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At least 1,135 records · Page 63

Sensitivity and Uncertainty Quantification of Transition Scenario Simulations

This report documents the first collective attempt at developing and applying capabilities to quantify uncertainties, assess parametric sensitivities, and optimize multiple parameters and metrics in fuel cycle simulations generated by the SA&I Campaign. To do this, external codes that were designed to perform sensitivity analysis and uncertainty quantification (SA&UQ) needed to be coupled to the SA&I Campaign’s nuclear fuel cycle simulators (NFCS). In FY20, two approaches were pursued: 1) coupling Cyclus to an ORNL-internal code called MOT (Metaheuristic Optimization Tool) and 2) coupling DYMOND to the opensource SA&UQ tool kit Dakota. The primary objective of having these NFCS/SA&UQ coupled capabilities is to better inform DOE-NE and other stakeholders on the results generated from the NFCS. For a given set of fuel cycle strategies, policies, and technology assumptions that make up a fuel cycle scenario, these NFCS have traditionally been used by the SA&I Campaign to provide quantitative answers in terms of year-by-year mass flows, infrastructure requirements, costs, etc. With these newly developed coupled capabilities, the SA&I Campaign can now efficiently simulate hundreds or thousands of these scenarios, sample large ranges of parameters and assumptions, and use the unique features of the SA&UQ tools to process the data. This enables providing answers with known and propagated uncertainties, determining the sensitivity of important metrics to different parameters and assumptions, quantifying how much fuel cycle and technology parameters impact each other, and producing optimized fuel cycle strategies for single and multiple variables. To demonstrate these new capabilities, the Cyclus/MOT was used to model several scenarios ranging from simple fleet retirements to transitions to advanced reactors. Specifically, for a transition scenario from LWRs to SFRs and advanced LWRs, uncertainty quantification, sensitivity analysis, and optimization studies were applied to cases involving single and multiple parameter (input) and single and multiple metric (output) variations. In addition, a similar transition scenario was modeled to demonstrate how to optimize the reprocessing capacity parameter to minimize two performance metrics while taking into account uncertainties from two other parameters. Lastly, a depletion module based on SCALE/ORIGEN was added in Cyclus to simulate the third scenario that was designed to quantify the impact of the modeling assumption that all LWR used nuclear fuel have the same burnup. The newly developed DYMOND/Dakota capability was also applied to a transition scenario from the existing fleet to small modular reactors and fast reactors. This particular scenario involves not only explicit isotopic depletion via ORIGEN-2, but also includes multirecycling and utilizing the criticality search feature to determine the fresh fuel composition of recycled fuel, a feature unique to the DYMOND NFCS. A large database of simulations were run with 4 main parameters that were sampled: start date of reprocessing, reprocessing capacity, energy demand growth rate, and advanced reactor share of the fleet. The 4 main metrics were uranium consumption, enrichment requirements, waste generation, and levelized cost of electricity using data from the Cost Basis Report. The demonstrated SA&UQ results include those that inform on how to choose parameters to avoid “failed” scenarios, Sobol’ indices that inform on the importance of various parameters individually and synergistically, and Analysis of Variance (ANOVA) studies that decompose parameter ranges into groups and informs on whether variations are statistically significant.

Feng, B.↗

Towards Automatic and Agile AI/ML Accelerator Design with End-to-End Synthesis

Domain-specific designs offer greater energy efficiency and performance gain than general-purpose processors. For this reason, modern system-on-chips have a significant portion of their silicon area with custom accelerators. However, designing hardware by hand is laborious and time-consuming, given the large design space and the performance, power, and area constraints that are not realized in the software. Moreover, domain-specific algorithms (e.g., machine learning models) are evolving quickly, challenging the accelerator design further. To address these issues, this paper presents SODA Synthesizer, an automated open-source high-level ML framework to Verilog modular compiler targeting AI/ML Application-Specific Integrated Circuits (ASICs) accelerators. SODA tightly couples the Multi- Level Intermediate Representation (MLIR) compiler infrastructure [24] and open-source HLS approaches. Thus, SODA can support various ML frameworks and algorithms and can perform optimizations that combine specialized architecture templates and conventional HLS to generate the hardware modules. In addition, SODA’s closed-loop design space exploration (DSE) engine allows developers to perform end-to-end design space explorations on different metrics and technology nodes.

