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At least 397 records · Page 22

Evaluation of Nanostructured β-Mn 2 V 2 O 7 Thin Films as Photoanodes for Photoelectrochemical Water Oxidation

β-Mn 2 V 2 O 7 (β-MVO) was recently reported to be a promising candidate for photoelectrochemical (PEC) water splitting, with a suitable band gap and band edge positions and reasonable stability and photoactivity in preliminary tests in alkaline solution. Here, we present an in-depth evaluation of the PEC performance and stability of phase-pure nanostructured β-Mn 2 V 2 O 7 films made by calcination of a spin-cast molecular ink. We show that β-Mn 2 V 2 O 7 dissolves in pure water, corrodes in aqueous electrolytes at pH 7 and 9, and converts to amorphous manganese (hydr)oxides within minutes at pH 13. Our β-Mn 2 V 2 O 7 films yielded only miniscule photocurrents (~uA cm -2 ) for the oxidation of iodide, sulfite, or water and the reduction of iodate or water in borate- and phosphate-buffered electrolytes at pH 7 and 9, the oxidation of [Fe(CN) 6 ] 4- or water at pH 13, and the oxidation of bromide in acetonitrile, regardless of film calcination temperature and time, film thickness, and illumination geometry. Minimal photoactivity was observed even in electrolytes in which film degradation was insignificant over the duration of the PEC tests. Ultrafast transient absorption spectroscopy shows that the poor photoactivity is likely the result of fast hole trapping and recombination at the MVO surface that leaves few free charge carriers beyond the picosecond time scale. Given its poor charge transport/extraction and chemical stability, native nanostructured β-Mn 2 V 2 O 7 is ineffective for solar water splitting and future research on this material should focus on the development of superior syntheses and film morphologies, MVO alloys, heterostructures, and surface coatings to alleviate recombination and boost operational stability. This work underscores the importance of careful follow-up studies of materials identified as "hits" in combinatorial materials discovery campaigns.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Polymer connectivity governs electrophotocatalytic activity in the solid state

The reductive functionalization of inert substrates such as chloroarenes is a critical yet challenging transformation relevant to both environmental remediation and organic synthesis. Combining electricity and light is an emerging strategy to access the deeply reducing potentials required for single electron transfer to chloroarenes, yet this approach is limited by poor stability and mechanistic ambiguity. Here, in this work, we demonstrate heterogeneous electrophotocatalysis using redox-active rylene diimide polymers for the reduction of chloroarenes. We find that the electrophotocatalytic activity varies dramatically as a function of the rylene diimide and the redox-inactive polymer backbone. In particular, a flexible, non-conjugated perylenediimide polymer outperforms all other tested electrophotocatalysts. Transient absorption spectroscopy reveals that precomplexation between the doubly reduced perylenediimide and the haloarene substrate is key to productive catalysis. Overall, this work highlights heterogeneous electrophotocatalysis using insoluble redox-active organic materials and provides critical structure–property insights into solid-state electrophotocatalytic activity, informing the development of next-generation materials for sustainable synthesis.

electrocatalysis↗

Preliminary analysis of TREAT free-field experiments using openmc

This work analyses activation calculations for dosimetry materials during a steady-state irradiation in the Transient Reactor Test (TREAT) reactor core. Hence, we developed a workflow based on the Monte Carlo code OpenMC alongside a custom depletion solver. The irradiation-induced activity as a function of time is computed, and several sensitivity studies are performed to evaluate uncertainty. This study has shown activity computations are sensitive to flux amplitude, irradiation time, atoms quantity and microscopic cross sections. Stochastic uncertainties have been propagated to evaluate the activity uncertainty for each dosimetry material. Most uncertainties are below our target of 3%, which demonstrates OpenMC as a powerful predictive and analysis tool. The precise results obtained through this newly developed computation scheme will be used in future experiments to characterize quantities of interest when operating the TREAT reactor in new configurations.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Enhancements to the New TREAT Automatic Reactor Control System (ARCS)

