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At least 847 records · Page 47

The C 5 chemistry preceding the formation of polycyclic aromatic hydrocarbons in a premixed 1-pentene flame

We report the formation of small polycyclic aromatic hydrocarbons (PAHs) and their precursors can be strongly affected by reactions of C5 species. For improving existing combustion mechanisms for small PAH formation, it is therefore valuable to understand the fuel-specific chemistry of C5 fuels. To this end, we provide quantitative isomer-resolved species profiles measured in a laminar premixed ( Φ = 1.8) low-pressure (4 kPa) flame of 1-pentene with photoionization molecular-beam mass spectrometry (PI-MBMS) using tunable synchrotron vacuum-ultraviolet (VUV) radiation. These experimental results are accompanied with numerical simulations, starting from models from the literature by Wang et al. [JetSurF version 2.0 (2010)] and Healy et al. [Energy Fuels 24 (2010) 1521–1528] that were developed for different fuels, but which include 1-pentene as an intermediate, and by Narayanaswamy et al. [Combust. Flame 157 (2010) 1879–1898] focusing on the small PAH chemistry. Taking observed discrepancies between experimental results and simulations into consideration, a mechanism for C 5 chemistry was newly developed including PAH formation pathways, and its performance analyzed in detail. Special emphasis was placed on the initial fuel consumption of 1-pentene as well as on formation pathways of small aromatics. The mechanisms show differences regarding fuel decomposition and hydrocarbon growth reactions. These contribute to noticeable differences between the simulations with different models on one hand, and deviations between model predictions and experimental results on the other. While the new model presents overall satisfactory capabilities to predict the mole fraction profiles of common combustion intermediates, the predictive capability of the literature models was not fully satisfying for some intermediate species, including C 4 H 6 , C 7 H 8 , and C 10 H 8 . Lastly, the results indicate that the fuel-specific C 5 reaction routes as well as the mechanism for small PAH formation need further investigation.

1-PenteneAlkene combustion↗

Development of a Microchannel High Temperature Recuperator for Fuel Cell Systems

This report summarizes the progress made in development of microchannel recuperators for high temperature fuel cell/turbine hybrid systems for generation of clean power at very high efficiencies. Both Solid Oxide Fuel Cell/Turbine (SOFC/T) and Direct FuelCell/Turbine (DFC/T) systems employ an indirectly heated Turbine Generator to supplement fuel cell generated power. The concept extends the high efficiency of the fuel cell by utilizing the fuel cell’s byproduct heat in a Brayton cycle. Features of the SOFC/T and DFC/T systems include: electrical efficiencies of up to 65% on natural gas, minimal emissions, reduced carbon dioxide release to the environment, simplicity in design, and potential cost competitiveness with existing combined cycle power plants. Project work consisted of candidate material selection from FuelCell Energy (FCE) and Pacific Northwest National Laboratory (PNNL) institutional databases as well as from industrial and academic literature. Candidate materials were then downselected and actual samples were tested under representative environmental conditions resulting in further downselection. A microchannel thermal-mechanical model was developed to calculate overall device cost to be later used in developing a final Tier 1 material candidate list. Specifications and operating conditions were developed for both SOFC/T and DFC/T systems. This development included system conceptualization and progression to process flow diagrams (PFD’s) including all major equipment. Material and energy balances were then developed for the two types of systems which were then used for extensive sensitivity studies that used high temperature recuperator (HTR) design parameters (e.g., operating temperature) as inputs and calculated overall system parameters (e.g., system efficiency). The results of the sensitivity studies determined the final HTR design temperatures, pressure drops, and gas compositions. The results also established operating conditions and specifications for all equipment in the SOFC/T and DFC/T systems. Capital cost and Cost of Electricity (COE) sensitivity analyses have been completed for MW-scale SOFC/T and DFC/T systems. Environmental testing consisted of 1000-hour and 2000-hour dry air oxidation testing on leading candidate materials, used to rank order and, in part, develop a final Tier 1 material candidate list. A thermal-mechanical model was subsequently used to provide material and manufacturing cost estimations for microchannel HTR’s to further refine the Tier 1 candidates. A capital cost and 20-year levelized cost of electricity (COE) was developed for a MW-scale version of the SOFC/T system concept as well as for a MW-scale version of the DFC/T system concept. Test frameworks were established for subsequent long-term materials stability testing, including oxidation resistance and mechanical strength. Mechanical strength testing was then carried out by a third-party test laboratory. Technology demonstration vehicles (TDV’s) were designed and fabricated. Several iterations of TDV’s were fabricated, each improved over the previous build as far as fabrication techniques. Two of three fabricated TDV’s were integrated with the TDV Test Facility for hot-testing at simulated operating conditions. The second of these two was successfully hot-tested for over 1000 hours at simulated temperature and pressure. Post-test leakdown assessment showed negligible leakage at benchtop conditions of 30 psig, a considerable improvement over the previous TDV’s.