Zhang, Jeff↗

Risk Model for EM Decision Support Toolsets

The Government Office of Accountability (GAO) has published several reports identifying the need for the Department of Energy (DOE) Office of Environmental Management (EM) to address mounting costs for DoE's cleanup program. DOEEM could greatly benefit from independent decision tool-sets/models that would allow them to evaluate options and inform business decision at the enterprise level considering site-specific life cycle costs and system plans. Program goals: Develop a tool-set that enables EM to independently evaluate alternatives, assess outcomes from different contracting strategies, and inform critical decisions for the enterprise. Project goals: Adaption of a Risk Model for integration with complimentary tool-sets for project level decision making. Operational Events: Discrete event model that evaluates operational variables (e.g. capacity, throughput, maintenance constraints) and identify bottlenecks. Identifying and Bounding Project Risk: Identify risks that impact confidence in meeting goals (e.g. production). Life cycle Cost: Evaluate impacts of staffing levels, inventory, and capital investments on life cycle costs. Methods and approach: Monte Carlo Analysis is being executed to generate results: Input derives from Risk Register Data; Tied to Projected and Target Schedules; Incorporates float duration within the model. Assumes associated risk mitigation actions being completed within a timeline of five fiscal years. Metrics include: Confidence in Meeting Production Goal; Confidence in Safety Standards; Confidence in Continuous Operation; Other Metrics can be added as appropriate regarding specific site needs. The adapted risk model can be used as a stand alone decision tool or can be integrated complementary tool-sets (i.e. process and cost models) for project-specific decisions. These support tool-sets can then be integrated with others for site- and complex- level evaluations. Future work includes designing an adaptable and modular framework that would allow integration of multiple tool-sets for holistic and/or targeted evaluation of alternative strategies for decision making that could lead to risk and cost reduction across the enterprise.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Modularization of Ceramic Hollow Fiber Membrane Technology for Air Separation

This proposed project is aimed at studying high performance and economically competitive ceramic membrane technology for air separation and high-purity oxygen production using hollow fiber ceramic membrane stack and module technology. The design of the single permeate membrane is a hollow fiber substrate-supported thin tri-layer structure. Radially well-aligned micro-channels are embedded in the thick substrate and open at the inner surface of the substrate, enabling facile air/gas diffusion. The tri-layer structure of thin dense membrane layer (~ 10 µm) sandwiched by porous surface layer on either side is then built on the substrate using advanced fabrication process. The tri-layer structure design allows different materials to be used in different layers, where the materials of surface layers have high surface exchange coefficients while the material of dense layer has high bulk diffusivity. Such a synergetic combination leads to high permeation performance. The focus of the proposed project will be on membrane stack/module development using the developed single hollow fiber membranes, including: 1) fabrication and characterization of novel single hollow fiber membranes; 2) membrane stack design and assembly using fabricated single membranes; 3) stack modeling and analysis to guide membrane stack designs; 4) permeation performance testing and characterization of membrane stacks. The hollow fiber feature and simple sealing requirement enable very compact design of membrane stacks, which have excellent flexibility for further modularizations at different scales. The operations of such membrane stack and module may employ the exhaust heat from other components of Integrated Gasification Combined Cycle and oxy-combustion systems. Therefore, modularization of such an air separation membrane technology can be incorporated into the DOE’s REMS (radically engineered modular systems)-gasification skid and support the oxidant feed of an oxygen-blown REMS gasifier scaled to different ranges.

