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At least 901 records · Page 50

Reactor physics benchmark of Westinghouse PWR core design suite for high burnup/high enrichment fuel - Part 1: Pin and lattice

Westinghouse has performed a comprehensive set of code-to-code benchmark comparisons to corroborate application of its state-of-the-art NEXUS-based code suite to high burnup and high enrichment (HB/HE) fueled PWR core design and reload analysis. This paper focuses on analysis of the predictions for pin and lattice designs representative of HB/HE core reloads from the Westinghouse advanced lattice code PARAGON2, the Monte-Carlo code SERPENT2 and MPACT, the deterministic neutronic component of VERA. A companion paper presented at this conference analyzes results obtained with the Westinghouse ANC9 core simulator, using lattice data provided by PARAGON2 with the NEXUS cross-section methodology, and MPACT for 2D and 3D core configurations incorporating HB/HE fuel reloads to achieve cycle length extension to 24-month in high-power density PWRs. The results of the pin and lattice benchmark presented in this paper show that the neutronic predictions from PARAGON2 for HB/HE fueled PWRs are in remarkable agreement with predictions from both SERPENT2 and MPACT including for depletion to high fuel burnup values, and employing a set of challenging lattices which feature combined use of burnable absorbers to obtain the required reactivity hold-down to support PWR transition to HB/HE fuel and 24-month operational cycles. As corroborated by this analysis and the analysis contained in the companion paper, the Westinghouse NEXUS-based PWR core analysis package can be confidently applied by industry for design analysis of PWR core reloads adopting HB/HE fuel and properly support the industry commercialization plans for in-reactor deployment. (authors)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

PowerAnalytics.jl: User-Centric Power Systems Analysis in Julia

The National Laboratory of the Rockies recently released version 1 of PowerAnalytics.jl, an analysis module for the outputs of its popular open-source electrical power systems modeling platform Sienna. It features an extensible framework - based on the flexible selecting of components, the execution of arbitrary metrics on them, and a familiar DataFrames-based output interface with embedded metadata - to process results in the Sienna style while keeping the interface as simple as possible for non-Julia experts. Here, I describe the package and where it fits into the Sienna ecosystem, how I harnessed user-centered design and Julia features to achieve beginner friendliness without sacrificing performance and expressibility, and what lessons might be drawn from the package's design and implementation.

97 MATHEMATICS AND COMPUTING↗

ALTRIOS (Advanced Locomotive Technology and Rail Infrastructure Optimization System) [SWR-22-54]

The Advanced Locomotive Technology and Rail Infrastructure Optimization System (ALTRIOS) is a unique, fully integrated, open-source software tool to evaluate strategies for deploying advanced locomotive technologies and associated infrastructure for cost-effective decarbonization. ALTRIOS simulates freight-demand driven train scheduling, mainline meet-pass planning, locomotive dynamics, train dynamics, energy conversion efficiencies, and energy storage dynamics of line-haul train operations. Because new locomotives represent a significant long-term capital investment and new technologies must be thoroughly demonstrated before deployment, this tool provides guidance on the risk/reward tradeoffs of different technology rollout strategies. An open, integrated simulation tool is invaluable for identifying future research needs and making decisions on technology development, routes, and train selection. ALTRIOS was developed as part of a collaborative effort by a team comprising the National Renewable Energy Laboratory (NREL), University of Illinois Urbana-Champaign (UIUC), Southwest Research Institute (SwRI), and BNSF Railway. Python Package: https://pypi.org/project/altrios/ Rust Crate: https://crates.io/crates/altrios-core

Baker, Chad↗

Examination of the Extreme Cold Weather Event Affecting the Power System in Texas - February 2021 [Slides]

This presentation examines the extreme cold weather event that affected the power system in Texas in February 2021. The Texas load-shedding events were caused by a combination of record-high demand and cold weather issues that reduced the output from all types of generation. While some wind turbines were shutting down due to cold temperatures and icing and a lack of cold-weather packages, hourly wind output was accurately predicted. Extreme weather events historically drive grid reliability. Additional examination of more extreme events is needed to understand their impacts on the power system. As a national lab, NREL has the capabilities and facilities to help the industry address these types of challenges. NREL also has significant simulation and analysis capabilities (such as NAERM) that can help understand the impacts of extreme events. NREL also developed the Advanced Research on Integrated Energy Systems (ARIES) Research Platform, which enables evaluation of technologies that smooth grid operations during events like this.

