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At least 73 records · Page 4

Physics-Informed Neural Network Solution of Point Kinetics Equations for a Nuclear Reactor Digital Twin

A digital twin (DT) for nuclear reactor monitoring can be implemented using either a differential equations-based physics model or a data-driven machine learning model. The challenge of a physics-model-based DT consists of achieving sufficient model fidelity to represent a complex experimental system, whereas the challenge of a data-driven DT consists of extensive training requirements and a potential lack of predictive ability. We investigate the performance of a hybrid approach, which is based on physics-informed neural networks (PINNs) that encode fundamental physical laws into the loss function of the neural network. We develop a PINN model to solve the point kinetic equations (PKEs), which are time-dependent, stiff, nonlinear, ordinary differential equations that constitute a nuclear reactor reduced-order model under the approximation of ignoring spatial dependence of the neutron flux. The PINN model solution of PKEs is developed to monitor the start-up transient of Purdue University Reactor Number One (PUR-1) using experimental parameters for the reactivity feedback schedule and the neutron source. The results demonstrate strong agreement between the PINN solution and finite difference numerical solution of PKEs. We investigate PINNs performance in both data interpolation and extrapolation. For the test cases considered, the extrapolation errors are comparable to those of interpolation predictions. Extrapolation accuracy decreases with increasing time interval.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Development and benchmarking of transient nodal code SIMULATE5-K neutron kinetics solver

SIMULATE5-K is Studsvik's next generation best estimate transient code. The time dependent diffusion equation is solved with a nodal method consistent with that implemented in the licensed core design code SIMULATE5. Arbitrary number of neutron and delayed neutron precursor groups can be used. For the solution of the spatial problem, the coupling coefficients used to relate the node leakages are found by first converting the time dependent diffusion equation to a static diffusion equation with the use of flux and delayed neutron precursor dynamic frequencies. Once the static-like equations are obtained, the multi-group analytical nodal model is used to obtain the coupling coefficients, expressing the node leakage in terms of adjacent node average fluxes. The coupling coefficients are then inserted into the time dependent nodal balance equation. For the time integration, the time dependent neutron balance equation is solved with the frequency transformation method. The treatment of the temporal dependence yields a fixed source problem which can be solved utilizing the existing fixed-source methodology. The primary purpose of this paper is to describe the neutron kinetics methodology implemented in SIMULATE5-K. The accuracy of the method is demonstrated for a series of well-known, neutronic-only benchmark problems. (author)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Utilizing Physics-Informed Synthetic Data to Train a Digital Twin for Predicting Reactor Operations

Understanding techniques to strengthen the nuclear nonproliferation regime is crucial in reducing the creation of nuclear weaponry on the basis of advancements in the nuclear energy industry. Prior to construction of a nuclear power plant, it is necessary to understand the proliferation potential of the plant’s reactor. Digital twins serve as a unique solution to recognizing reactor behavior indicative of nuclear proliferation. The following research conducted serves as a validation to training a digital twin on synthetic data fabricated via means of reactor physics simulations based on parameters of Idaho State University’s AGN-201 reactor. The synthetic data is utilized to train a long short-term memory (LSTM) recurrent neural network model. The accuracy of the predicted data is measured against real operational data to verify the reliability of the synthetic data creation methods and if these methods should be used in the future to inform inspectors of a reactor’s proliferation capabilities.

98 NUCLEAR DISARMAMENT, SAFEGUARDS, AND PHYSICAL P↗

Fuel Properties and Kinetics

The Co-Optimization of Fuels and Engines (CoOptima) program is focused on a two-pronged approach to develop new, lower net-carbon fuels and advanced engine technologies in tandem. This effort brings nine national labs and several university and industry partners together to simultaneously identify new fuel candidates and to further engine technology development in the light-, medium-, and heavy-duty vehicle sectors with a focus on fuel economy and emission reduction. The fuel properties and kinetics project is aimed at achieving a better understanding of fuel property kinetics and how they impact engine performance such that more efficient and lower emitting engines can be made a reality. Several promising biofuel candidates were identified through tiered screening approaches and were evaluated utilizing unique bench-scale measurement techniques. Kinetic models were developed to describe autoignition and soot pre-cursor formation mechanisms to identify the most promising candidates that advanced various combustion strategies.

