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DOE OSTI2017

Improved Application of Local Models to Steel Corrosion in Lead-Bismuth Loops

The corrosion of steels exposed to flowing liquid metals is influenced by local and global conditions of flow systems. The present study improves the previous local models when applied to closed loops by incorporating some global condition effects. In particular the bulk corrosion product concentration is calculated based on balancing the dissolution and precipitation in the entire closed loop. Mass transfer expressions developed in aqueous medium and an analytical expression are tested in the liquid-metal environments. The improved model is applied to a pure lead loop and produces results closer to the experimental data than the previous local models do. The model is also applied to a lead-bismuth eutectic (LBE) test loop. Systematic studies illustrate the effects of the flow rate, the oxygen concentration in LBE, and the temperature profile on the corrosion rate.

36 MATERIALS SCIENCE↗

DOE OSTI2022

Sensitivity analyses of a homogeneous model and a RZ model of the MYRRHA reactor in its critical configuration

Two homogenized models of the MYRRHA (Multi-purpose hybrid Research Reactor for High-tech Applications) reactor in its critical configuration are presented in this study. Both models will be verified by comparing the main reactor parameters (K{sub eff}, β{sub eff} and Λ) with those of the heterogeneous model and a sensitivity analysis will be performed. A sensitivity analysis of some important parameters related to reactivity, namely the vacuum coefficient, the Doppler and the power peaking factors, is also presented. The study of the vacuum coefficient has been carried out by analyzing two possible scenarios: 50% vacuum in the coolant (lead bismuth eutectic) and 100%, obtaining a list of the 10 reactions and nuclides that most affect the k{sub eff} value. With respect to the Doppler coefficient, it will be seen that a 300 degree increase in fuel temperature (starting at 800 K) results in a reduction of the total reactivity of the system by 134 pcm.. Finally, the map of the power peaking factors will be shown, as well as a sensitivity analysis. For making the sensitivity calculations Serpent-2 reactor physics Monte Carlo code has been used and JEFF-3.3 library has been chosen in order to continue with the OECD/NEA WPEC SG46 work evaluating the nuclear data of this library. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Effect of thermal annealing on microstructure evolution and mechanical behavior of an additive manufactured AlSi10Mg part

The powder-bed laser additive manufacturing (AM) process is widely used in the fabrication of three-dimensional metallic parts with intricate structures, where kinetically controlled diffusion and microstructure ripening can be hindered by fast melting and rapid solidification. Therefore, the microstructure and physical properties of parts made by this process will be significantly different from their counterparts produced by conventional methods. This work investigates the microstructure evolution for an AM fabricated AlSi10Mg part from its nonequilibrium state toward equilibrium state. Special attention is placed on silicon dissolution, precipitate formation, collapsing of a divorced eutectic cellular structure, and microstructure ripening in the thermal annealing process. These events alter the size, morphology, length scale, and distribution of the beta silicon phase in the primary aluminum, and changes associated with elastic properties and microhardness are reported. In conclusion, the relationship between residual stress and silicon dissolution due to changes in lattice spacing is also investigated and discussed.

36 MATERIALS SCIENCE↗

DOE OSTI2021

Additive manufacturing of high-strength multiphase nanostructures in the binary Ni–Nb system for the discovery of new types of superalloys

Abstract Ni-based superalloys have been studied extensively due to their impressive mechanical properties, including strength and creep resistance at high temperatures. Growing interest surrounding additive manufacturing (AM) methods has led to recent investigations of alloys that are traditionally difficult to process, including Ni-based superalloys. Recent work has shown that AM methods enable high-throughput materials discovery and optimization of difficult- or impractical-to-process alloys, including those with high or even majority refractory element compositions. This work focuses on AM-enabled investigations of composition-dependent mechanical and microstructural properties for Ni–Nb binary alloys. Specifically, we report on the mechanical behavior of compositionally-graded Ni x Nb 1− x and uniform composition Ni 59.5 Nb 40.5 specimens made with AM. The AM fabrication process resulted in extraordinarily high strength, attributed to the formation of a dual-phase microstructure consisting of δ-Ni 3 Nb and µ-Ni 6 Nb 7 intermetallic compounds with nanostructured and multimodal grain size and eutectic lamellar spacing. Graphic Abstract