01 COAL, LIGNITE, AND PEAT↗

Post-hoc reweighting of hadron production in the Lund string model

We present a method for reweighting flavor selection in the Lund string fragmentation model. This is the process of calculating and applying event weights enabling fast and exact variation of hadronization parameters on pre-generated event samples. The procedure is post hoc, requiring only a small amount of additional information stored per event, and allowing for efficient estimation of hadronization uncertainties without repeated simulation. Weight expressions are derived from the hadronization algorithm itself, and validated against direct simulation for a wide range of observables and parameter shifts. The hadronization algorithm can be viewed as a hierarchical Markov process with stochastic rejections, a structure common to many complex simulations outside of high-energy physics. This perspective makes the method modular, extensible, and potentially transferable to other domains. We demonstrate the approach in Pythia, including both coverage considerations and timing benefits. For the purpose of this paper, our goal is to develop and demonstrate the the formalism, and we therefore exclude several model variations for baryon production (popcorn model, junction production) needed for proton collisions. These will be the topic of a future paper.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗

An Application of Molecular Recognition for the Efficient Removal of Cesium from Hanford Nuclear Waste by Modular Solvent Extraction

In this work, experimental results leading to flowsheet design are presented showing how a calixarene-crown ether based solvent-extraction process can meet the challenge of cesium removal from nuclear tank wastes stored at the US Department of Energy Hanford site. Cleanup of legacy Cold War nuclear waste stored in underground tanks represents one of the greatest environmental challenges facing the US Department of Energy in terms of risk, cost, and effectiveness of applicable science and technology. Planning for the cleanup at the Hanford Site calls for the removal of the radioactive fission product 137Cs from its alkaline salt waste, including the use of modular processes that can be deployed near the tank farms. To meet the resulting need for extremely high selectivity, the Next-Generation Caustic-Side Solvent Extraction (NG-CSSX) process employing a calix[4]arene-crown ether in modified kerosene has been adapted to remove sub-millimolar cesium in competition with molar sodium and potassium in a high-nitrate alkaline matrix. Potassium loading in the solvent was determined in extraction, scrubbing, and stripping, leading to an empirical model closely approximating cesium distribution ratios for a variety of Hanford waste types. Process chemistry has been developed based on this molecular-recognition approach, focusing on the competitive effect of potassium loading and the mitigating process modifications needed, including extending the scrub section. The result is a modular flowsheet design that can achieve cesium decontamination factors well in excess of 15,000 even for the worst-case Hanford waste.

Williams, Neil [ORNL] (ORCID:000000023159226X)↗

Pronghorn: A Multidimensional Coarse Mesh Application for Advanced Reactor Thermal-Hydraulics

This paper presents an overview of Pronghorn, a multiscale thermal-hydraulic (T/H) application developed by Idaho National Laboratory and the University of California, Berkeley. Pronghorn, built on the open-source finite element Multiphysics Object-Oriented Simulation Environment (MOOSE), leverages state-of-the-art physical models, numerical methods, and nonlinear solvers to deliver fast-running advanced reactor T/H simulation capabilities within a modern software engineering environment. This work summarizes the physical models, multiphysics and multiscale coupling, and numerical discretization in Pronghorn with emphasis on our initial target application to pebble bed reactors (PBRs). A diverse set of applications are shown to depressurized natural circulation in the SANA experiments, forced convection in the Pebble Bed Modular Reactor, three-dimensional (3-D)/one-dimensional coupling of Pronghorn and RELAP-7 systems T/H for loop analysis in the High Temperature Reactor Power Module, and forced convection in the Mark-1 Pebble Bed Fluoride-Salt-Cooled High-Temperature Reactor. A multiphysics coupling of Pronghorn, RELAP-7, and Griffin deterministic neutronics for a gas-cooled PBR demonstrates the capability of the MOOSE framework for reactor design calculations. These applications highlight the verification and validation underlying Pronghorn’s software development while emphasizing features that improve upon capabilities offered by legacy tools in areas such as 3-D unstructured meshing, physics modeling, and multiphysics coupling.

