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At least 721 records · Page 40

Performance Assessment for the E-Area Low-Level Radioactive Waste Disposal Facility at the Savannah River Site: Appendix F

As a supplement to Chapter 6, Section 6.1.1.3, Table F-1 through Table F-24 provide tabular results of the sensitivity analysis calculations for waste disposal timing (Sensitivity Case S6) in NR07E (Cases 3 and 4) and NR26E (Cases 1 through 4). The title of each table identifies the DU, sensitivity case, and performance measure. Section F.1.1 (Table F-1 through Table F-8) presents results for NR07E and Section F.1.2 (Table F-9 through Table F-24) presents results for NR26E. In each table, radionuclides are sorted from highest to lowest nominal concentration or dose factor. Nominal values are when waste disposal occurs at the start of operations; timeline values are when waste disposal occurs at the end of operations. The differences (Δ values) in the last column of each table equal the timeline concentration or dose factor minus the nominal concentration or dose factor, where DF and CF are shorthand designations for dose factor and concentration factor, respectively.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Evaluation of the mean excitation energy of liquid argon

Current and future experiments need to know the stopping power of liquid argon. It is used directly in calibration, where commonly the minimum-ionizing portion of muon tracks is used as a standard candle. Similarly, muon range is used as a measure of muon energy. More broadly, the stopping power figures into the simulation of all charged particles, and so uncertainty propagates widely throughout data analysis of all sorts. The main parameter that controls stopping power is the mean excitation energy, or I-value. Experimental information for argon's I-value come primarily from measurements of gaseous argon, with a very limited amount of information from solid argon, and none from liquid argon. These measurements are reviewed, along with a discussion of the difference in central value and uncertainty incurred by the difference of phase. The values newly recommended by this note are $(188 \pm 6)$ eV for gaseous argon and $(197 \pm 8)$ eV for liquid argon (68% C.L. in each case).

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Results and Responses for the 2022 User Forum Survey [Slides]

This presentation discusses the results of a MCNP user survey. Example of questions asked include: "Which MCNP particle types do you typically use?," "What sort of simulations do you run most often?," "Do you build the code?," "Which variance reduction methods do you use?," "Opinions on HDF5," with frequent discussions regarding each question.

96 KNOWLEDGE MANAGEMENT AND PRESERVATION↗

LLNL Macroscopic Anisotropic Explosives Research At INL National Security Test Range: Shot Narrative

This series of experiments is exploring new frontiers in explosives science, technology, and engineering. The extensive list of experiment shots is necessary to sort out what works and what does not work in searching for an environment that supports anisotropic detonation properties in explosives. These experiments have been designed to serve as an economical and efficient first-cut determination as to whether there is any validity to an explosive analog to a series circuit of electrical diodes. That is, the detonation moves more easily in the “forward” direction than the “backward” direction. The basic data gleaned from these experiments will be used to design experiments that will be shot in the 10 kg tank at the High Explosives Application Facility (HEAF) at the Lawrence Livermore National Laboratory. In turn, those shots that will be heavy in diagostics and instrumentation, providing basic data that will be used by simulation code developers in creating high explosive models that account for air gap and oblique explosive surfaces undergoing sympathetic detonation.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Transactive Systems Simulation and Valuation Platform Trial Analysis

Transactive energy systems use principles of value to coordinate responsive supply and demand in energy systems. Work continues within the Transactive Systems Program, which is funded by the U.S. Department of Energy at Pacific Northwest National Laboratory, to understand the value of, understand the theory behind, and simulate the behaviors of transactive energy systems. This report summarizes recent advances made by this program. The main capability advances include a more comprehensive valuation model, including recommended documentation that should make valuation studies of all sorts more transparent, definition of economic metrics with which transactive mechanisms can be evaluated, and multiple improvements to the time-simulation environment that is being used to evaluate transactive scenarios.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Excitations of the Nucleon – N* spectroscopy with CLAS

Baryon spectroscopy began in 1952 with the discovery of the first Δ resonance by Fermi and collaborators. By the mid-1980s a sizeable collection of resonances had been identified in pion-Nucleon scattering, and particle physics left this field for higher-energy pastures, confident that a basic understanding of the Nstar spectrum was at least close, if not exactly in hand. With time, refinements of the quark model provided a systematic ordering to the observations but, annoyingly, predicted the existence of many more states than had been observed, which lead to speculations of mechanisms that restricted the degrees of freedom. Only recently (2011) have theoretical advances finally allowed a direct computation of the nucleon spectrum in Lattice-QCD, with the startling confirmation of large numbers of "missing" excited states. With the advent of new facilities, the last decade has seen a renaissance of sorts in photo-meson production experiments, in which polarization has been used to constrain the production amplitudes to a degree not achieved in π+N reactions, and a great many new Nstar candidates are emerging. The additional flexibility in the 4-momentum transfer has been used with electron scattering to probe the excitation process and the role of the meson cloud. Highlights in the context of the CLAS N* spectroscopy program at Jefferson Lab will be reviewed.

