Next Generation Safeguards Initiative Human Capital Development Roadmap: Assessing Temporal Trends in Nuclear Safeguards Core Capabilities
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Dewji, Shaheen A↗
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RadSim: Particle Transport Wrapper
RadSim is being developed to provide the capability to simulate radiation source emissions, interpolate results from radiation transport tools into a common format to prepare incident flux, and model radiation detector response. This software package includes wrapper API code which is utilized in the development of the second (transport) task of the RadSim project. This software package only contains tools to interface RadSim with radiation transport tools (GEANT4 and MCNP) and does not include any part of the transport source code itself. The users will need prior access to the transport tools (GEANT4 and MCNP), and can use this software package to interface with the transport tool of their choice. This software package takes the geometry file for a radiation transport problem and converts it into an input deck for the transport tools (GEANT4 and MCNP). Additionally, it also contains filters that convert the output of the transport tools to a common flux format.
Cheung, Hoi Sing↗
Engineering-scale Modeling of High-Temperature Creep and Creep Crack Growth in Alloy 316H
This document demonstrates completion of the goals described in the technical narrative of the Department of Energy’s Industry Funding Opportunity Announcement (iFOA) project entitled “Modeling and Simulation Development Pathways to Accelerating KP-FHR Licensing,” which relates to the development and demonstration of capabilities for conducting engineering-scale simulations of Alloy 316H components under high-temperature conditions. This work encompassed two major aspects: integrating and testing constitutive models for the creep response of 316H at high temperatures, and developing tools for modeling creep crack growth (CCG) in 316H. Two classes of constitutive models were used in this effort: phenomenological models based on behavior observed at the engineering scale, and reduced-order models (ROMs) that represent the nonlinear response of mesoscale models that capture the sensitivity to material microstructure and processing. Likewise, the approaches employed for CCG modeling considered both simplified engineering approaches and detailed simulations of creep and damage ahead of the crack tip. These developments, which were performed by utilizing the Grizzly code as well as the open-source libraries it depends on, strengthen Grizzly’s ability to support licensing and safety analyses of high-temperature reactor components.
316H↗
Uncertainty Quantification of Fatigue Behavior of Rough AM Surfaces and Microstructures to Enable Hydrogen Gas Turbine
Modifying fossil-fueled industrial gas turbines to utilize low or zero-carbon fuels, such as hydrogen or hydrogen-natural gas blends, is a complex endeavor. The successful implementation of this technology hinges on three key design criteria: (1) developing new fuel injectors capable of efficiently burning alternative fuels, (2) ensuring manufacturability to meet cost and time-to-market goals, and (3) achieving component durability in the demanding environment of an operating gas turbine. Additive manufacturing (AM) accelerates product development, yet concerns persist regarding the durability of parts with rough AM surfaces. A fully experimental approach to quantify the fatigue performance of rough AM microstructures is both costly and labor-intensive. To address this, ORNL and Solar Turbines Incorporated (Solar) employed a crystal plasticity finite element (CPFE) model to identify the factors influencing AM surface fatigue behavior. These CPFE findings, combined with targeted experimental data, were used to develop a computationally efficient surrogate model suitable for assessing the lifespan of gas turbine engine components.
08 HYDROGEN↗
Plasma Surface Interactions: Predicting the Performance and Impact of Dynamic PFC Surfaces
The objective of this project is to develop, and integrate, high-performance simulation tools capable of predicting plasma-facing component (PFC) operating lifetime and the impact of the evolving surface morphology of tungsten-based PFCs on plasma contamination, including the dynamic recycling of fuel species and tritium retention, in future magnetic fusion devices. Establishing a fundamental physical understanding and developing predictive capabilities of plasma-surface interactions (PSI) requires simultaneously addressing complex and diverse physics occurring over a wide range of length (Angstroms to meters) and time (femtoseconds to years) scales, as well as integrating extensive physical processes across the plasma–surface interface. This requires development of not only detailed physics models and computational strategies at each scale, but also algorithms and methods to couple them effectively in a way that can be robustly validated. Deploying these tools requires the continued development and coupling of leadership-scale computational codes to describe the boundary plasma and the evolving PFC surface, as well as a host of simulations that bridge disparate scales to address complex physical and computational issues at the plasma–surface interface in multi-component materials systems for magnetic fusion energy development beyond ITER.