30 DIRECT ENERGY CONVERSION↗

Development of a thermodynamic database for a new fuel alloy design

The scope of the FY17 milestone involved the development of a thermodynamic database for the Mo-Ti-Zr ternary system to support the design of new pseudo-binary actinide-M fuel alloy, where M is a ternary metallic additive composed of Mo, Ti and Zr. Optimization of thermodynamic parameters for the three binary subsystems, Mo-Zr, Mo-Ti and Zr-Ti, has been performed using the CALPHAD (CALculation of PHAse Diagrams) approach with inputs from both experiments gathered from the literature and density functional theory (DFT) total energy calculations performed in this work. Using the present database, the stability range of the bcc phase in the Mo-Ti-Zr ternary system is predicted and the results are in very good agreement with available experimental data at 600°C and 750°C. The present work can directly contribute to the future development of a multicomponent thermodynamic database for the quaternary U-Mo-Ti-Zr system.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Thermal-hydraulic and Fuel Performance Scoping Studies of a Flowing Water Capsule in TREAT

The restart of the Transient Reactor Test (TREAT) facility has provided a much needed capability for integral transient testing of nuclear fuel. This testing is necessary to qualify new fuel concepts such as those developed under the Accident Tolerant Fuel (ATF) program, increasing the burnup limit of light water reactor (LWR) fuels, or a variety of other programs under the Advanced Fuels Campaign (AFC). The ATF campaign has been the main driver behind the development and implementation of a variety of capsules for TREAT experiments. The Separate-Effect Test Holder (SETH) was a dry capsule that enabled testing of ATF concepts under reactivity-initiated accident (RIA) heating conditions. Following SETH, the Static Environment Rodlet Transient Test Apparatus (SERTTA) was developed to enable RIA testing in a static water environment. In efforts to support the need for future Loss-of-Coolant Accident (LOCA) tests, the Transient Water Irradiation System for TREAT (TWIST) capsule has been developed that allows for water to drain from around the fuel rod and lower the pressure to simulate LOCA conditions. All these capsules that have been developed for LWR fuel testing all lack the capability for forced convective cooling which in some applications may limit their ability to test under prototypic conditions. A design and modeling effort has been started to modify the TWIST capsule by adding a flow tube and impeller that can create flowing coolant conditions for the fuel rod. RELAP5-3D and BISON models are being used to study the differences between RIA, LOCA, Anticipated Operational Occurrences (AOO), LWR power cycling, and other transient scenarios under flowing conditions capable in the flowing capsule and the current stagnant water capsules (SERTTA and TWIST). The scoping study will provide guidance on the needed capabilities for the flowing capsule and the limitations of the currently developed capsule for LWR testing in TREAT.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Experience curve development and cost reduction disaggregation for fuel cell markets in Japan and the US