97 MATHEMATICS AND COMPUTING↗

Capacitor Voltage Ripple Estimation and Optimal Sizing of Modular Multi-Level Converters for Variable-Speed Drives

This article deals with the sizing of submodule capacitors for modular multilevel converters (MMCs) used for variable speed drives for medium voltage and high voltage electric machines. Variable speed drives are required to run over a wide frequency range from zero to a few hundred Hz or even over 1 kHz. Under low frequency operation (<30 Hz), a large current ripple flowing through the MMC submodule capacitors will cause significant capacitor voltage fluctuation. This article proposes an optimal submodule capacitor selection method based on the common-mode voltage injection. The proposed sizing model includes two functions: 1) accurately estimating the capacitor voltage ripple based on the drive system parameters; and 2) identifying the minimum capacitance of the submodule capacitors based on the allowed maximum capacitor voltage fluctuations. Simulation and experimental results show that the error between the actual and estimated values of the voltage fluctuation is within 3% using the proposed model.

42 ENGINEERING↗

Extracting Higher Central Charge from a Single Wave Function

A (2+1)D topologically ordered phase may or may not have a gappable edge, even if its chiral central charge c_ is vanishing. Recently, it was discovered that a quantity regarded as a "higher" version of chiral central charge gives a further obstruction beyond c_ to gapping out the edge. Here, in this Letter, we show that the higher central charges can be characterized by the expectation value of the partial rotation operator acting on the wave function of the topologically ordered state. This allows us to extract the higher central charge from a single wave function, which can be evaluated on a quantum computer. Our characterization of the higher central charge is analytically derived from the modular properties of edge conformal field theory, as well as the numerical results with the ν = 1/2 bosonic Laughlin state and the non-Abelian gapped phase of the Kitaev honeycomb model, which corresponds to U(1) 2 and Ising topological order, respectively. The Letter establishes a numerical method to obtain a set of obstructions to the gappable edge of (2+1)D bosonic topological order beyond c_, which enables us to completely determine if a (2+1)D bosonic Abelian topological order has a gappable edge or not. We also point out that the expectation values of the partial rotation on a single wave function put a constraint on the low-energy spectrum of the bulk-boundary system of (2+1)D bosonic topological order, reminiscent of the Lieb-Schultz-Mattis-type theorems.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗

Heat Pipe Enhanced Thermal Management System for GaN Switches in an Integrated Modular Motor Drive for Aircraft Propulsion

This paper presents the process of sizing a heat pipe enhanced thermal management system (TMS) for GaN switches in an integrated modular motor drive (IMMD) powering a 250 kW aircraft propulsion electric motor. A test setup mimicking the TMS and GaN switches assembly is constructed. The condenser chamber of the TMS is modeled in ANSYS Fluent while the GaN switches assembly is modeled in ANSYS Thermal allowing us to verify heat spreader temperature under test conditions and estimate GaN temperatures under test and actual application operating conditions.

DIRECT ENERGY CONVERSION↗

BI-LEVEL OPTIMIZATION FOR ELECTRICITY TRANSACTION IN SMART COMMUNITY WITH MODULAR PUMP HYDRO STORAGE

Grid integration of the increasing distributed energy resources could be challenging in terms of new infrastructure investment, power grid stability, etc. To resolve more renewables locally and reduce the need for extensive electricity transmission, a community energy transaction market is assumed with market operator as the leader whose responsibility is to generate local energy prices and clear the energy transaction payment among the prosumers (followers). The leader and multi-followers have competitive objectives of revenue maximization and operational cost minimization. This non-cooperative leader-follower (Stackelberg) game is formulated using a bi-level optimization framework, where a novel modular pump hydro storage technology (GLIDES system) is set as an upper level market operator, and the lower level prosumers are nearby commercial buildings. The best responses of the lower level model could be derived by necessary optimality conditions, and thus the bi-level model could be transformed into single level optimization model via replacing the lower level model by its Karush-Kuhn-Tucker (KKT) necessary conditions. Several experiments have been designed to compare the local energy transaction behavior and profit distribution with the different demand response levels and different local price structures. The experimental results indicate that the lower level prosumers could benefit the most when local buying and selling prices are equal, while maximum revenue potential for the upper level agent could be reached with non-equal trading prices.