Jones, M. R.↗

DOE OSTI2017

Final report for SERDP WP-2209 Replacement melt-castable formulations for Composition B

During this project we investigated a number of energetic materials both old and new and determined that most of them were unsuitable due to safety or sensitivity reasons. Unsuccessful coformulants include TNAZ and BNFF for volatility reasons, and DAAF due to thermal compatibility issues. The powerful explosive HMX became a focus of the work in later stages as it conferred excellent power while being commonly available in well-regulated particle size lots and is chemically compatible in the melt with many coformulants. Ultimately three preferred formulations emerged from this work: a formulation tested on large scale by ARDEC involving PrNQ and HMX; a formulation tested at ARDEC and LANL using a nitrate salt eutectic and HMX; a formulation tested at LANL using LLM-201 and HMX.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2017

Modeling cookoff of HMX based PBX explosives

We have previously developed a PBX 9501 cookoff model for the plastic bonded explosive PBX 9501 consisting of 95 wt% octahydro-1,3,5,7-tetranitro-1,3,5,7-tetrazoncine (HMX), 2.5 wt% Estane® 5703 (a polyurethane thermoplastic), and 2.5 wt% of a nitroplasticizer (NP): BDNPA/F, a 50/50 wt% eutectic mixture bis(2,2-dinitropropyl)-acetal (BDNPA) and bis(2,2-dinitropropyl)-formal (BDNPF). This fivestep model includes desorption of water, decomposition of the NP to form NO 2 , reaction of the NO 2 with Estane and HMX, and decomposition of HMX [1]. This model has been successfully validated with data from six laboratories with scales ranging from 2 g to more than 2.5 kg of explosive. We have determined, that the PBX 9501 model can be used to predict cookoff of other plastic bonded explosives containing HMX and an inert binder, such as LX-04 consisting of 85 wt% HMX and 15 wt% Viton A (vinylidine fluoride/hexafluoropropylene copolymer), LX-07 (90 wt% HMX and 10 wt% Viton A), LX- 10-0 (95 wt% HMX and 5 wt% Viton A), and LX-14 consisting of 95.5 wt % HMX and 4.5 wt% Estane® 5702-F1 (a polyurethane thermoplastic). Normally our cookoff models are verified using Sandia’s Instrumented Thermal Initiation (SITI) experiment. However, SITI data for LX-04, LX-07, LX-10-0, and LX-14 are not available at pressed density; although, some molding powder SITI data on LX-10-0 and LX-14 exists. Tarver and Tran [2] provide some one-dimensional time-to-explosion (ODTX) data for these explosives. The applicability of the PBX 9501 model to LX-04, LX-07, LX-10-0, AND LX-14 was made using this ODTX data [2]. The PBX 9501 model is applied to these other explosives by accounting for the correct amount of HMX in the explosive and limiting the NP reaction. We have found the PBX 9501 model to be useful for predicting the response of these PBXs to abnormal thermal environments such as fire.

45 MILITARY TECHNOLOGY, WEAPONRY, AND NATIONAL DEF↗

DOE OSTI2017

Parametric and experimentally informed BWR Severe Accident Analysis Utilizing FeCrAl - M3FT-17OR020205041