Technology learning rates can be dynamic quantities as a technology moves from early development to piloting and from low volume manufacturing to high volume manufacturing. This work describes a generalizable technology analysis approach for disaggregating observed technology cost reductions and presents results of this approach for one specific case study (micro-combined heat and power fuel cell systems in Japan). We build upon earlier reports that combine discussion of fuel cell experience curves and qualitative discussion of cost components by providing greater detail on the contributing mechanisms to observed cost reductions, which were not quantified in earlier reports. Greater standardization is added to the analysis approach, which can be applied to other technologies. This paper thus provides a key linkage that has been missing from earlier literature on energy-related technologies by integrating the output of earlier manufacturing cost studies with observed learning rates to quantitatively estimate the different components of cost reduction including economies of scale and cost reductions due to product performance and product design improvements. This work also provides updated fuel cell technology price versus volume trends from the California Self-Generation Incentive Program, including extensive data for solid-oxide fuel cells (SOFC) reported here for the first time. The Japanese micro-CHP market is found to have a learning rate of 18% from 2005 to 2015, while larger SOFC fuel cell systems (200 kW and above) in the California market are found to have a flat (near-zero) learning rate, and these are attributed to a combination of exogenous, market, and policy factors.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Enhancement of the inherent self-protection of the fast sodium reactor cores with oxide fuel

With the development and research into the generation IV fast sodium reactors, great attention is paid to the enhancement of the core inherent self-protection characteristics. One of the problems dealt here is connected with the reduction of the reactivity margin so that the control rods running should not result in the core overheating and melting. In this paper we consider the possibilities of improving the core of BN-1200 with oxide fuel by a known method of introducing an axial fertile layer into the core. But unlike earlier studies this paper looks at the possibility of using such a layer not only for improving breeding, but also for reducing sodium void reactivity effect (SVRE). This proposed improvement of the BN-1200 core does not solve the problem of strong interference in control and protection system (CPS) rods of BN-1200, but they reduce significantly the reactivity margin for burn-up compensation. This helps compensate all the reactivity balances in the improved core configurations without violating constraints on SVRE value.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Understanding Water and Thermal Management in Polymer-Electrolyte Fuel Cells

The Parties developed understanding of water and thermal management in fuel cells using a detailed 1-D model for the through-plane direction, a gas-channel relation model for the flow-channel direction, and a method to account for the rib/channel direction. The model simulates and predicts the water transport phenomena occurring within the fuel-cell sandwich, including the complex interplay among the various phases. This model enables optimum designs, operating conditions, and material properties for use in commercial PEFCs for automotive applications. In addition, novel advanced diagnostic methods and submodels were developed to determine the critical properties and model parameters and explore specific phenomena (e.g., ionomer thin films).

30 DIRECT ENERGY CONVERSION↗

Assessment of Corrosion Resistance of Candidate Alloys for Accident Tolerant Fuel Cladding under Reactor Conditions

The development of accident tolerant fuels (ATF) is aimed at avoiding the situation that occurred at Fukushima in 2011 where overheated Zr-based alloy cladding reacted with water to produce explosive H2 gas. While the objective of DOE’s ATF program is to identify fuel that is more tolerant in severe accident conditions, the fuel must first be able to function adequately under normal operating conditions. The purpose of these experiments is to quickly explore the corrosion behavior of several ATF candidate alloys under normal LWR operating conditions consisting of high temperature, relevant water chemistry and irradiation.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Data-driven fuel consumption estimation: A multivariate adaptive regression spline approach