17 WIND ENERGY↗

Energy-Storing Cryogenic Carbon Capture™ for Utility and Industrial-scale Processes (Final Report)

This project leverages work completed under funding from previous U.S. Department of Energy (DOE) projects and other sources of funding around the Cryogenic Carbon Capture Process™ (CCC). The purpose of this project is to further develop a perturbation of the CCC process that stores energy called the Cryogenic Carbon Capture™ Energy Storing (CCC-ES) process. The successful completion of the tasks in this project has prepared the CCC-ES process for scaling and developed initial plans and a feasibility analysis for an engineering-scale or small-commercial scale system that can store at least 10 MWh of energy. The specific areas of work in this project are: (1) Develop a conceptual, site-specific integrated process flow diagram: Sustainable Energy Solutions (SES) developed a conceptual, site-specific plan including a process flow diagram for integrating CCC-ES at a specific location. The proposed system was based on a typical engineering-scale CCC system designed to capture 30-50 metric tonnes of CO 2 per day (TPD), with modifications and additional changes and equipment put in place to add the energy storage element to the system. The 30-50 TPD scale corresponds to the required 10 MWh of stored energy. This task includes updating simulation software for transient analysis. SES also coordinated with the Jim Bridger Power Plant in Point of Rocks, Wyoming to get site-specific data. Using these data, SES completed site-specific preliminary process flow diagrams, estimated capital and operating costs for the CCC-ES system, and used the upgraded software package to estimate the primary figures of merit. (2) Complete a technoeconomic analysis (TEA): SES completed a full-scale TEA of the CCC-ES system to meet specific success criteria. This TEA used process information from the host site selected above. (3) Technology and data gap assessment for the CCC-ES process: As part of the technology gap assessment, SES performed an assessment of the best alternative energy storage solutions including figures of merit and operational strengths and weaknesses. SES then compared the proposed system with a discussion of how it addresses the weaknesses of alternative systems, showing for example a cost of stored energy at less than $50/MWh and with a roundtrip efficiency of greater than 95%. This assessment includes technical and other risk analyses and technology gaps with research and development needs to commercialize the process by 2030. Finally, work includes a commercialization roadmap/development pathway outlining the major milestones to move to a commercially operating CCC-ES system. (4) Phase II pre-FEED project plan: SES completed a project plan for the Phase II pre-FEED analysis using the same host site as in the Phase I conceptual study.

03 NATURAL GAS↗

Requirements Description of VARPOW

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s VARPOW code [1] that is used in present reactor analysis activities. These capabilities will then be used to establish the set of VARPOW verification tasks necessary to verify VARPOW for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The VARPOW program is a post-processing utility program for DIF3D, specifically DIF3DVARIANT. As covered in [1], the VARPOW program was built to provide input for follow-on steady state thermal-hydraulic analysis. Its primary purpose is to act as the interface between DASSH and DIF3D-VARIANT. The outputs from VARPOW are contained in three output files: Output.VARPOW, VariantMonoExponents.out, and MaterialPower.out.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Requirements Description of EvaluateFlux

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s EvaluateFlux code [1] that is used in present reactor analysis activities. These capabilities will then be used to establish the set of EvaluateFlux verification tasks necessary to verify EvaluateFlux for usage on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The EvaluateFlux program is a post-processing utility program for DIF3D, specifically DIF3D-VARIANT. As covered in [1], the EvaluateFlux program was built to allow users to obtain flux and power traverses through the domain. Its primary purpose was to facilitate foil analysis by evaluating the flux solution from DIF3D-VARIANT and combining it with foil cross section data. The outputs from EvaluateFlux are contained in four possible output files: FluxAndRegionRR.out, IsotopeMicroRR.out, LabeledRegionRR.out, and IsotopeMacroRR.out. Each file is focused on using the flux evaluate and cross section data in a different manner and all are covered in this verification process.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Requirements Description of GAMSOR and GAMSRC