Chen, Yang↗

Equilibrium studies of oxalate and aluminum containing solutions

The Savannah River National Laboratory (SRNL) was tasked to develop data on the solubility and conditions leading to precipitation of sodium oxalate, sodium nitrate, Bayerite (a polymorph of gibbsite, Al(OH) 3 ), and sodium aluminosilicate solids recently found in the Modular Caustic Side Solvent Extraction Unit (MCU). The data generated will be used to improve the OLI Systems thermodynamic database for these compounds allowing better prediction of solids formation by the modeling software in the future.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Frit Recommendation For Sludge Batch 9 Coupled Operation With The Salt Waste Processing Facility

Prior to the processing of Sludge Batch 9 (SB9) with Frit 803 at the Defense Waste Processing Facility (DWPF), assessments and experimental glass work were completed to support SB9 coupled processing with streams from the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). This previous work did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF) because the Product Composition Control System (PCCS) models limited the TiO2 concentration in glass to 2 weight percent (wt.%). These high activity streams from SWPF include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank (SSRT) as well as Cscontaining strip effluent (SE). The SWPF streams are expected to reach TiO2 concentrations in glass greater than 2 wt.% based on an MST strike of 0.4 g MST/L of salt solution. Therefore, revisions to the models contained in PCCS were completed to allow the evaluation of glasses containing greater than 2 wt.% TiO2, but less than 6 wt.%. Since the initial SB9 qualification for ARP-MCU coupled operation, additional Tank 40 analyses have been completed, which served as the basis for an updated projection of the SB9 blend composition in Tank 40. This projection will be used to support SB9 coupled operation with SWPF in 2019. Savannah River Remediation (SRR) has requested that the Savannah River National Laboratory (SRNL) select a second frit to optimize SB9 coupled operation with SWPF. The selected frit would provide operational flexibility by allowing an acceptable waste loading (WL) to be targeted while maintaining an operating window of at least ± 4 percentage points around this target. The objective of this study was to select a second frit based on a paper-study utilizing Measurement Acceptance Region (MAR) assessments with DWPF PCCS. To support these assessments, SRNL developed a new method for rigorous and directed optimization of frit compositions, which allowed for rapid screening and an assessment of a large array of candidate frits, and the ability to simultaneously satisfy the following single and double MST strike operating scenarios.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Selection of glasses in support of the Sludge Batch 9 variability study for coupled operation with the Salt Waste Processing Facility

Prior to the processing of Sludge Batch 9 (SB9) with Frit 803 at the Defense Waste Processing Facility (DWPF), assessments and experimental glass work were completed to support the qualification of SB9 coupled processing with streams from the Actinide Removal Process (ARP) and Modular Caustic Side Solvent Extraction Unit (MCU). This previous work did not address coupled processing with streams from the Salt Waste Processing Facility (SWPF) because the Product Composition Control System (PCCS) models limited the TiO 2 concentration in glass to 2 weight percent (wt.%). These high activity streams from SWPF include monosodium titanate (MST) and sludge solids from the Sludge Solids Receipt Tank as well as Cs-containing strip effluent. The incorporation of these SWPF streams is expected to reach TiO2 concentrations in glass greater than 2 wt.% based on an MST addition of 0.4 g MST/L of salt solution. If double strike operation is required, then the MST addition is increased to 0.8 g MST/L of salt solution. Therefore, revisions to the models contained in PCCS were completed to allow the evaluation of glasses containing greater than 2 wt.% TiO 2 , but less than 6 wt.%. To support the implementation of the revised PCCS for SB9 – Frit 803 processing at DWPF prior to SWPF startup, the applicability of the new durability models for the SB9 variability study glasses was verified. Since the initial SB9 qualification for ARP-MCU coupled operation, additional Tank 40 analyses have been completed, which served as the basis for an updated projection of the SB9 blend composition in Tank 40. To identify a frit optimized for SB9 coupled operation with SWPF, the Savannah River National Laboratory (SRNL) performed a paper-study by utilizing Measurement Acceptance Region (MAR) assessments with DWPF PCCS. Based on these MAR assessment results, Frit 625 was recommended for processing both single and double MST strike scenarios. Savannah River Remediation (SRR) requested that SRNL perform a variability study with both Frit 803 and Frit 625 for SB9 coupled operation with SWPF. The objective of the variability study is to demonstrate that the Product Consistency Test (PCT) responses of the glasses are acceptable relative to the chemical durability of the Environmental Assessment (EA) reference glass and predictable by the current DWPF PCCS models for durability. This report documents the development of a test matrix that will support the variability study. To provide operational flexibility prior to SWPF startup, the predictability of glasses within the glass region for Frit 625-SB9 coupled operation with ARP-MCU was also confirmed.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