36 MATERIALS SCIENCE↗
Trajectory Ensemble Methods Provide Single-Molecule Statistics for Quantum Dynamical Systems
The emergence of experiments capable of probing quantum dynamics at the single-molecule level requires the development of new theoretical tools capable of simulating and analyzing these dynamics beyond an ensemble-averaged description. In this article, we present an efficient method for sampling and simulating the dynamics of the individual quantum systems that make up an ensemble and apply it to study the nonequilibrium dynamics of the ubiquitous spin-boson model. We generate an ensemble of single-system trajectories, and we analyze this trajectory ensemble using tools from classical statistical mechanics. Our results demonstrate that the dynamics of quantum coherence is highly heterogeneous at the single-system level due to variations in the initial bath configuration, which significantly affects the transient exchange of coherence between the system and its bath. Here, we observe that single systems tend to retain coherence over time scales longer than that of the ensemble. We also compute a novel thermodynamic entanglement entropy that quantifies a thermodynamic driving force favoring system–bath entanglement.
37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
New high-throughput endstation to accelerate the experimental optimization pipeline for synchrotron X-ray footprinting
Synchrotron X-ray footprinting (XF) is a growing structural biology technique that leverages radiation-induced chemical modifications via X-ray radiolysis of water to produce hydroxyl radicals that probe changes in macromolecular structure and dynamics in solution states of interest. The X-ray Footprinting of Biological Materials (XFP) beamline at the National Synchrotron Light Source II provides the structural biology community with access to instrumentation and expert support in the XF method, and is also a platform for development of new technological capabilities in this field. Hee, the design and implementation of a new high-throughput endstation device based around use of a 96-well PCR plate form factor and supporting diagnostic instrumentation for synchrotron XF is described. This development enables a pipeline for rapid comprehensive screening of the influence of sample chemistry on hydroxyl radical dose using a convenient fluorescent assay, illustrated here with a study of 26 organic compounds. The new high-throughput endstation device and sample evaluation pipeline now available at the XFP beamline provide the worldwide structural biology community with a robust resource for carrying out well optimized synchrotron XF studies of challenging biological systems with complex sample compositions.
38 RADIATION CHEMISTRY, RADIOCHEMISTRY, AND NUCLEA↗
NetMOD v. 1.0
NetMOD is a tool to model the performance of global ground-based explosion monitoring systems. The version 2.0 of the software supports the simulation of seismic, hydroacoustic, and infrasonic detection capability. The tool provides a user interface to execute simulations based upon a hypothetical definition of the monitoring system configuration, geophysical properties of the Earth, and detection analysis criteria. NetMOD will be distributed with a project file defining the basic performance characteristics of the International Monitoring System (IMS), a network of sensors operated by the Comprehensive Nuclear-Test-Ban Treaty Organization (CTBTO). Network modeling is needed to be able to assess and explain the potential effect of changes to the IMS, to prioritize station deployment and repair, and to assess the overall CTBTO monitoring capability currently and in the future. Currently the CTBTO uses version 1.0 of NetMOD, provided to them in early 2014. NetMOD will provide a modern tool that will cover all the simulations currently available and allow for the development of additional simulation capabilities of the IMS in the future. NetMOD simulates the performance of monitoring networks by estimating the relative amplitudes of the signal and noise measured at each of the stations within the network based upon known geophysical principles. From these signal and noise estimates, a probability of detection may be determined for each of the stations. The detection probabilities at each of the stations may then be combined to produce an estimate of the detection probability for the entire monitoring network.