Providing guidance and information to drivers to help them make fuel-efficient route choices remains an important and effective strategy in the near term to reduce fuel consumption from the transportation sector. One key component in implementing this strategy is a fuel-consumption estimation model. In this paper, we developed a mesoscopic fuel consumption estimation model that can be implemented into an eco-routing system. Our proposed model presents a framework that utilizes large-scale, real-world driving data, clusters road links by free-flow speed and fits one statistical model for each of cluster. This model includes predicting variables that were rarely or never considered before, such as free-flow speed and number of lanes. We applied the model to a real-world driving data set based on a global positioning system travel survey in the Philadelphia-Camden-Trenton metropolitan area. Results from the statistical analyses indicate that the independent variables we chose influence the fuel consumption rates of vehicles. But the magnitude and direction of the influences are dependent on the type of road links, specifically free-flow speeds of links. Here, a statistical diagnostic is conducted to ensure the validity of the models and results. Although the real-world driving data we used to develop statistical relationships are specific to one region, the framework we developed can be easily adjusted and used to explore the fuel consumption relationship in other regions.

30 DIRECT ENERGY CONVERSION↗

Application of Framework for Integrating Safety, Security and Safeguards (3Ss) into the Design Of Used Nuclear Fuel Storage Facility

Department of Energy’s Office of Nuclear Energy, Fuel Cycle Research and Development develops options to the current commercial fuel cycle management strategy to enable the safe, secure, economic, and sustainable expansion of nuclear energy while minimizing proliferation risks by conducting research and development focused on used nuclear fuel recycling and waste management to meet U.S. needs. Used nuclear fuel is currently stored onsite in either wet pools or in dry storage systems, with disposal envisioned in interim storage facility and, ultimately, in a deep-mined geologic repository. The safe management and disposition of used nuclear fuel and/or nuclear waste is a fundamental aspect of any nuclear fuel cycle. Integrating safety, security, and safeguards (3Ss) fully in the early stages of the design process for a new nuclear facility has the potential to effectively minimize safety, proliferation, and security risks. The 3Ss integration framework could become the new national and international norm and the standard process for designing future nuclear facilities. The purpose of this report is to develop a framework for integrating the safety, security and safeguards concept into the design of Used Nuclear Fuel Storage Facility (UNFSF). The primary focus is on integration of safeguards and security into the UNFSF based on the existing Nuclear Regulatory Commission (NRC) approach to addressing the safety/security interface (10 CFR 73.58 and Regulatory Guide 5.73) for nuclear power plants. The methodology used for adaptation of the NRC safety/security interface will be used as the basis for development of the safeguards /security interface and later will be used as the basis for development of safety and safeguards interface. Then this will complete the integration cycle of safety, security, and safeguards. The overall methodology for integration of 3Ss will be proposed, but only the integration of safeguards and security will be applied to the design of the UNFSF. The framework for integration of safeguards and security into the UNFSF will include 1) identification of applicable regulatory requirements, 2) selection of a common system that share dual safeguard and security functions, 3) development of functional design criteria and design requirements for the selected system, 4) identification and integration of the dual safeguards and security design requirements, and 5) assessment of the integration and potential benefit.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Impact of fission product inclusion on phase development in U 3 Si 2 fuel

Due to its high thermal conductivity and uranium density, U 3 S i2 has been considered as a candidate for use as an accident tolerant fuel (ATF). In order to fully assess its suitability and performance as a fuel, the impact of fission products (FPs) on the stability and performance of U 3 Si 2 must be investigated. The interactions of FPs and U 3 Si 2 have had relatively little study until now and require experimental and computational examination. U 3 Si 2 was doped with individual FPs to explore U-Si-FP interactions and phase equilibria that may impact the performance of the ATF during irradiation. Elemental Ce, Mo, Y, or Zr were used to individually dope U 3 Si 2 at a concentration of 5 wt% FP. A diffusion couple of a 1:1 Mo:Zr alloy and U 3 Si 2 was heated to 1200 °C in order to consider the impacts of multiple FPs on the stability and structure of the fuel. Samples were characterized for FP solubility and secondary phase formation using electron microscopy, energy dispersive spectroscopy, and x-ray diffraction. First principles density functional theory calculations complemented the experimental effort to understand FP behavior. Experimental and computational findings were used in the development of a thermodynamic database containing 8 major FPs and their associated silicide phases. Finally, fuel compositions generated from depletion calculations were used to thermodynamically model the equilibrium phases of the fuel undergoing burnup.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Transition Core Planning and Safety Analyses in Support of LEU Fuel Conversion of the University of Missouri Research Reactor (MURR)