Sandorfi, Andrew↗

NEAMS Technical Area Support in MOOSE

The Multiphysics Object-Oriented Simulation Environment (MOOSE) framework is a foundational capability used by the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program to create over 15 different simulation tools for advanced nuclear reactors. Due to this ubiquity, improvements to the framework in support of modeling and simulation goals are critical to the program. These improvements can take many forms, including optimization, improved user experience, streamlined application programming interfaces (APIs), parallelism, and new capabilities. The work transcribed in this report was conducted in direct support of the simulation tools and has already been deployed. The capabilities outlined in this report include a factor of 10^4 improvement in dependency resolution speed, sorting of user objects, ability to compute residuals and Jacobians together, transfer fixes, support for the mortar method in finite volume discretizations, addition of generalized advection schemes for fluid simulations, 10^2 speedup in some Griffin simulations due to a new matrix-only solve type, and much more.

97 MATHEMATICS AND COMPUTING↗

Machine Learning-driven Molecular Design for Therapeutic Discovery

The ongoing novel coronavirus pandemic (COVID-19) has highlighted the need for new therapeutics to counter the threat of emerging viral pathogens. The main proteases are a promising target for developing antiviral inhibitors. In this work, we utilized a novel combination of artificial intelligence-driven iterative design of covalent inhibitor candidates, physics-based computational modeling of protein-inhibitor interactions, and “All in One” Native MS biophysical assay screening and characterization of therapeutic candidates. With our existing expertise in hit generation using a particular scaffold as a starting point, we first generated tens of thousands of compounds that preserve the key scaffold. In order to optimize the candidates, we calculated about 136 descriptors consisting of 2D and 3D features for molecules targeting the SARS-CoV-2 Main protease (Mpro). These compounds were initially filtered according to properties and further sorted by predicted binding affinity using our automated docking modeling and machine learning methods. We tested a handful of candidates and identified two as inhibitors of Mpro with micromolar affinities.

59 BASIC BIOLOGICAL SCIENCES↗

Interfacing Atmospheric Flow Tube to Ion Mobility Spectrometry: FY 2021 Final Report

An atmospheric flow tube (AFT) provides extended ion-molecule reaction times of 2-3 seconds compared to milliseconds in typical mass spectrometers. This results in several orders of magnitude enhanced sensitivity allowing for vapor detection at the parts-per-quadrillion levels when an AFT is coupled to a mass spectrometer (MS). The goal of this project was to demonstrate the feasibility of integrating an AFT ionization source to a more portable ion mobility spectrometer (IMS). This project was successful in integrating AFT to IMS, as shown in Figure ES.1. The PNNL team demonstrated measurable ion signal from an AFT-IMS with a Faraday plate detector. Reasonable ion signals were detectable at low flow rates approaching 1 m/s. This is close to the flow rates used with the AFT-MS, which has demonstrated parts-per-quadrillion vapor detection. Vapor detection enables non-contact detection of a variety of illicit substances for various applications including cargo screening, mail sorting facilities, and checkpoints. With further improvements to enhance detection, AFT-IMS has the potential to allow ultra-trace vapor detection in a more portable device.

46 INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AND ↗

Remapping of Data Between One-Dimensional Meshes

In this report we present two approaches to data remapping between one-dimensional meshes implemented with the c++ programming language. Our goal was to test the performance of two search algorithms, linear and binary, and verify the accuracy of our implementations of the two methods. We first introduce the concept of data remap and meshing components, as well as their various uses. We then delve into the differences between point-wise and conservative remap, the algorithms used in the implementations, and lastly confirm the implementations work as intended when given various inputs. We expect that, after profiling, the binary search algorithm will be more efficient than the linear algorithm for sorted sets of data, the point-wise remap implementation to accurately approximate the data transfer between two meshes, and the conservative remap implementation to conserve the area underneath the curve of two distinct meshes.