The Transient Reactor Test (TREAT) facility recently replaced the automatic reactor control system (ARCS). Here, this paper discusses some of the enhancements that were made during the ARCS replacement such as calculations to take into account the nonadiabatic effects and increasing the dynamic range for power and period indication. This paper also discusses upgrades that had been planned but were unable to implemented and potential upgrades for the future.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Optimization and characterization of a silicon photomultiplier-based ZnS(Ag) proton recoil fast neutron detector for nuclear fuel performance monitoring at TREAT

The restart of the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory and consequent refurbishment of the Fuel Motion Monitoring System (FMMS), or Hodoscope, offers the opportunity to upgrade the detector system used for neutron imaging. Silicon photomultipliers (SiPMs) are a viable option for updating the Hodoscope to yield improved fuel monitoring capability. The Hodoscope uses ZnS(Ag) proton recoil scintillators (PRS) that provide good gamma-ray suppression and discrimination. Previous work showed that the Hamamatsu S13360-6075CS SiPM offers the best neutron detection and gamma-ray discrimination capability with the ZnS PRS. This work optimizes a SiPM-based detector and develops a PRS prototype for testing. Specifically, possible overvoltages for use are determined by confirming steady operation over extended measurement times. In addition, various SiPM-circuit implementations are tested to optimize the detector according to desired properties, and ultimately a PRS prototype is developed with modifiable components for versatile testing. Measurements of the neutron detection efficiency and gamma-ray rejection efficiency of SiPM-based PRS detectors and a reference PMT-based detector are also carried out. Neutron detection efficiency ranges between 1-2%, and detected gamma-ray rejection efficiency is on the order of 10 -7 . In conclusion, use of a low-pass filter only or a low-pass filter and 50-ω shunt resistor is recommended for the SiPM-based detector, and both configurations demonstrate improved performance over the PMT-based detector.

46 - INSTRUMENTATION RELATED TO NUCLEAR SCIENCE AN↗

Simulations of Brady's-Type Fault Undergoing CO2 Push-Pull: Pressure-Transient and Sensitivity Analysis

Input and output files used for fault characterization through numerical simulation using iTOUGH2. The synthetic data for the push period are generated by running a forward simulation (input parameters are provided in iTOUGH2 Brady GF6 Input Parameters.txt [InvExt6i.txt]). In general, the permeability of the fault gouge, damage zone, and matrix are assumed to be unknown. The input and output files are for the inversion scenario where only pressure transients are available at the monitoring well located 200 m above the injection well and only the fault gouge permeability is estimated. The input files are named InvExt6i, INPUT.tpl, FOFT.ins, CO2TAB, and the output files are InvExt6i.out, pest.fof, and pest.sav (names below are display names). The table graphic in the data files below summarizes the inversion results, and indicates the fault gouge permeability can be estimated even if imperfect guesses are used for matrix and damage zone permeabilities, and permeability anisotropy is not taken into account.

15 GEOTHERMAL ENERGY↗

FY13 Annual Report:APEEM Components Analysis and Evaluation

The objectives of this evaluation is to Support the evaluation of current and proposed electric machine and power electronics technologies in a vehicle context to understand the applicability of a particular powertrain technology to a given vehicle and to determine areas/regions for component design improvement based upon system usage patterns; and Enhance the current benchmarking and prototype evaluation capabilities of DOE APEEM programs with the addition of transient-capable testing facilities for power electronics and electric machinery components.