This report presents the modeling and simulation capabilities of Argonne National Laboratory’s GAMSOR and GAMSRC code that is used in present reactor analysis activities. These capabilities will then be used to establish the set of verification tasks necessary to verify GAMSOR for use on commercial projects. A similar approach was taken for the PERSENT, REBUS and DIF3D software packages. The GAMSOR program is a modified version of DIF3D used to obtain the coupled neutron gamma flux distributions for a given reactor system. GAMSOR was first developed in the 1980s and its work has progressed in parallel with DIF3D throughout its various development phases. While GAMSOR is compatible with DIF3D-FD and DIF3D-Nodal, DIF3D-VARIANT is most commonly used today and will be the focus of the present verification effort. As covered in [1], GAMSOR was built to provide more accurate heating distributions by explicitly solving for both the gamma and neutron heating distributions. Without this consideration, gamma heat is normally assumed to be deposited locally at the site of gamma production. This is acceptable for modeling some phenomena because the total energy production is preserved, but it can lead to inaccurate approximations of fluence-dependent behaviors such as fuel performance, swelling, cladding embrittlement, radiation induced creep, and power peaking. The outputs from GAMSOR are contained in multiple intermediate and final output files: FIXSRC, VARSRC, GTFLUX, GHFLUX, PWDINT, NPDINT, and GPDINT. DIF3D normally produces a PWDINT file containing power density results, with the assumption that gamma rays are absorbed where they are emitted (i.e., energy deposition is local with no modeled transport). With GAMSOR, neutron power density (NPDINT) and gamma power density (GPDINT) are both produced, with their summed power densities replacing the results in PWDINT for total heating (i.e., recoverable) power density.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Compensation of heat load deformations using adaptive optics for the ALS upgrade: a wave optics study

In this paper, a realistic wave optics simulation method has been developed to study how wavefront distortions originating from heat load deformations can be corrected using adaptive X-ray optics. Several planned soft X-ray and tender X-ray insertion-device beamlines in the Advanced Light Source upgrade rely on a common design principle. A flat, first mirror intercepts the white beam; vertical focusing is provided by a variable-line-space monochromator; and horizontal focusing comes from a single, pre-figured, adaptive mirror. A variety of scenarios to cope with thermal distortion in the first mirror are studied by finite-element analysis. The degradation of the intensity distribution at the focal plane is analyzed and the adaptive optics that correct it is modeled. The range of correctable wavefront errors across the operating range of the beamlines is reported in terms of mirror curvature and spatial frequencies. The software developed is a one-dimensional wavefront propagation package made available in the OASYS suite, an adaptable, customizable and efficient beamline modeling platform.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Challenges in simulating ground interacting nuclear explosions

This paper summarizes recent above-ground nuclear explosion simulations as part of a broader effort to better characterize conditions within a fireball that may influence the chemical evolution of bomb materials and other materials entrained from the local explosion environment. A critical component of this work is validation against historic footage of atmospheric testing, requiring that we understand how the frequency-dependent sensitivity of the utilized film footage influences data captured in such images. We focus first on the early physics of a nuclear explosion in the atmosphere before discussing some of the technical challenges we seek to capture in late-time models that include more complex emplacement conditions and subsurface features. We discuss required physics packages (compressible hydrodynamics, radiation transport, as well as necessary ancillary tables such as equations of state (EOS) and opacities). Additionally, we note reasonable “shortcuts” one may make and their limitations, e.g., using ideal gas EOS, replacing spectrally resolved radiation with spectrally averaged radiation, and exchanging deterministic transport with diffusion. We then discuss an approach to achieving an equilibrated initial stress state for problems where buoyancy and subsurface lithostatic stress are important. Our methodology is presented in the context of LLNL’s ALE3D multiphysics code but may readily be implemented in other codes. In this paper, we start with a description of the challenges of NUDET simulations, followed by a presentation of the simulated intensity (flux) as it would appear on an analysis of the Dixie test. We then progressively introduce additional complexity in subsequent sections (near-surface burst and gravity initialization) before concluding.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