Iron-chromium-aluminum (FeCrAl) alloys are being considered as advanced fuel cladding concepts with enhanced accident tolerance. At high temperatures, FeCrAl alloys have slower oxidation kinetics and higher strength compared with zirconium-based alloys. FeCrAl could be used for fuel cladding and spacer or mixing vane grids in light water reactors and/or as channel box material in boiling water reactors (BWRs). There is a need to assess the potential gains afforded by the FeCrAl accident-tolerant-fuel (ATF) concept over the existing zirconium-based materials employed today. To accurately assess the response of FeCrAl alloys under severe accident conditions, a number of FeCrAl properties and characteristics are required. These include thermophysical properties as well as burst characteristics, oxidation kinetics, possible eutectic interactions, and failure temperatures. These properties can vary among different FeCrAl alloys. Oak Ridge National Laboratory has pursued refined values for the oxidation kinetics of the B136Y FeCrAl alloy (Fe-13Cr-6Al wt %). This investigation included oxidation tests with varying heating rates and end-point temperatures in a steam environment. The rate constant for the low-temperature oxidation kinetics was found to be higher than that for the commercial APMT FeCrAl alloy (Fe-21Cr-5Al-3Mo wt %). Compared with APMT, a 5 times higher rate constant best predicted the entire dataset (root mean square deviation). Based on tests following heating rates comparable with those the cladding would experience during a station blackout, the transition to higher oxidation kinetics occurs at approximately 1,500°C. A parametric study varying the low-temperature FeCrAl oxidation kinetics was conducted for a BWR plant using FeCrAl fuel cladding and channel boxes using the MELCOR code. A range of station blackout severe accident scenarios were simulated for a BWR/4 reactor with Mark I containment. Increasing the FeCrAl low-temperature oxidation rate constant (3 times and 10 times that of the rate constant for APMT) had a negligible impact on the early stages of the accident and minor impacts on the accident progression after the first relocation of the fuel. At temperatures below 1,500°C, increasing the rate constant for APMT by a factor of 10 still resulted in only minor FeCrAl oxidation. In general, the gains afforded by the FeCrAl enhanced ATF concept with respect to accident sequence timing and combustible gas generation are consistent with previous efforts. Compared with the traditional Zircaloy-based cladding and channel box system, the FeCrAl concept could provide a few extra hours of time for operators to take mitigating actions and/or for evacuations to take place. A coolable core geometry is retained longer, enhancing the ability to stabilize an accident. For example, a station blackout was simulated in which cooling water injection was lost 36 hours after shutdown. The timing to first fuel relocation was delayed by approximately 5 h for the FeCrAl ATF concept compared with that of the traditional Zircaloy-based cladding and channel box system.

36 MATERIALS SCIENCE↗

DOE OSTI2018

Rare Earth Electrochemical Property Measurements and Phase Diagram Development in a Complex Molten Salt Mixture for Molten Salt Recycle

Pyroprocessing is a promising alternative for the reprocessing of used nuclear fuel (UNF) that uses electrochemical methods. Compared to the hydrometallurgical reprocessing method, pyroprocessing has many advantages such as reduced volume of radioactive waste, simple waste processing, ability to treat refractory material, and compatibility with fast reactor fuel recycle. The key steps of the process are the electro-refining of the spent metallic fuel in the LiCl-KCl eutectic salt, which can be integrated with an electrolytic reduction step for the reprocessing of spent oxide fuels.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2017

Advancing Coal Catalytic Gasification to Promote Optimum Syngas Production

An investigation was pursued to improve the use of low rank sub-bituminous coal by using suitable catalysts to advance gasification and create cleaner synthesis gas. Bench- and pilot-scale experiments were performed to measure key reactive properties and verify the use of red mud catalyst. The experiments provided reaction data for the development of kinetic models and validation data for CFD simulations. The reaction kinetics were analyzed to provide an understanding of the major pathways involved and identify the necessary reaction mechanisms needed for the computational models. The reaction kinetics model was implemented into the computational fluid dynamics (CFD) code MFiX to simulate, predict and validate the chemistry model with the experiments. It was shown that red mud as a catalyst lowered methane formation during coal gasification. Additional benefits were that red mud destroyed tars formation, promoted water gas shift reaction resulting in a syngas rich in hydrogen. In the presence of red mud catalyst, biomass feedstocks high in ash did not form clinker in the fluidized bed because it prevented the formation of eutectic mixtures. The reaction kinetics model was reasonably robust and the CFD predictions using the model were in good agreement with the experiments.