97 MATHEMATICS AND COMPUTING↗

BETO Visit: Investigating Large-Scale Cultivation Processes [Slides]

Questions: How important is density management in a scaled system?; What processes are currently proposed/used, and how are they deployed?; What sort of information (tools/experimentation) would be helpful?; What can be learned that can inform better strain, cultivation systems, operations and tools development for increased productivities?; Beginning with the end in mind?

59 BASIC BIOLOGICAL SCIENCES↗

EOSPAC User's Manual: Version 6.5 Second Edition (Rev. 3)

The EOSPAC utility package is a collection of interface routines, which can be used to access the SESAME data library and perform various data adjustments and interpolations on the SESAME data. The SESAME data library contains both thermodynamic (e.g., equation of state) and transport coefficients (e.g., opacity and conductivity). Note, for simplicity, the term EOS (equation of state) used herein includes both thermodynamic variables and transport coefficients. The EOSPAC utility package is designed to be used by physics codes (henceforth ”host codes”) written in multiple languages and on multiple platforms. The remainder of this manual is organized into several sections. Chapter 2 discusses conventions such as data organization and routine names. Chapter 3 provides a general overview of basic theory and models implemented within EOSPAC. Chapter 4 provides a general overview of how to use the EOSPAC interface library. Chapters 5 to 7 describe the public interfaces of EOSPAC in detail. Chapter 8 provides a brief introduction to some related tools, which may be of use to the user. Chapter 9 provides details related to some selected numerical features of EOSPAC. Chapter 10 gives examples for using the interface routines described in chapters 5 to 7. Chapter 11 provides technical support contact information. Chapter 12 contains a brief set of acknowledgments. Chapter 13 contains a list of referenced documents. Finally, chapter 14 lists the “table types: mnemonic conventions”, “table types: grouped by category, sorted by name”, “table types: eospac version 5 cross reference”, “options: setup phase”, “data information parameters”, “meta-data information parameters”, “options: interpolation phase”, and the “error codes”.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Pressurized-Water Reactor Core Design Demonstration with Genetic Algorithm Based Multi-Objective Plant Fuel Reload Optimization Platform

LWRS M3 milestone report due September 15, 2023. This report summarizes development and demonstration activities of PRLO optimization platform built in Risk Analysis and Virtual ENviroment (RAVEN), specifically: (1) Improvement of multi-objective non-dominated sorting genetic algorithm II (NSGA-II) to handle large size of objectives and constraints, (2) Demonstration of pressurized water reactor core design with NSGA-II multi-objective optimization platform, and (3) Single-objective optimized core design including system analysis and fuel performance feedback.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

An Integrated Approach to Predicting Ash Deposition and Heat Transfer in Coal-Fired Boilers

The overall goal of this project is to develop via measurements and simulations an advanced online technology to predict, monitor and manage fireside ash deposition in a coal-fired boiler allowing for more efficient operations under a range of load conditions and fuel property variability. With this in place fuel sorting and blending can be done upstream and operations can be optimized to compensate for load and fuel properties. In support of this objective, three experimental campaigns were undertaken during the course of the project to measure ash deposition rates within the boiler at different fuel flow rates and its ash composition variability. Simulations of the experimental conditions representing actual geometry, operational scenarios in terms of air flow rates, coal flow rates as well as coal compositions, heating values, and particle size distributions were also carried out. Deposition rates were predicted using a unique particle kinetic energy and viscosity based ash deposition methodology whose validity was ascertained by comparing against deposition rate measurements for widely varying operating conditions and ash compositions in a lab-scale furnace. With a unique end-to-end combustion modeling methodology established and different simulation scenarios carried out, the results from our computational fluid dynamic (CFD) simulations in conjunction with the plant data summarized in this report were used to refine Microbeam Technology Incorporated’s MTI CSPI-CT Tool to predict and monitor fire-side ash deposition under a range of load conditions and fuel property variability in real time.