The University of Missouri Research Reactor (MURR®) is one of six U.S. High Performance Research Reactors (USHPRR), including one critical facility, that is working with the National Nuclear Security Administration (NNSA) Office of Material Management and Minimization (M3) Reactor Conversion Program to convert from highly enriched uranium (HEU) to low-enriched uranium (LEU) fuel. The M3 Reactor Conversion USHPRR Project objectives include the development of LEU fuel element designs that will ensure safe reactor operations and to maintain the existing experimental performance of each facility. The work is being conducted through many inter-related activities being completed by four Project Pillars: Fuel Qualification (FQ), Fuel Fabrication (FF), Reactor Conversion (RC), and Cross Cutting (CC). A new type of LEU fuel based on an alloy of uranium-10 wt% molybdenum (U-10Mo) is expected to allow the conversion of those USHPRR, like MURR, requiring higher density fuels. The very-high-density LEU U-10Mo monolithic fuel is currently undergoing irradiation testing and post-irradiation examination under a planned and documented fuel qualification effort. The FQ Pillar will document fuel property and fuel performance data and qualify the fuel for use in these reactors. The FF Pillar is fabricating fuel for ongoing and future irradiation tests, as well as conducting fabrication demonstrations to validate or update preliminary fabrication assumptions. The FF Pillar is also working to develop and install commercial manufacturing capacity with the U-10Mo monolithic fuel to produce prototypic fuel. Working with the RC Pillar at Argonne, MURR has progressed through a preliminary fuel element design using preliminary data for the proposed monolithic alloy of U-10Mo. Analyses were completed in previous work that found for typical equilibrium operations with the preliminary LEU fuel element design, in conjunction with a power uprate to 12 MW and appropriate changes to the MURR Limiting safety system settings (LSSS), MURR will have adequate margins to safety for steady-state operations and postulated transient accidents and will have experimental performance in key locations that meets or exceeds current operations with HEU fuel. The purpose of this work is to develop a sequence of transition cycles that will enable MURR to transition from operation with the reactor core loaded with fresh LEU fuel elements only to typical equilibrium operations with mixed-burnup cores following conversion while meeting operational requirements on safety and experimental performance. It is expected that the use of fresh LEU fuel at conversion and subsequent low burnup of the LEU fuel elements that will initially be available for use following conversion will result in critical control blade positions that will substantially change the axial power distribution in the core and the neutron flux available in key experimental locations relative to equilibrium LEU operations. Given the constraints of MURR safety margins, operational practices, and production and research, a novel method has been developed to identify a transition sequence that minimizes the time MURR operates atypically compared to the current prototypic cycles using HEU fuel. The proposed transition sequence moves quickly to the same sort of equilibrium cycles for the LEU fuel that have already been evaluated in documented preliminary safety analyses. Although shifting the neutron flux peak to the lower half of the core during initial cycles with LEU at 12 MW reduces the experiment performance in some key locations relative to current HEU operations at 10 MW, all LEU cores provide an average performance that meets or exceeds that of HEU. An LEU cycle is reached that meets or exceeds the level of experimental performance predicted for current HEU and equilibrium LEU operations in more than 450 key locations identified by a reactor specialist at MURR by the 23rd cycle following conversion and that afterwards will enable MURR to consistently meet its experimental performance requirements. The proposed transition sequence only requires the fabrication of 34 fresh LEU elements in the first year of operation and does not exceed the anticipated availability of fresh elements that can be produced by the fuel fabricator. By the third year after conversion, 22 fresh LEU elements will be required each year, which is the same as expected for equilibrium LEU operations and the same as current operations with HEU fuel. The proposed transition sequence thus combines a relatively short time period before equilibrium burnup is achieved, a temporary increase of fuel elements needed annually relative to typical operations that are within the production capabilities of the fuel fabricator, and demonstrates comparable experimental performance of the LEU cores relative to current HEU operations. Further measures may be taken to reduce any initial experimental performance penalty even further, where possible, by repositioning certain experiments to leverage the increased performance in the lower axial experimental positions in the initial cycles following conversion or leaving the experiments in the irradiation facilities longer in order to achieve the required neutron fluence. This analysis may require refinement depending on the experimental facilities in use at the time of conversion. Nonetheless, the results presented here, including the experimental performance, core burnup, and critical control blade positions throughout the transition cycles, show that the proposed transition cycle fuel management patterns are consistent with what is expected and desired for MURR operation with LEU U-10Mo fuel. Detailed core power distributions from the neutronics models were also used to evaluate safety margins during steady-state operations for the selected transition cycles and the equilibrium LEU core. It is shown that there are adequate safety margins for both steady-state operations and postulated accident scenarios. For the steady-state operations with the preliminary LEU fuel element design the analysis predicts at least 2.49 MW margin to the onset of flow instability at the LSSS power of 15 MW. Considering the LSSS power is 125% of full license power, the margin to OFI is sufficient. In addition, the critical heat flux ratio at LSSS power is well above the requirement of CHFR > 2.0 from NUREG-1537 for all considered cases. For postulated transient accidents, the minimum margin to the fuel temperature safety limit is at least 109 °C. In summary, the proposed sequence of core loadings for MURR operations following conversion to LEU fuel and a power uprate to 12 MW provides sufficient safety margins for both steady-state operations and postulated transient accidents during a proposed sequence of transition cycles to equilibrium operations. Analysis has shown that there are some local experimental performance penalties during the initial cycles. Although there are local shifts in the experimental performance, on average all LEU cores at 12 MW have equal or higher performance than HEU at 10 MW. Temporary adjustments are being planned that will produce suitable experimental performance during these cycles. The results indicate that for the equilibrium LEU core the experimental performance exceeds that of current HEU operations in all key locations while also demonstrating sufficient safety margins.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Application of U10Mo Fuel for Space Fission Power Applications - White Paper