01 COAL, LIGNITE, AND PEAT↗

DOE OSTI2018

Phenomena Important in Liquid Metal Reactor Simulations

The U.S. Nuclear Regulatory Commission (NRC) is preparing for the future licensing of advanced reactors that will be very different from current light water reactors. Part of the NRC preparation strategy is to identify the simulation tools that will be used for confirmatory safety analysis which includes normal operation and abnormal conditions. This report advances that strategy for reactors with a fast neutron spectrum that use liquid metal coolants. This includes reactors using sodium, lead, or a lead-bismuth eutectic. Although all types are discussed in this report, the emphasis is on simulating sodium-cooled reactors as more information is available on those designs. The specific designs discussed in the report are a subset of many deigns being considered in the U.S. and elsewhere but they are considered the most likely to submit information to the NRC in the near future. The objective herein is to identify the dominant physical phenomena and modeling requirements expected for the simulation of liquid metal fast spectrum reactors. Phenomena are discussed in terms of normal and transient/accident conditions, and the corresponding modeling tools for neutronics, heat transfer, and fluid dynamics. The study makes use of the experience with such concepts, for example, from the Experimental Breeder Reactor (EBR-II) that ran for almost 30 years at Idaho National Laboratory; from recent conceptual design studies such as for the PRISM concept; and from similar technology-gap studies carried out recently for the Department of Energy. Lists of important phenomena were generated for normal operation and transients/accidents that will need to be simulated. These lists can be used by a panel of experts as the starting point for generating a phenomena identification and ranking table (PIRT). The PIRT exercise would determine what research and development may be required before the necessary simulation tools are available.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

DOE OSTI2018

Design and Thermal Analysis for Irradiation of Silicon Carbide Joint Specimens in the High Flux Isotope Reactor

This report provides a summary of the irradiation vehicle design and thermal analysis of SiC joint specimens planned for irradiation in the flux trap of the High Flux Isotope Reactor (HFIR). Two different capsule designs will be used to accommodate the two different specimen geometries: a small torsion joint specimen geometry to measure mechanical and thermal properties, and a tube and end plug joint representative cladding geometry to demonstrate strength and hermeticity retention. The capsule designs, with target temperatures of 350° and 750°C, will accommodate either sixteen torsion joint specimens or one tube end plug joint specimen. Three joint variations will be studied in each capsule design: a hybrid SiC (preceramic polymer with chemical vapor deposition (CVD) SiC), a transient eutectic phase (TEP) process, and an oxide process.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

DOE OSTI2018

Design and analysis of oxidation tests to inform FeCrAl ATF severe accident models

36 MATERIALS SCIENCE↗

DOE OSTI2019

Thermal Energy Storage for Dispatchable Geothermal Power

Dispatchable generation refers to sources of electricity that can be turned on or off, or can adjust their power output accordingly to an order. Geothermal plants are usually used for base-load power rather than dispatchable power. Flexibility is a challenge for a geothermal plant because the heat source does not naturally respond quickly to changes in demand. The current state-of-the-art approach to address this challenge is to maintain the geothermal fluid flows at relatively steady rates while providing a bypass around the generation equipment as needed. Under part load, some of the geothermal fluid is pumped to the surface, bypasses the generation equipment, and is re-injected to the ground without extracting any useful enthalpy. This approach is robust but necessarily incurs high parasitic power draws at part load due to the constant, full-flow pumping power requirements. There are even more challenges and unknowns for steam and flash geothermal plants, which were the focus for this project. As a process improvement to this existing configuration of a dispatchable geothermal plant, we examined the use of a phase-change thermal-energy storage (TES) unit that will provide some “inertia” against temperature fluctuations. The TES phase change material (PCM) could be in the form of eutectic molten nitrate salts, organic sugar alcohols, or the like based on the required temperature. This configuration allowed the power plant to meet the ramp rate requirements while allowing the geothermal resource to drawn down at the duty-cycle-averaged extraction rate rather than the full-rated-output extraction rate. The project team performed an experimental and computational evaluation of a peak shaving technical approach that used thermal storage to switch between two nominal operating points: full rated power and 50% power. In the initial requirements definition phase, the team decided to examine the PCM/TES-enhanced geothermal plant in the context of a 40-MW two-stage flash plant operating in mid-Southern California. Steady-state process simulations were used to understand the equipment sizing and the energetics. Dynamic process simulations were used to understand the response rate of the system to changes in requested power output from the utility. The technical approach was also guided by a techno-economic analysis (TEA) and a high-level analysis of the reservoir. Recognizing that performance of the thermal storage was a key risk element, high-fidelity finite-element simulations of the PCM-TES heat exchanger were performed to better understand its performance and temporal response. These simulations were validated with a subscale PCM-TES experimental apparatus that mimicked the geometry of the full-scale system. The key outcomes of this Phase I project were that: 1) the PCM-TES heat exchanger met the target for gravimetric energy storage density, 2) the dispatchable geothermal plant met its target for response rate, 3) the peak shaving approach reduces the number of production wells and does not disturb the wellfield, and 4) the incentives for properly remunerating dispatchable operation were identified.