Sensitivity study of coupled chemical-CFD simulations for analyzing aluminum-clad spent nuclear fuel storage in sealed canisters

We report the United States Department of Energy (DOE) manages over 50 Metric Tons Heavy Metal (MTHM) of aluminum-clad spent nuclear fuel. One main source for DOE’s Aluminum-clad spent nuclear fuel (ASNF) inventory is the advanced test reactor (ATR) at the INL site, which makes this fuel of particular interest for storage scenarios. Road-ready and final disposition packaging configurations for the ATR fuel dictates storage within helium-backfilled, sealed DOE standard canisters. The conditions within these sealed canisters for extended (greater than50 year dry) storage is of interest. To further this goal, a three-dimensional (3D) multi-physics computational fluid dynamics (CFD) model is developed of the sealed DOE standard canisters. This 3D CFD model is one-way coupled with bulk gas radiolysis reactions considering sealed canisters with inert gas and possible trace amounts of air and water vapor. This study looks at the evolution of the thermal history of the canisters over a 50 year time period with a coupling to the chemical reactions occurring from radiolytic breakdown of residual water. A sensitivity study is then carried out over the parameters of the model including the fuel decay heat, residual water content, sealed pressure, canister external temperature, and canister emissivity. In pure helium, hydrogen generation rates are low, under 10 ppm, but hydrogen generation rates are affected greatly by the presence of even 1% residual air, increasing by 50-plus-fold, and nitric acid generation with residual air also occurs ranging from 500 to 4000 ppm after 50 years. The fuel decay heat and the residual water content show the most importance in the generation of hydrogen gas in pure air, and for nitric acid with a residual air condition. External temperature, canister emissivity and sealed pressure all show minor sensitivity effects to the generation of potentially harmful species.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Adversarial Sampling-Based Motion Planning

In this report there are many scenarios in which a mobile agent may not want its path to be predictable. Examples include preserving privacy or confusing an adversary. However, this desire for deception can conflict with the need for a low path cost. Optimal plans such as those produced by RRT* may have low path cost, but their optimality makes them predictable. Similarly, a deceptive path that features numerous zig-zags may take too long to reach the goal. We address this trade-off by drawing inspiration from adversarial machine learning. We propose a new planning algorithm, which we title Adversarial RRT*. Adversarial RRT* attempts to deceive machine learning classifiers by incorporating a predicted measure of deception into the planner cost function. Adversarial RRT* considers both path cost and a measure of predicted deceptiveness in order to produce a trajectory with low path cost that still has deceptive properties. We demonstrate the performance of Adversarial RRT*, with two measures of deception, using a simulated Dubins vehicle. We show how Adversarial RRT* can decrease cumulative RNN accuracy across paths to 10%, compared to 46% cumulative accuracy on near-optimal RRT* paths, while keeping path length within 16% of optimal. We also present an example demonstration where the Adversarial RRT* planner attempts to safely deliver a high value package while an adversary observes the path and tries to intercept the package.

42 ENGINEERING↗

A Multireference Approach to Electron and Electron–Nuclear Dynamics in Nanomaterials (Final Report)

Many important chemical and physical phenomena involve dynamics on large number of electronic states. Thus, there is a critical need to develop methods to simulate dynamics in dense manifolds of states. Towards this end, we have: a) developed the multiple cloning in dense manifolds of states (MCDMS) method, which is capable of accurately modeling the quantum mechanical coherence between populations on a large number of electronic states, b) implemented MCDMS into the free, open-source PySpawn software package, c) developed graphics processing unit-accelerated algorithms modeling electron dynamics in light fields via Floquet time-dependent configuration interaction (F-TDCI), and d) critically compared different orbital bases in order to achieve an accurate and efficient F-TDCI expansion. This grant ended in August 2020, when our group moved to from Michigan State University to Stony Brook University, where this project continues under grant number DE-SC0021643.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Hybrid Solar System (Final Scientific/Technical Report)