Merchant, Bion J↗
CYVET: A Cyber-Physical Assurance Framework Based on a Semi-Supervised Vetting Approach
The project is designed to directly address the needs described in the Topic Area 4 (“Cybersecurity Verification and Validation”) of the CEDS’19 Research Call. The proposed CYVET system directly addresses the need to elevate the current industry capabilities to verify and validate OT cybersecurity and associated control system infrastructure. Currently, there is a significant gap in the energy sector’s capability in that regard during infrastructure improvement, equipment procurement, and compliance certification. CYVET provides that needed capability. CYVET is device and architecture agnostic and thus broadly applicable across the energy sector. The goal of this project is to develop and deliver a cybersecurity verification and validation framework testing capability to verify and validate OT equipment, software, and the underlying control system architecture. The primary project objectives are (i) Verification: the synthesis and reconciliation of standards and vendor supplied features, (ii) Validation: the generation, execution, and presentation of testing scripts of verified security features, and (3) Demonstration: apply the developed technology capabilities for verification and validation at a relevant end-user facility in the energy sector.
Lopez Jr, Juan↗
Status Report for NEET In-Pile Sensor Irradiation Capabilities at TREAT
The recently-established in-pile sensor development project under the Nuclear Energy Enabling Technology (NEET) program is focused on the development of measurement technologies to enable acquisition of data focused on the performance, properties, and boundary conditions of nuclear fuels/materials under irradiation in nuclear reactors. These sensors can be used in steady state irradiation tests to measure parameters of interest under conditions representing normal nuclear plant operation, or in transient irradiation tests to determine specimen performance under postulated unplanned conditions. In either case, development of suitable sensor technologies must include instrument irradiations to help guide sensor material/design selection, verify instrument performance, and demonstrate deployment viability. The Transient Reactor Test facility (TREAT) while just a part of the overall capabilities portfolio needed to enable this sensor development mission, has unique capabilities and characteristics that make it well poised for a number of instrument irradiation data objectives including sensor survivability screening, response characterization, qualification tests, and in-situ properties measurements. TREAT’s brilliantly-basic design, when married with appropriate irradiation hardware and analytic capabilities, fills a crucial capability gap between out-of-pile testing and irradiation in steady state high power research reactors. Leveraging a recently developed approach to irradiation testing in TREAT, the present work demonstrates that cost-effective and scientifically-impactful instrument irradiation capabilities for TREAT are a well-placed capability in the NEET in-pile sensor development project.
11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
Commercial Building Energy Code Field Study (Final Report)
What is the dollar value of increasing compliance with the energy code? Ultimately, this is the question that policy makers, funders, and program implementers care about. With this in mind, Pacific Northwest National Laboratory (PNNL) developed a new methodology capable of determining how much energy cost savings could potentially be gained through better compliance with the code (Rosenberg et al. 2016). On March 2, 2016 DOE issued Funding Opportunity Announcement (FOA) Number DE-FOA-0001532, requesting proposals to develop and test a methodology for identifying the commercial energy code requirements that can provide the maximum cost-effective energy and cost savings through increased compliance. Awarded to the Institute for Market Transformation, this report summarizes the development and testing of a commercial code compliance methodology, including a summary of results, statistical analysis of sample, and best practices for others implementing a commercial energy code compliance field study.