01 COAL, LIGNITE, AND PEAT↗

Advanced Algal Biofoundries for the Production of Polyurethane Precursors

The primary goal of the BEEPs project was to develop a process that could accelerate the development of algae as bioproduction platforms, from initial chemical product concept to an economically viable market supply. Under this program we elected to develop strains of algae that could generate polyurethane precursors, while simultaneously developing basic genetic tools to enable improved algal production systems. This program was specifically designed to incorporate National Laboratories as a means to utilize the expertise and facilities for new bio-production platforms. To that end, we designed a program to collaborate with the Agile BioFoundry at Lawrence Berkeley National Laboratory (LBNL) and computational platforms at Pacific Northwest National Laboratory (PNNL). In addition to these National Laboratory partners, we also had academic partners from UC Davis and Georgia Tech, as well as commercial partners Algenesis Materials and BASF. To achieve these goals, we initially focused on developing the genetic tools and high throughput screening technologies necessary to generate and assess production of polymer precursors (succinic acid) in algae and cyanobacteria, including advanced promoters and biosensors. In parallel, we computationally identified potential production bottlenecks and then used the developed genetic tools to increase production rates and yields. Constant feedback of data was used in conjunction with machine learning, high-throughput cell sorting, and synthetic biology, for additional targeted metabolic engineering. Multiple rounds of tool design, building, testing, and learning were supplied to partners at PNNL and LBNL to develop new models and tools that could expedite bioproduction platform development and increase yield performance. We targeted, and achieved, the FOA requirement yield metric of 20 g/L, as a milestone and deliverable from at least one of our engineered strains for the production of succinic acid.

09 BIOMASS FUELS↗

Crush Gun Impact of Lightly Confined Explosive with Rounded Projectiles at Nominal Velocity 35 m/s

Blunt, crushing impact of high explosives can cause internal shear heating sufficient to ignite a deflagration. Low-velocity impact of this sort is plausible in handling accident scenarios, e.g. if a charge is dropped or an object is dropped onto a charge. This mechanism can also be activated during sub-shock fragment impact. Efforts to model this viscous shear heating mechanism are currently being developed and refined. The Crush Gun apparatus was created to provide a controlled low-velocity impact stimuli to explosive samples. Infrared thermography captures temporal- and spatially-resolved heating that occurs during the impact event.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Preliminary results addressing material qualification using combined ion irradiation and modeling data

Additively-manufactured (AM) materials have attracted increasing attention in recent years as a new method to make novel and customized components. While AM and conventionally produced materials are compositionally similar, they do possess different microstructures, necessitating assessment of materials produced via AM for their behavior in reactor environments. Some microstructures unique to AM materials, such as compositional micro-inhomogeneity and dislocation cell structures, are of particular importance since they may lead to different radiation performance. The performance of AM materials for advanced nuclear reactor applications is of interest to the Advanced Materials and Manufacturing Technologies (AMMT) program under the Department of Energy Office of Nuclear Energy. The AMMT program aims to demonstrate its new accelerated development and qualification methods via laser powder bed fusion (LPBF) 316 stainless steel (SS). Focusing on material bearing both 316L and 316H specifications, we integrate ion irradiation and modeling. This year, we focus on answering foundational questions related to process variability, alloy chemistry variation, and microchemical segregation. Experimental results provide information and motivate questions to the modeling effort, which aims to develop the ability to model radiation-driven microstructural evolution in additively-manufactured 316 stainless steel under a variety of advanced reactor conditions, including different temperatures, neutron spectra, and fluxes, in a sort of "virtual experiment". We perform in-situ and ex-situ ion irradiations and microstructural characterizations to support the development of AM materials for reactor applications, develop a phase field model of radiation-induced segregation in additively manufactured material with high angle grain boundaries and dislocation cells, and investigate the effect of carbon and chromium content on point defect behavior.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Plant Disease Detection Technology Assessment

Visual inspections by US Customs and Border Protection agriculture specialists have identified approximately 20,000 regulated, quarantined pests each year in agricultural products entering the United States. Most of these pests identified in the Agriculture Quarantine and Inspection (AQI) program are insects. Many pathogens are difficult to detect in agricultural products, particularly in early stages of infection. New technologies can help to detect plant pathogens and the diseases that they cause. This technology assessment was performed for the US Department of Homeland Security Science and Technology Directorate (DHS S&T) through the Food, Agriculture, and Veterinary Defense (FAV-D) program to identify emerging technologies that could address this hard problem. These emerging technologies differ in their diagnostic sensitivities and specificities, as well as in their measurement time and training requirements. New instruments that detect volatile organic compounds characteristic of plant disease or pathogens could provide a less invasive inspection method. Dogs, which can successfully detect many concealed agricultural products, have also been trained to detect some plant pests and pathogens. Simple immunological tests offer sensitive and specific detection of many pathogens at the point of use. Advanced imaging methods that use AI to sort fruits and vegetables and recognize anomalies at high speeds could be used in cooperation with exporters to improve food quality and reduce pests. Advances in nucleic acid–based detection methods that have become gold standards for confirmatory diagnostics are now making those methods available for faster, point-of-use detection. These new methods should be developed in the context of AQI operational requirements, which apply risk-based sampling protocols to protect agriculture and facilitate commerce and passenger transit.

59 BASIC BIOLOGICAL SCIENCES↗