GTI Energy (GTI) teamed with the University of California at Merced (UCM) to scaleup the hybrid solar system (HSS) technology for demonstrating its performance at the US Gypsum (USG) plant in Plaster City, California. The technology integrates two-stage concentrating solar collector with matching particle thermal transport and storage (TSS) system to deliver cost-effective, and on-demand distributed high temperature industrial process heat up to 600°C with solar thermal, in this case to a gypsum kettle, to reduce its fuel use and carbon footprint. Current solar technologies, which reach these temperatures, are not distributable (towers) or cost-effective (dish). The research team developed a conceptual system design for host site retrofit, including preliminary heat balance, process flow diagram, particle to process heat exchanger and equipment placements at the site. Subsequently, parallel efforts were carried out at UCM to design, build and test a 12 m long commercial scale prototype concentrating thermal-only collector system and at GTI to design, build and test a matching 650°C capable particle TTS system. The nominal 50 kWth collector consists of a parabolic trough and three 4 m long two-stage receivers in series. Prior to on-sun testing, a 4 m long receiver was fabricated and successfully tested at 650 °C in a laboratory setting for 100 hrs of continuous operation showing less than 15% radiation loss. A 7 m wide x 17 m long parabolic trough was then installed at UCM for on-sun testing of the 12 m long receiver, and concurrently several 4 m long receivers were built. The optics of the parabolic trough were calibrated, and on-sun test were carried out on 12 m long receivers. During tests, the intense solar radiation (53x) caused the absorber tubes in the receivers to bend, reducing the overall optical efficiency. To address the bending issue, a self-consistent algorithm that includes ray tracing, thermal and deformation models was developed to perform thermal stress analysis on absorbers for parabolic solar collectors. Results obtained with this algorithm showed a dramatic rise in deformation as absorber tube length increases. A combined efficiency parameter that includes the occluded area for the mounts was developed to obtain an optimized tube length obtained. Based on the results, a length of 2.7 m for the absorber + 0.2 m for the coupler was chosen to minimize any bending and optimize optical efficiency while maintaining ease of mounting. The associated particle TTS system was designed, built and successfully tested at GTI. It includes storage, receiving and lock hoppers and piping that simulates the transfer of captured solar energy to an actual industrial furnace. Tests over 77 charge-discharge cycles demonstrated <2% particle degradation, with no problematic particle accumulations and no flow interruptions. The piping pressure drop was about 5 psi. The team also worked with Stanley Consultants (Stanley) to prepare conceptual and preliminary engineering packages to facilitate follow-on development and commercialization efforts. These include process and instrumentation diagram’s (P&ID’s), general arrangements, electrical one-line, project definitions document, equipment data sheets, schedule, and construction cost estimate for 2 MWth system. Updated HSS technology commercialization and customer engagement plans and detailed costs and evaluated market trade-offs and manufacturing.

03 NATURAL GAS↗

Investigation of core impurity transport in DIII-D diverted negative triangularity plasmas

Abstract Tokamak operation at negative triangularity has been shown to offer high energy confinement without the typical disadvantages of edge pedestals (Marinoni et al 2021 Nucl. Fusion 61 116010). In this paper, we examine impurity transport in DIII-D diverted negative triangularity experiments. Analysis of charge exchange recombination spectroscopy reveals flat or hollow carbon density profiles in the core, and impurity confinement times consistently shorter than energy confinement times. Bayesian inferences of impurity transport coefficients based on laser blow-off injections and forward modeling via the Aurora package (Sciortino et al 2021 Plasma Phys. Control. Fusion 63 112001) show core cross-field diffusion to be higher in L-mode than in H-mode. Impurity profile shapes remain flat or hollow in all cases. Inferred radial profiles of diffusion and convection are compared to neoclassical, quasilinear gyrofluid, and nonlinear gyrokinetic simulations. Heat transport is observed to be better captured by reduced turbulence models with respect to particle transport. State-of-the-art gyrokinetic modeling compares favorably with measurements across multiple transport channels. Overall, these results suggest that diverted negative triangularity discharges may offer a path to a highly-radiative L-mode scenario with high core performance.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