A novel reactor design has been proposed for space applications to provide hundreds of watts to one or two kilowatts of electrical power. The reactor concept proposed uses the alloy U10Mo (uranium with 10 weight percent molybdenum) as the fuel. This fuel was selected for its high uranium density, high thermal conductivity, and excellent neutronic characteristics for this application. The core is surrounded by a BeO reflector. Heat is carried from the reactor by liquid metal heat pipes. A shadow shield of LiH tungsten is also utilized to reduce the neutron and gamma radiation dose to the rest of the spacecraft. This design represents a best effort at minimizing the complexity of the fission system and reducing the mass of the system. The compact nature of the block UMo core and BeO radial reflector allows the reactor diameter to be as small as practical while still meeting the neutronic and thermal power demands. This directly results in a reduced shield mass since the reactor diameter dictates the footprint of the radiation shield. The use of heat pipes offers a straightforward primary heat transport approach using proven liquid-metal heat pipe technology. Further, the elimination of a liquid core coolant system heat transport components, both at the reactor side and radiator side, contributes to reducing the total part-count and lowering system mass. The proposed reactor is using a fuel that is being developed by DOE, but there are significant differences in the fuels enrichment, operating conditions and the physical shape of the fuel itself. This paper attempts to highlight some of the basic consideration and needs that would be expected to be met in developing this fuel and qualifying it for use.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear Fuel Cycle Options Catalog FY15 Improvements and Additions.