32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗
MATCHED-INDEX-OF-REFRACTION FLOW FACILITY FOR FUNDAMENTAL AND APPLIED RESEARCH
Significant challenges face reactor designers with regard to thermal hydraulic design and associated modeling for advanced reactor concepts. Computational thermal hydraulic codes solve only a piece of the core. There is a need for a whole core dynamics system code with local resolution to investigate and understand flow behavior with all the relevant physics and thermo-mechanics. The matched index of refraction (MIR) flow facility at Idaho National Laboratory (INL) has a unique capability to contribute to the development of validated computational fluid dynamics (CFD) codes through the use of state-of-the-art optical measurement techniques, such as Laser Doppler Velocimetry (LDV) and Particle Image Velocimetry (PIV). PIV is a non-intrusive velocity measurement technique that tracks flow by imaging the movement of small tracer particles within a fluid. At the heart of a PIV calculation is the cross correlation algorithm, which is used to estimate the displacement of particles in some small part of the image over the time span between two images. Generally, the displacement is indicated by the location of the largest peak. To quantify these measurements accurately, sophisticated processing algorithms correlate the locations of particles within the image to estimate the velocity (Ref. 1). Prior to use with reactor deign, the CFD codes have to be experimentally validated, which requires rigorous experimental measurements to produce high quality, multi-dimensional flow field data with error quantification methodologies. Computational thermal hydraulic codes solve only a piece of the core. There is a need for a whole core dynamics system code with local resolution to investigate and understand flow behavior with all the relevant physics and thermo-mechanics. Computational techniques with supporting test data may be needed to address the heat transfer from the fuel to the coolant during the transition from turbulent to laminar flow, including the possibility of an early laminarization of the flow (Refs. 2 and 3) (laminarization is caused when the coolant velocity is theoretically in the turbulent regime, but the heat transfer properties are indicative of the coolant velocity being in the laminar regime). Such studies are complicated enough that computational fluid dynamics (CFD) models may not converge to the same conclusion. Thus, experimentally scaled thermal hydraulic data with uncertainties should be developed to support modeling and simulation for verification and validation activities. The fluid/solid index of refraction matching technique allows optical access in and around geometries that would otherwise be impossible while the large test section of the INL system provides better spatial and temporal resolution than comparable facilities. Benchmark data for assessing computational fluid dynamics can be acquired for external flows, internal flows, and coupled internal/external flows for better understanding of physical phenomena of interest. The core objective of this study is to describe MIR and its capabilities, and mention current development areas for uncertainty quantification, mainly the uncertainty surface method and cross-correlation method. Using these methods, it is anticipated to establish a suitable approach to quantify PIV uncertainty for experiments performed in the MIR.
22 GENERAL STUDIES OF NUCLEAR REACTORS↗
Particle Flow Solarthermal Redox Process to Split Water
The aim of this project is to develop novel solarthermal water splitting (STWS) materials and a STWS reactor capable of producing hydrogen gas in an economic (<2/gge H 2 ) and efficient manner (>26% solar to hydrogen efficiency) at commercial scales (>50,000 kg of H 2 /day). To meet these targets, new materials must be developed with high intrinsic STWS efficiencies and then fabricated into a robust, long-lived “reactor ready” form. Additionally, scalable novel reactors are necessary to efficiently deliver the solar heat to the reacting materials while minimizing parasitic efficiency losses such as unnecessary heating and cooling, electrical work and heat losses from the reactor (such as radiation, or conduction). In this project we will: 1) develop new materials capable of meeting the targets outlined above; 2) develop particle formulation capable of producing attrition resistant, long lived, “reactor ready” particles; 3) evaluate and refine the individual reactor components of our Particle Flow Solarthermal Reactor design; 4) develop an overall system model to be used for reactor design improvement and economic analysis; and 5) produce at least three liters of H 2 on-sun in an eight hour day using our developed materials and reactor design principles. Overall, we will move our STWS process from Technology Readiness Level (TRL) 2 to TRL3.
08 HYDROGEN↗
Big Data Analytic for Cascading Failure Analysis
With the challenges of increased grid dynamics and more variability of power generation from renewable energy sources, rapidly increasing complexity in the grid model, and abundant data from measurements and simulations, the requirements for computational analysis have also increased dramatically. Power system operators and engineers need to analyze more scenarios, extract meaningful information from a larger set of data, and respond more quickly when faced with these new challenges for large-scale applications, such as contingency analysis. This paper proposes a novel big data analysis approach for power system cascading analysis, prevention, and remediation. The developed techniques will be capable of cascading analysis, better assessment of the system’s vulnerability level, as well as proposing potential remediation. Case studies using IEEE 118-bus system and a 500-bus system, with a comparison against a commercial tool, validate the advantages of the developed big data approach: accurate prediction, and more importantly, faster and effective correction actions.The developed techniques could be further used for other power system applications.