33 ADVANCED PROPULSION SYSTEMS↗

Evaluation of LANL Capabilities for Fabrication of TREAT Conversion Fuel

This report estimates costs and schedule associated with scale up and fabrication of a low-enriched uranium (LEU) core for the Transient Reactor Test Facility (TREAT) reactor. This study considers facilities available at Los Alamos National Laboratory, facility upgrades, equipment, installation and staffing costs. Not included are costs associated with raw materials and off-site shipping. These estimates are considered a rough of magnitude. At this time, no specifications for the LEU core have been made and the final schedule needed by the national program. The estimate range (+/-100%) reflects this large uncertainty and is subject to change as the project scope becomes more defined.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Neutronics Analyses of the Minimum Original HEU TREAT Core

This work was performed to support the feasibility study on the potential conversion of the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory from the use of high-enriched uranium (HEU) fuel to the use of low-enriched uranium (LEU) fuel. The analyses were performed by the GTRI Reactor Conversion staff at the Argonne National Laboratory (ANL). The objective of this study was to validate the MCNP model of the TREAT reactor with the well-documented measurements which were taken during the start-up and early operation of TREAT. Furthermore, the effect of carbon graphitization was also addressed. The graphitization level was assumed to be 100% (ANL/GTRI/TM-13/4). For this purpose, a set of experiments was chosen to validate the TREAT MCNP model, involving the approach to criticality procedure, in-core neutron flux measurements with foils, and isothermal temperature coefficient and temperature distribution measurements. The results of this study extended the knowledge base for the TREAT MCNP calculations and established the credibility of the MCNP model to be used in the core conversion feasibility analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NEAMS-Funded University Research in Support of TREAT Modeling and Simulation, FY15

This report summarizes university research activities performed in support of TREAT modeling and simulation research. It is a compilation of annual research reports from four universities: University of Florida, Texas A&M University, Massachusetts Institute of Technology and Oregon State University. The general research topics are, respectively, (1) 3-D time-dependent transport with TDKENO/KENO-VI, (2) implementation of the Improved Quasi-Static method in Rattlesnake/MOOSE for time-dependent radiation transport approximations, (3) improved treatment of neutron physics representations within TREAT using OpenMC, and (4) steady state modeling of the minimum critical core of the Transient Reactor Test Facility (TREAT).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Initial Assessment of X-Ray Computer Tomography image analysis for material defect microstructure

The original development work leading to this report was focused on the non destructive three-dimensional (3-D) characterization of nuclear graphite as a means to better understand the nature of the inherent pore structure. The pore structure of graphite and its evolution under various environmental factors such as irradiation, mechanical stress, and oxidation plays an important role in their observed properties and characteristics. If we are to transition from an empirical understanding of graphite behavior to a truly predictive mechanistic understanding the pore structure must be well characterized and understood. As the pore structure within nuclear graphite is highly interconnected and truly 3-D in nature, 3-D characterization techniques are critical. While 3-D characterization has been an excellent tool for graphite pore characterization, it is applicable to a broad number of materials systems over many length scales. Given the wide range of applications and the highly quantitative nature of the tool, it is quite surprising to discover how few materials researchers understand and how valuable of a tool 3-D image processing and analysis can be. Ultimately, this report is intended to encourage broader use of 3 D image processing and analysis in materials science and engineering applications, more specifically nuclear-related materials applications, by providing interested readers with enough familiarity to explore its vast potential in identifying microstructure changes. To encourage this broader use, the report is divided into two main sections. Section 2 provides an overview of some of the key principals and concepts needed to extract a wide variety of quantitative metrics from a 3-D representation of a material microstructure. The discussion includes a brief overview of segmentation methods, connective components, morphological operations, distance transforms, and skeletonization. Section 3 focuses on the application of concepts from Section 2 to relevant materials at Idaho National Laboratory. In this section, image analysis examples featuring nuclear graphite will be discussed in detail. Additionally, example analyses from Transient Reactor Test Facility low-enriched uranium conversion, Advanced Gas Reactor like compacts, and tristructural isotopic particles are shown to give a broader perspective of the applicability to relevant materials of interest.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