15 GEOTHERMAL ENERGY↗

DOE OSTI2018

Identification of Potential Waste Processing and Waste Form Options for Molten Salt Reactors

The overall summary of the waste management envelope discussed in this report is represented by the diagram shown in Figure S1. The streams that are included in this discussion include the following from reactor systems in which chlorine-based salts with and without processing and fluorine-based salts with and without processing are being considered: 1) Off-gas streams (e.g., particulates, aerosols, reactive gases, 3 H, water, residual halides, N 2 , O 2 , noble gases); 2) Salt waste streams (e.g., chloride- or fluoride-based); 3) Separated salt streams (e.g., 7 Li recycle, 37 Cl recycle, eutectic salts, fission products); 4) Metal waste streams (e.g., reactor components, plenums); 5) Carbon waste streams (e.g., graphite, SiC); 6) Decommissioning and decontaminating (D&D) waste streams; 7) Operating waste streams

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗

DOE OSTI2020

Niowave Power Converter Modeling and Testing

Niowave has designed, built and is now using in-beam a low power (up to 10 kW) lead bismuth eutectic (LBE) converter. In this concept, an electron beam is passed through a falling layer of LBE, converting the electron to neutrons which then pass into a vessel which is functionally a subcritical reactor configuration. A detailed report has been written by Niowave, entitled “LBE Neutron Converter Manual.” The LANL contribution has been modeling, followed by a flow visualization model made in quartz. The LANL contribution is reported herein.

43 PARTICLE ACCELERATORS↗

DOE OSTI2020

High operating temperature heat transfer fluids for solar thermal power generation. Final report

This is the final technical report for the DOE MURI project on developing high-operating temperature heat transfer fluids for solar thermal power generation. This project aimed to evaluate liquid metals as a heat-transport fluid and potential energy storage medium for concentrated solar powered (CSP) systems. The project consisted of five phases, starting with fluid selection and screen and ending with potential CSP integration. The initial fluid selection arrived at heavy liquid metals as candidate fluids such as lead bismuth eutectic (LBE) as the prime liquid-alloy candidate to be studied, given the conditions above. Fifty-seven liquid compositions were initially identified with liquidus temperatures lower than 200°C, composed of elements that provide no driving force to the reduction of Cr 2 O 3 or Al 2 O 3 passivation layers in pipe material which is required for corrosion prevention. LBE was identified as the primary candidate fluid after these compositions were compared against computational thermodynamic modeling to screen all of the selected systems that would be compatible with our design objectives. Twenty-eight of these compositions were also investigated with the rapid characterization methods; the accuracies of the liquidus temperature and the specific heats predicted by the computations were better than 3 percent and 9 percent, respectively. We conducted numerus corrosion tests of various Fe-Cr-Al based steels in LBE and its variants at temperate as high as 800°C. It was found that minor additions to the liquid did not provide sufficient corrosion protection to warrant their use in real applications. Furthermore, we investigated the detailed mechanism of corrosion between heavy liquid metal and the pipe material at these very high temperatures. A liquid metal loop was constructed to operate at these high temperatures. The loop construction and operation lead to valuable lessons learned that will be needed for industrial scale loops. Furthermore, we learned that electromagnetic pumps at these extreme temperatures will have to be reengineered and redesigned to be used for CSP applications.