big data, cascading analysis, corrective action, m↗
NREL Advancements in Methane Conversion Lead to Cleaner Air, Useful Products
Researchers at NREL leveraged the recent on-site development of gas fermentation capabilities and novel genetic tools to directly convert methane to lactic acid using an engineered methanotrophic bacterium. The results provide proof-of-concept data for a gas-to-liquids bioprocess that concurrently produces fuels and chemicals from methane. NREL researchers developed genetic tools to express heterologous genes in methanotrophic organisms, which have historically been difficult to genetically engineer. Using these tools, researchers demonstrated microbial conversion of methane to lactate, a high-volume biochemical precursor predominantly utilized for the production of bioplastics. Methane biocatalysis offers a means to concurrently liquefy and upgrade natural gas and renewable biogas, enabling their utilization in conventional transportation and industrial manufacturing infrastructure. Producing chemicals and fuels from methane expands the suite of products currently generated from biorefineries, municipalities, and agricultural operations, with the potential to increase revenue and significantly reduce greenhouse gas emissions.
09 BIOMASS FUELS↗
2017 Report for New LANL Physical Vapor Deposition Capability
There is an urgent need at LANL to achieve uniform, thin film actinide targets that are essential for nuclear physics experiments. The target preparation work is currently performed externally by Professor Walter Loveland at Oregon State University, who has made various evaporated actinide targets such as Th and U for use on several nuclear physics measurements at LANSCE. We are developing a vapor deposition capability, with the goal of evaporating Th and U in the Actinide Research Facility (ARF) at TA-48. In the future we plan to expand this work to evaporating transuranic elements, such as Pu. The ARF is the optimal location for evaporating actinides because this lab is specifically dedicated to actinide research. There are numerous instruments in the ARF that can be used to provide detailed characterization of the evaporated thin films such as: Table top Scanning Electron Microscope, In-situ X-Ray Diffraction, and 3D Raman spectroscopy. These techniques have the ability to determine the uniformity, surface characterization, and composition of the deposits.
73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
Development and verification of the pyIsoDep depletion package for nuclear thermal propulsion reactors
Nuclear thermal propulsion technology is currently being developed by the National Air and Space Administration for future manned Mars missions. There are multiple on-going activities to develop and enhance computational capabilities, single- and multi-physics, to advance the readiness level of this technology. The prediction of short-lived fission products is crucial to understand the reactivity penalty and the decay heat production during the different burnout stages of the vehicle. Generally, the solution entails coupled neutronic-depletion analysis. However, such simulations are somewhat expensive, especially if the duration of each engine burn is to be optimized. Therefore, there is a need to complement such high-fidelity techniques with time-efficient alternatives that do not require the sequential neutronic and depletion analysis. This paper details the methods and capabilities of pyIsoDep, an open-source code used for depletion analysis of nuclear thermal propulsion reactors. The package is general, in principle, and thus can be applied to any fission system, and can potentially be extended for fusion systems. The package was developed to provide a flexible and efficient alternative to pre-existing higher order depletion codes that could integrate well into mission and transient analysis of nuclear thermal propulsion reactors. Finally, this paper presents a validation and verification of pyIsoDep against analytical and Serpent-generated solutions. (authors)
21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗
Computer model for characterizing, screening, and optimizing electrolyte systems
Electrolyte systems in contemporary batteries are tasked with operating under increasing performance requirements. All battery operation is in some way tied to the electrolyte and how it interacts with various regions within the cell environment. Seeing the electrolyte plays a crucial role in battery performance and longevity, it is imperative that accurate, physics-based models be developed that will characterize key electrolyte properties while keeping pace with the increasing complexity of these liquid systems. Advanced models are needed since laboratory measurements require significant resources to carry out for even a modest experimental matrix. The Advanced Electrolyte Model (AEM) developed at the INL is a proven capability designed to explore molecular-to-macroscale level aspects of electrolyte behavior, and can be used to drastically reduce the time required to characterize and optimize electrolytes. Although it is applied most frequently to lithium-ion battery systems, it is general in its theory and can be used toward numerous other targets and intended applications. This capability is unique, powerful, relevant to present and future electrolyte development, and without peer. It redefines electrolyte modeling for highly-complex contemporary systems, wherein significant steps have been taken to capture the reality of electrolyte behavior in the electrochemical cell environment. This capability can have a very positive impact on accelerating domestic battery development to support aggressive vehicle and energy goals in the 21st century.
Gering, KevinL.↗