FY 2016 Status Report on the Modeling of the M8 Calibration Series using MAMMOTH

This report provides a summary of the progress made towards validating the multi-physics reactor analysis application MAMMOTH using data from measurements performed at the Transient Reactor Test facility, TREAT. The work completed consists of a series of comparisons of TREAT element types (standard and control rod assemblies) in small geometries as well as slotted mini-cores to reference Monte Carlo simulations to ascertain the accuracy of cross section preparation techniques. After the successful completion of these smaller problems, a full core model of the half slotted core used in the M8 Calibration series was assembled. Full core MAMMOTH simulations were compared to Serpent reference calculations to assess the cross section preparation process for this larger configuration. As part of the validation process the M8 Calibration series included a steady state wire irradiation experiment and coupling factors for the experiment region. The shape of the power distribution obtained from the MAMMOTH simulation shows excellent agreement with the experiment. Larger differences were encountered in the calculation of the coupling factors, but there is also great uncertainty on how the experimental values were obtained. Future work will focus on resolving some of these differences.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Software Requirements for a Point Kinetics Neutronics Code for Simulating TREAT Reactor Transients

This document provides the software requirements for a computer code to perform point kinetics-based simulations of nuclear reactor transients. These requirements address all aspects of code development and use, including input and output parameters and structure, software capabilities, and supporting documentation. This software is intended to replace the existing point kinetics code TREKIN, which is currently used for the analysis of the Transient Reactor Test Facility (TREAT).

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Investigations on the Thermal-hydraulic Behavior of Accident Tolerant Fuel Cladding Materials

Since the 2011 Fukushima accident, significant research has been devoted to developing accident-tolerant fuel (ATF) cladding materials. These investigations have mostly focused on the ability to resist runaway steam oxidation and retain mechanical strength and structural integrity under thermal shocks. However, much remains unknown about the materials’ thermal-hydraulic behavior, particularly under light-water reactor (LWR) operating conditions. Two phenomena that determine safety margins in both normal and off-normal operating conditions - i.e., the critical heat flux (CHF) and Leidenfrost point (LFP) temperature - have not been investigated thoroughly for ATF materials. Surface properties, such as wettability and roughness, are known to influence pool and flow boiling CHF, as well as the LFP temperature. However, little is known about the surface wettability of ATF materials, particularly at LWR pressure and temperature. Little has been done on flow-boiling CHF and quenching heat transfer, especially for droplet quenching. Nonetheless, it is known that CHF in transient conditions, e.g., an exponentially escalating power transient, can be significantly different from that expected in steady-state operation. Very few studies have investigated transient CHF, either on ATF materials or under LWR pressure and temperature. The thorough understanding of transient CHF under prototypical reactor conditions will benefit not only the deployment of ATF but also the upcoming national efforts to study transient ATF behavior in the Transient Reactor Test Facility (TREAT) at Idaho National Laboratory. In summary, as a part of ATF development efforts, there is an urgent need to understand how and how much these materials may affect two-phase heat transfer phenomena in nuclear reactor conditions.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Architecture Improvements and Retesting of the Microscopic Depletion Implementation in the MAMMOTH Reactor Physics Application

Nuclear fuel experiments conducted at the Transient Reactor Test Facility (TREAT) will be analyzed with the MAMMOTH reactor physics application, currently under development at Idaho National Laboratory. MAMMOTH natively couples with the BISON, RELAP-7, and Rattlesnake applications within the MOOSE framework. The implemented methods allow for simulating the irradiation of fuel in a nuclear reactor from the beginning of life in a nuclear reactor until it is placed in TREAT for fuel testing using the same finite element mesh throughout the analysis retaining a very high level of resolution and fidelity. The calculation of the isotopic distribution in fuel requires the solution to the decay and transmutation equations coupled to the neutron transport equation. This report focuses on three significant improvements to the MAMMOTH micro-depletion capability. First, the depletion architecture within MAMMOTH is modified to improve the flexibility and speed of burnup calculations. The results of various benchmark tests demonstrate that the refactoring of the previously implemented capability does not introduce any regression. The second improvement involves the expansion of the data functionality. MAMMOTH can now read the decay data files used by the Oak Ridge Isotope Generation (ORIGEN) code, thus enabling access to data of more than 1,600 isotopes. The third improvement is the capability to perform depletion at a constant power level which was verified via a comparison to ORIGEN.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗

Performance Improvements for the Griffin Transport Solvers

Griffin is a Multiphysics Object-Oriented Simulation Environment based reactor multiphysics analysis application jointly developed by Idaho National Laboratory and Argonne National Laboratory. Griffin includes a variety of deterministic radiation transport solvers for fixed source, k-eigenvalue, adjoint, and subcritical multiplication, as well as transient solvers for point-kinetics, improved quasi-static, and spatial dynamics. A code assessment performed in FY-20 identified two significant issues with the transport solvers in Griffin: first, the primary heterogeneous SN (discrete ordinates) transport solver based on continuous finite element methods required significant mesh refinement and higher memory usage compared to solvers based on the method of characteristic for equivalent accuracy. Second, the homogeneous PN (spherical harmonics expansion) transport solver did not adequately support polynomial refinement, which is a feature usually required for problems with spatial homogenization and pronounced streaming, typical in fast or gas-cooled reactor systems. To address the first issue, the development effort focused on the more promising discontinuous finite element method (DFEM)-based SN transport solver in Griffin. The addition of an asynchronous parallel transport sweeper and coarse mesh finite difference (CMFD) acceleration have rendered a superior heterogeneous SN transport capability for multiphysics problems that requires far less computing resources in terms of both CPU time and memory usage. This is demonstrated with typical thermal- and fast-spectrum reactor benchmark problems, including 2D Transient Reactor Test, 3D Advanced Burner Test Reactor (ABTR), and 2D and 3D Empire microreactor. For the second issue, the development effort focused on a new transport solver based on the hybrid finite element PN method (HFEM-PN), equivalent to the variational nodal method, as well as a new diffusion solver based on HFEM-Diffusion. This solver is intended for homogenized domains with multiphysics coupling (i.e., supports mesh displacement, seamless temperature feedback, etc.). Initial calculations with the HFEM-Diffusion implementation show very good parallel efficiency for the residual evaluations with the 2D ABTR benchmark. A future development effort will be centered on further improvements to the CMFD, HFEM-PN, and DFEM diffusion solvers to ensure Griffin meets performance and software quality assurance requirements for advanced reactor design and analysis.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Testing and Simulation of an Updated Cartridge Loop Vehicle

The Versatile Test Reactor (VTR) is a sodium-cooled, fast-spectrum test reactor that is being developed in the United States and will support a variety of irradiation test vehicle configurations, including cartridge loops. This work includes out-of-pile experimental results from a single-phase, natural circulation cartridge loop vehicle with geometry relevant to VTR irradiation sites, as well as comparisons between the experimental results and results predicted using the TRAC/RELAP Advanced Computational Engine (TRACE) modeling tool. The experiments were conducted in the thermosyphon test loop (TSTL) facility at Oak Ridge National Laboratory. Comparisons are also made between the current experimental data and results from natural circulation experiments previously conducted in the TSTL in a cartridge vehicle that is similar in design but has smaller flow areas. This cartridge vehicle and the experimental program were developed to add to the single-phase, natural circulation data collected in the previous iteration of the cartridge loop design, which supports future irradiation experiments and adds to a database that is useful for validating computer models. Comparisons of experimental results to TRACE model predictions is a pertinent step in validating the computational tool for supporting future irradiation experiment design and safety calculations, and comparisons to previous cartridge loop results highlight the impact of the design changes made to the test vehicle. The experiments conducted include several steady state tests and transients, including power ramp, loss of offsite power, and loss of external flow scenarios. This work shows that TRACE can accurately predict temperatures and flow conditions in the cartridge loop and the updated vehicle design achieves higher mass flow rates at the same steady state power levels.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