ADVANCED PROPULSION SYSTEMS↗

Moving from Fundamental Knowledge of Kinetics and Mechanisms on Surfaces to Prediction of Catalyst Performance in Reactors

Catalysis is defined by kinetics, but after over a century of catalyst development our kinetic and mechanistic knowledge governing real-world catalysis is still severely lacking. This Perspective considers how we can use the precise knowledge available from both theoretical and fundamental experimental techniques to understand and even predict catalytic performance under operational conditions. Here, we describe advances that link fundamental and "real-world" measurements, crucial elements required to successfully recreate a reaction network, and avenues which appear to offer viable routes to success.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

High-order accurate solutions of the point kinetics equations with the spectral deferred correction method

Solving initial value problems with higher-order methods can improve the accuracy of the simulation results or the efficiency of the calculation. In this paper, we apply the spectral deferred correction (SDC) method to solve the initial value problem of the point kinetics equations (PKE). SDC is a stable, robust, and efficient high-order time-integration method capable of an arbitrary order of accuracy. For our implementation we show that it is A-stable for orders up to 8 and the order of accuracy is verified for PKE problems with a range of different reactivities. A 5.-order SDC method was then implemented to solve the exact PKE (EPKE) in the Transient Multilevel (TML) method of MPACT. The error from solutions of the EPKE is shown to be negligible. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

The impact of the third O 2 addition reaction network on ignition delay times of neo-pentane

In this work, we studied the oxidation of neo-pentane by combining experiments, theoretical calculations, and mechanistic developments to elucidate the impact of the 3rd O 2 addition reaction network on ignition delay time predictions. The experiments are based on photoionization mass spectrometry in jet-stirred and time-resolved flow reactors allowing for sensitive detection of the keto-hydroperoxide (KHP) and keto-dihydroperoxide (KDHP) intermediates. With neo-pentane exhibiting a unique symmetric molecular structure, which consequently results only in single KHP and KDHP isomers, theoretical calculations of ionization and fragment appearance energies and of absolute photoionization cross sections enabled the unambiguous identification and quantification of the KHP intermediate. Its temperature and time-resolved profiles together with calculated and experimentally observed KHP-to-KDHP signal ratios were compared to simulation results based on a newly developed mechanism that describes the 3rd O 2 addition reaction network. A satisfactory agreement has been observed between the experimental data points and the simulation results, thus adding confidence to the model's overall performance. Finally, this mechanism was used to predict ignition delay times reported previously in shock tube and rapid compression machine experiments (J. Bugler et al., Combust. Flame 163 (2016) 138–156). While the model accurately reproduces the experimental data, simulations with and without the 3rd O 2 addition reaction network included reveal only a negligible effect on the predicted ignition delay times at 10 and 20 atm. According to model calculations, low temperatures and high pressures promote the importance of the 3rd O2 addition reactions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Rapid depletion analysis of flowing-pebble reactor systems at equilibrium using SCALE

Several high-temperature gas-cooled reactor concepts (and more recently, salt-cooled designs such as the fluoride salt-cooled high-temperature reactor) feature core designs employing continuously circulating fuel pebbles. These reactor designs permit both continuous online refueling of fuel elements as well as higher overall achievable discharge burnups. However, rapid calculation of time-dependent fuel isotopic inventories proves challenging for this class of dynamic systems with current analysis tools. While iterative approaches employing coupled neutron transport have been developed to solve this issue, rapid depletion analysis techniques are needed to calculate time-dependent inventories for individual pebbles and batches (and thus the construction of full- core inventory at equilibrium). We propose a depletion analysis strategy for this type of system for cores at equilibrium. Drawing upon previous neutronic analysis of the PBMR-400 equilibrium core, we demonstrate the viability of developing collapsed one-group cross section libraries suitable for performing rapid depletion analyses with SCALE. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Stereolithographic geometry model of the IBR-2M experimental facility