14 SOLAR ENERGY↗

DOE OSTI2020

Thermochemical Property Measurements of FLiNaK and FLiBe in FY 2020

The technical bases and methods developed at Argonne to measure thermochemical properties of molten salt mixtures are summarized and results provided to show the precision achieved. These methods include measurements of phase transition temperatures and heat capacity at temperatures to approximately 700 °C for eutectic mixture of 46.5-11.5-42.0 mol% LiF-NaF-KF (FLiNAK) and 67-33 mol% LiF-BeF 2 (FLiBe). Details of procedures, calibrations and operation of instruments are discussed and results are compared with values available in the literature. Additional discussions address the sources of error and estimated uncertainties in the reported values.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

DOE OSTI2021

Development of High Bs Fe-Ni Based Metal Amorphous Nanocomposite by Optimization of Glass Forming Ability

A growing interest in electric vehicles challenges soft magnetic materials to improve efficiency and power density. Metal amorphous nanocomposites (MANCs) have lower coercivities and eddy current losses, allowing for greater efficiency and higher switching frequency. The later allows for high motor speeds and improved power density. However, commercially available and laboratory demonstrated MANCs have shortcomings. Fe-based MANCs, such as FINEMET have excellent magnetic properties, but mechanical properties limit their application in high speed electric motors (HSMs). Fe-Co based MANCs, such as HITPERM, have high saturation inductions and good mechanical properties, but elevated magnetostrictive losses. Co-based MANCs and more recent Fe-Ni based MANCs have low losses and good mechanical properties, but lower saturation inductions (1-1.2 T), that limit power density in HSMs. Recently, much work has explored improving saturation induction in MANCs by increasing the content of magnetic elements, which comes at the cost of glass-forming ability (GFA). These efforts where generally limited to trial and error testing. Additionally, all work to date has focused on Fe-based alloys. In this work, a method of using Thermocalc simulation to locate near-eutectic compositions has been applied to Fe-Ni based alloys. Minima in liquidus temperature and solidification range were found for a ternary composition range and used to identify compositions that retain good GFA as the percentage of magnetic elements is increased. The (Fe 70 Ni 30 ) x (B-Si-Nb) 100-x alloy system for x=82% and x=85% was explored by Thermocalc simulations. This is an increase in magnetic element content compared to previously developed x=80% alloys. 3 compositions in the x=82% system, and 1 alloy in the x=85% system where identified and successfully cast as amorphous ribbon. The amorphous nature of the ribbon was confirmed by a bend test and XRD. Magnetic testing was performed by PPMS to measure saturation induction and Curie temperature of the amorphous material. The Curie temperatures increased to 407-438 °C for the x=82% alloys, and 462 °C for the x=85% alloy. Saturation induction increased to 1.28-1.36 T for the x=82% alloy and 1.48 T for the x=85% alloy, which is a significant improvement over the ~370 °C Curie temperature and 1.2 T saturation of previous Fe-Ni alloy. Crystallization behavior was studied by XRD for the x=85% alloy, showing that crystallization process follows a 2-step process of Amorphous → BCC+FCC+Amorphous → BCC+FCC+Fe 3 B+Fe 23 B 6 . Post annealing magnetic properties were studied by strip testing, and saturation induction as high as 1.48 T was seen after optimal annealing. TEM was used to study structure of as cast and annealed material. 2 alloys with x=82% compositions were identified with an optimal crystalline size of 10-20 nm, while the x=85% alloy had this structure in the as cast state. This opens the possibility of using the alloy in the as cast state, without requiring annealing. In conclusion, alloys with good GFA and improved magnetic properties were identified by Thermocalc simulation.

Krimer, Yuval↗