issues and related process considerations.

24 POWER TRANSMISSION AND DISTRIBUTION↗