The IBR-2M is a fast research reactor that operates in supercritical condition for ∼ 800 μs every 200 ms. Two reflector parts in nickel rotate in opposite directions generating 1.8 GWth peak power when they align with the fuel zone changing the reactor status from deep subcritical to supercritical. The reactor core uses high-enriched plutonium fuel and is cooled by sodium. This reactor has been modeled by MCNP and SERPENT computer programs. The MCNP model uses combinatorial geometry, whereas the SERPENT model employs the Stereolithographic (STL) geometry representation that can be used by 3D printers. The STL geometry was constructed using the CUBIT computer program. The CUBIT program was also used for a three-dimensional visualization of the Monte Carlo models. SERPENT and MCNP models use the same geometry, material specifications, and nuclear data. The latter are based on the ENDF/B-7.0 library. SERPENT and MCNP using same geometry and same material specifications produce similar k{sub eff} values within 120 pcm.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Exponential time differencing scheme for mass transport and depletion in molten salt reactors

This work extends the capability previously shown for addressing the problem of computing depletion and mass transport calculations in molten salt reactors (MSRs) by calculating matrix exponentials. Additional algorithms are implemented to compute the matrix exponential and the action of the matrix exponential on a matrix. These algorithms include two methods based on the Pade approximation, a Taylor series method, and three methods based on Cauchy's integral formula. In addition to the added matrix exponential solvers, a variable-order total variation diminishing scheme is applied to the convective flux approximation to provide enhanced accuracy. Finally, a simplified MSR problem is shown for each of the exponential time differencing solvers along with classical backwards differencing integrators. The results show excellent convergence for exponential time differencing methods. Computation time is a key element for selecting the optimal solver in these problems, and this work shows that Pade and Cauchy-based solvers may provided the fastest and most accurate solutions. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Alternative analysis of the MINERVE ZPR oscillation experiments

Delayed neutrons are of fundamental importance in the field of nuclear reactor dynamics and control. However, the precursor yield fraction for a given nuclear reactor are dependent on the properties of the reactor. Thus, in-pile experiments, such as oscillation experiments are conducted in order to measure those values. In this work, an alternative analysis of the piston oscillation experiments that have been conducted in the MINERVE reactor in 2013 is performed. A new method which evolves effective terms that cancel out undesired drifts of the flux during the experiments is presented. The evaluation of the uncertainty on the values of the response function is also presented. Moreover, the effective delayed neutron fraction β{sub eff} is evaluated and is compared to results in previous works. As the analysis has led to an estimation of β{sub eff} with a large uncertainty, it has been deduced that the oscillation experiments that have been conducted in MINERVE are not a reliable method of experimentation to determine the value of β{sub eff} in the reactor and that the noise experiments are better suited for that purpose.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

Polymer etching in the oxygen afterglow - Increased etch rates with increased reactor loading

Reactor loading has an effect on the etch rate (rate of decrease of film thickness) of films of polyvinylfluoride (Tedlar) and polyethylene exposed in the afterglow of an RF discharge in oxygen. The etch rate is found to increase with the total surface area of the polymer exposed in the reactor. The etch rates of polypyromellitimide (Kapton H) and polystyrene under these conditions are very low. However, the etch rate of these polymers is greatly enhanced by adding either Tedlar or polyethylene to the reactor. A kinetic model is proposed based on the premise that the oxygen atoms produced by the RF discharge react with Tedlar or polyethylene to produce a much more reactive species, which dominates the etching of the polymers studied.