The United States Department of Energy, Office of Nuclear Energy, Fuel Cycle Technology Program sponsors nuclear fuel cycle research and development. As part of its Fuel Cycle Options campaign, the DOE has established the Nuclear Fuel Cycle Options Catalog. The catalog is intended for use by the Fuel Cycle Technologies Program in planning its research and development activities and disseminating information regarding nuclear energy to interested parties. The purpose of this report is to document the improvements and additions that have been made to the Nuclear Fuel Cycle Options Catalog in the 2015 fiscal year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Nuclear Fuel Cycle Options Catalog: FY16 Improvements and Additions

The United States Department of Energy, Office of Nuclear Energy, Fuel Cycle Technology Program sponsors nuclear fuel cycle research and development. As part of its Fuel Cycle Options campaign, the DOE has established the Nuclear Fuel Cycle Options Catalog. The catalog is intended for use by the Fuel Cycle Technologies Program in planning its research and development activities and disseminating information regarding nuclear energy to interested parties. The purpose of this report is to document the improvements and additions that have been made to the Nuclear Fuel Cycle Options Catalog in the 2016 fiscal year.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Enhanced LWR High Burnup Transient Simulation Capabilities to Support AOO Margin Identification

As part of ongoing efforts to support the Nuclear Energy Advanced Modeling and Simulation (NEAMS) program’s development of a fuel fragmentation, relocation, and dispersal (FFRD) screening methodology, a number of improvements are required for the NEAMS core simulation capabilities, namely the Virtual Environment for Reactor Applications (VERA). Three areas of improvement were identified in VERA which are important for continued development and application of the FFRD screening methodology. First, the FFRD screening methodology will soon be extended to boiling water reactors (BWRs), requiring development and validation of the VERA BWR capabilities. Second, the screening methodology occasionally requires that VERA be used to simulate a transient in addition to nominal operations. Thus, improvements to both accuracy and performance of the VERA transient capabilities are necessary. Third, the VERAOneWay component of VERA is used to develop BISON fuel performance inputs using the rod-by-rod histories calculated by VERA. Prior use of VERAOneWay exposed significant accuracy, robustness, and performance issues with VERAOneWay; these must be addressed for it to be an effective tool in the NEAMS FFRD methodology. This report documents the efforts in FY23 in each of these three areas to enable successful use of VERA and VERAOneWay for FFRD calculations in FY24 and following years.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗

Fuel Property Characterization and Prediction

The Fuel Property Characterization and Prediction effect with the Co-Optimization of Fuels and Engines (Co-Optima) initiative is focused on the measurement or prediction of key fuel properties. Efforts under the Vehicle Technologies Office (VTO) have focused on understanding how fuel evaporation phenomena can impact auto-ignition, mixing, and pollutant formation by studying the most important azeotropic interactions between alcohols and gasoline components utilizing a novel Differential Scanning Calorimetry/Thermogravimetric Analysis instrument coupled to a Mass Spectrometer (DSC/TGA/MS). In another effort, Nuclear Magnetic Resonance (NMR) measurements were utilized to understand how oxygenate clusters and networks contribute to vapor pressure effects. This is critical for predicting fuel droplet evaporation and effects on combustion. A method was developed on the Advanced Fuel Ignition Delay Analyzer (AFIDA) to rapidly measure the Research Octane Number (RON) and Sensitivity (S) of samples utilizing small volumes, which will aid in the pace of development of new fuels having targeted properties. Additionally, the AFIDA was employed to develop a method for fast measurement of phi-sensitivity in a bench-scale test that will allow studies of molecular structure effects on mechanism kinetics of this poorly understood kinetic phenomena. A flow reactor was also utilized to investigate the mechanistic basis of phi-sensitivity by identifying and quantitating key species in autoignition mechanisms that can explain phi-sensitivity. The outcomes of these efforts will help ensure that the Co-Optima program can advance the underlying science needed to develop biomass-derived-fuel and advanced engine technologies that will work in tandem to achieve Co-Optima's efficiency, environmental, and economic goals.

33 ADVANCED PROPULSION SYSTEMS↗