TEQUILA: a platform for rapid development of quantum algorithms

Variational quantum algorithms are currently the most promising class of algorithms for deployment on near-term quantum computers. In contrast to classical algorithms, there are almost no standardized methods in quantum algorithmic development yet, and the field continues to evolve rapidly. As in classical computing, heuristics play a crucial role in the development of new quantum algorithms, resulting in a high demand for flexible and reliable ways to implement, test, and share new ideas. In this paper, inspired by this demand, we introduce TEQUILA, a development package for quantum algorithms in PYTHON, designed for fast and flexible implementation, prototyping and deployment of novel quantum algorithms in electronic structure and other fields. TEQUILA operates with abstract expectation values which can be combined, transformed, differentiated, and optimized. On evaluation, the abstract data structures are compiled to run on state of the art quantum simulators or interfaces.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

HyPerPy (Hydrogen Extraction and Parabolic Trough Plant Performance Models using Python) [SWR-21-53]

The HyPerPy package consists of three scripts: 1) Model for Hydrogen Tracking in Parabolic Trough Power Plants, 2) Model for Receiver Performance, and 3) Model for Hydrogen Extraction Process. The power plant model (1) tracks hydrogen generation and transport within the circulating heat transfer fluid (HTF) of the power plant. This script is a transient, initial value simulation, in which the hydrogen concentration in the circulating HTF is 0 moles per cubic meter everywhere at time 0 seconds. Hydrogen concentration is calculated at discrete locations within the circulating HTF with 4-second time resolution. During each time step, the change in hydrogen concentration due to hydrogen generation and permeation is calculated for each location according to the local HTF temperature, vessel or piping properties, hydrogen concentration and partial pressure. This model predicts hourly hydrogen concentrations for typical operating days in the spring, summer, fall, and winter seasons. Data is used to create hourly mappings of hydrogen concentrations for a typical operating year. The receiver model (2) uses a 1-hour time step to estimate getter loading and annulus pressure. For each time step, the model uses HTF and ambient temperature data to estimate absorber tube, bellows, and getter temperatures for the time step. In addition, the model uses hourly HTF hydrogen concentrations that are generated by the power plant model (1), and annulus hydrogen pressure from the previous time step. With these data, the model calculates the moles of hydrogen permeating across the absorber tube and bellows during the time step. The net change in moles hydrogen is added or subtracted from the getter loading for the previous time step, and the hydrogen pressure is re-calculated based on getter loading and temperature. The model uses this algorithm to simulate hydrogen permeation and loading 24 hours per day, 365 days per year using seasonal temperature data. The model repeats these calculations for 25 years to create a mapping of receiver getter loading and annulus hydrogen pressure for four seasons of each year. The model for hydrogen extraction (3) estimates hydrogen extraction rates for a specific separation module configuration. The rate depends primarily on membrane area, vacuum pump performance, headspace gas flowrate to the membrane, and headspace gas hydrogen partial pressure. This model has two versions. The steady-state version predicts hydrogen extraction rates when the module is operating in separation mode. The dynamic version predicts hydrogen transfer through the membrane when the module is operating in sensor mode. The steady-state version is used with the plant model (1) to predict hydrogen partial pressures in the power plant when the extraction process is operating.

Glatzmaier, Gregory↗

HOSS: Hybrid Optimization Software Suite

HOSS software, developed at LANL, is a powerful, flexible, and parallelized package that enables the user to predict deformation and failure of materials in a variety of situations. LANL’s HOSS software is an R&D 100 finalist that integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to handle millions of interacting and fracturing solids and/or particle systems. This nextgeneration simulation software integrates solid mechanics and computational fluid dynamics into a multi-physics platform able to provide state-of-the-art simulation solutions for a wide field of applications including oil and gas, construction, mining, defense, material sciences, and biomechanics.

36 MATERIALS SCIENCE↗