Lerner, N. R.↗

Mars Atmospheric Conversion to Methane and Water: An Engineering Model of the Sabatier Reactor with Characterization of Ru/Al2O3 for Long Duration Use on Mars

The Atmospheric Processing Module (APM) is a Mars In-Situ Resource Utilization (ISRU) technology designed to demonstrate conversion of the Martian atmosphere into methane and water. The Martian atmosphere consists of approximately 95 carbon dioxide (CO2) and residual argon and nitrogen. APM utilizes cryocoolers for CO2 acquisition from a simulated Martian atmosphere and pressure. The captured CO2 is sublimated and pressurized as a feedstock into the Sabatier reactor, which converts CO2 and hydrogen to methane and water. The Sabatier reaction occurs over a packed bed reactor filled with Ru/Al2O3 pellets. The long duration use of the APM system and catalyst was investigated for future scaling and failure limits. Failure of the catalyst was detected by gas chromatography and temperature sensors on the system. Following this, characterization and experimentation with the catalyst was carried out with analysis including x-ray photoelectron spectroscopy and scanning electron microscopy with elemental dispersive spectroscopy. This paper will discuss results of the catalyst performance, the overall APM Sabatier approach, as well as intrinsic catalyst considerations of the Sabatier reactor performance incorporated into a chemical model.

Catlayst↗

BETO 2021 Peer Review - Thermochemical Platform Analysis WBS: 2.1.0.302

The objective of the NREL Thermochemical Platform Analysis (WBS 2.1.0.302) project is to inform and guide R&D priorities for thermal and catalytic conversion processes by providing process design and techno-economic analysis (TEA). This is achieved through close collaboration with researchers and external experts, along with the use of both commercially available modeling tools and the development or use of collaboration-derived domain-specific tools and resources, such as refinery integration, kinetic and reactor models, phase equilibrium models, and pertinent bio-products market studies. This project is directly aligned with DOE-BETO goals, with the enabling of technology advancements and cost reduction for biomass derived biofuels being one of its primary objectives. TEA-guided research facilitated by this project has helped achieve significant modeled cost reductions for the ex situ catalytic fast pyrolysis (CFP) pathway and the indirect liquefaction (IDL) pathway for the conversion of syngas to high-octane gasoline (HOG). Cost reduction through refinery integration, development of valuable co-products, and other options are being identified for future research to help reduce the modeled MFSP to $2.50/GGE by 2030. Additional priorities anticipated in the future, such as the use of renewable electricity for liquid fuels and products, and emphasis on waste utilization are also being explored in conjunction with research on catalytic utilization of syngas and other gases (including CO2). Industry-relevant parameters are given deliberate attention as part of the work done under this project to help answer questions important for future commercialization and address associated risks.

29 ENERGY PLANNING, POLICY, AND ECONOMY↗

Thermal feedback coupling in a transient Monte Carlo high-order/low-order scheme

Transient simulations of nuclear systems face the computational challenge of resolving both space and time during reactivity changes. A common strategy for tackling this issue is to split the neutron flux into shape and amplitude functions. This split can be solved with high- order/low-order methods. While this multi-fidelity approach has traditionally been reserved for deterministic methods, it is also possible to implement in Monte Carlo as an efficient alternative to Dynamic Monte Carlo. This work implements the frequency transform method with thermal feedback in high-order/low-order Monte Carlo by blending static coupling methods such as single-batch Monte Carlo, with a simple thermal-fluids calculation. While previous work focused solely on prescribed transients, the addition of time-dependent thermal-fluids allows transients to be self-propagating. Tests were run in a fluids-initiated transient to showcase the basic functionalities of this methodology. Preliminary results behave as expected, paving the way for studying more sophisticated thermal-fluids coupling methods. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Transient MOC with frequency transform and DSA on unstructured mesh

We present an implementation of the transient method of characteristics (MOC) with isotropic time derivatives, accelerated by diffusion synthetic acceleration (DSA). The fully implicit frequency transform method is used to solve the transient problem with analytic precursor integration. The code works on meshes composed of almost any of the commonly used non-curvilinear finite element types, and can handle the deformation of geometry in time-dependent transport calculations. We present results of a continuous Fourier analysis for the transient multigroup DSA problem, and representative benchmarking results are presented for the C5G7-TD benchmark in 2D showing reasonable performance and agreement compared to other codes. (authors)

22 GENERAL STUDIES OF NUCLEAR REACTORS↗