Heavy flavour dynamics in event-by-event viscous hydrodynamic backgrounds

We investigate the effects of (2+1)d event-by-event fluctuating hydrodynamic backgrounds on the nuclear modification factor and momentum anisotropies of heavy-flavor mesons. Using the state-of-the-art D and B mesons modular simulation code (the so-called DAB-mod), updated recently with heavy-light quark coalescence, we perform a systematic comparison of different transport equations, including two energy loss models and a relativistic Langevin model with two drag parametrizations. We present the resulting D 0 meson R AA , v 2 and v 3 , using the multiparticle cumulant method, in Pb-Pb collisions at $\sqrt{s_{\rm NN}}=5.02$ and compare them to the latest experimental data. We investigate the $v_2\{4\}/v_2\{2\}$ ratio as a function of centrality for different initial conditions (MCKLN vs. Trento) and different system geometries and sizes (coming from Pb-Pb collisions at $\sqrt{s_{\rm NN}}=5.02$, spherical and prolate Xe-Xe collisions at $\sqrt{s_{\rm NN}}=5.44$ TeV).

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

The Athena++ Adaptive Mesh Refinement Framework: Design and Magnetohydrodynamic Solvers

The design and implementation of a new framework for adaptive mesh refinement calculations are described. It is intended primarily for applications in astrophysical fluid dynamics, but its flexible and modular design enables its use for a wide variety of physics. The framework works with both uniform and nonuniform grids in Cartesian and curvilinear coordinate systems. It adopts a dynamic execution model based on a simple design called a "task list" that improves parallel performance by overlapping communication and computation, simplifies the inclusion of a diverse range of physics, and even enables multiphysics models involving different physics in different regions of the calculation. We describe physics modules implemented in this framework for both nonrelativistic and relativistic magnetohydrodynamics (MHD). These modules adopt mature and robust algorithms originally developed for the Athena MHD code and incorporate new extensions: support for curvilinear coordinates, higher-order time integrators, more realistic physics such as a general equation of state, and diffusion terms that can be integrated with super-time-stepping algorithms. The modules show excellent performance and scaling, with well over 80% parallel efficiency on over half a million threads. The source code has been made publicly available.

79 ASTRONOMY AND ASTROPHYSICS↗

Modular biowaste monitoring system

The objective of the Modular Biowaste Monitoring System Program was to generate and evaluate hardware for supporting shuttle life science experimental and diagnostic programs. An initial conceptual design effort established requirements and defined an overall modular system for the collection, measurement, sampling and storage of urine and feces biowastes. This conceptual design effort was followed by the design, fabrication and performance evaluation of a flight prototype model urine collection, volume measurement and sampling capability. No operational or performance deficiencies were uncovered as a result of the performance evaluation tests.

Fogal, G. L.↗

Spacelab ground operations

The Spacelab modular design and its operational relationship with the Shuttle, the Spacelab payload, and the ground facilities dictate a particular approach to the ground turnaround in order to achieve the projected mission model. A certain portion of the Spacelab ground operational cycle will be almost totally dependent on the Shuttle turnaround functions. The remainder of the Spacelab ground operational cycle will be spent in the Operations and Checkout Building where the Spacelab-unique facilities and GSE are located. KSC, as the Spacelab operations center, will be responsible for continuing assessment of Spacelab hardware utilization, based on mission requirements and program hardware.

Dickinson, J. N.↗