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Search indexed NASA NTRS and DOE OSTI research on propulsion, heat transfer, battery materials and energy systems. Follow report and document links to the original sources.

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All sourcesNASA NTRSDOE OSTI
DOE OSTI2025

Modeling and simulation of multiphase flows

Multiphase flow can be found in a wide range of natural and industrial systems, such as sediment flow in rivers and coasts to pipeline transport, and reactors of all types. Computational fluid dynamics (CFD) modeling provides a rigorous physics-based method to visualize and quantify these flows and to assess their influence on their surroundings. This presentation will highlight computational research on two varied technologies in the energy sector: carbon capture and wellbore acoustics.

acoustic analysis↗
DOE OSTI2022

Numerical fluid dynamics for FRG flow equations: Zero-dimensional QFTs as numerical test cases. II. Entropy production and irreversibility of RG flows

Herein we demonstrate that the reformulation of renormalization group (RG) flow equations as nonlinear heat equations has severe implications on the understanding of RG flows in general. We demonstrate by explicitly constructing an entropy function for a zero-dimensional Z 2 -symmetric model that the dissipative character of generic nonlinear diffusion equations is also hard-coded in the functional RG equation. This renders RG flows manifestly irreversible, revealing the semigroup property of RG transformations on the level of the flow equation itself. Additionally, we argue that the dissipative character of RG flows, its irreversibility and the entropy production during the RG flow may be linked to the existence of a so-called C– / A-function. In total, this introduces an asymmetry in the so-called RG time—in complete analogy to the thermodynamic arrow of time—and allows for an interpretation of infrared actions as equilibrium solutions of dissipative RG flows equations. The impossibility of resolving microphysics from macrophysics is evident in this framework. Furthermore, we directly link the irreversibility and the entropy production in RG flows to an explicit numerical entropy production, which is manifest in diffusive and non-linear partial differential equations (PDEs) and a standard mathematical tool for the analysis of PDEs. Using exactly solvable zero-dimensional Z 2 -symmetric models, we explicitly compute the (numerical) entropy production related to the total variation nonincreasing property of the PDE during RG flows toward the infrared limit. Finally, we discuss generalizations of our findings and relations to the C– / A-theorem as well as how our work may help to construct truncations of RG flow equations in the future, including numerically stable schemes for solving the corresponding PDEs.

72 PHYSICS OF ELEMENTARY PARTICLES AND FIELDS↗
DOE OSTI2024

Shock Hugoniot calculations using on-the-fly machine learned force fields with ab initio accuracy

We present a framework for computing the shock Hugoniot using on-the-fly machine learned force field (MLFF) molecular dynamics simulations. In particular, we employ an MLFF model based on the kernel method and Bayesian linear regression to compute the free energy, atomic forces, and pressure, in conjunction with a linear regression model between the internal and free energies to compute the internal energy, with all training data generated from Kohn–Sham density functional theory (DFT). We verify the accuracy of the formalism by comparing the Hugoniot for carbon with recent Kohn–Sham DFT results in the literature. In so doing, we demonstrate that Kohn–Sham calculations for the Hugoniot can be accelerated by up to two orders of magnitude, while retaining ab initio accuracy. We apply this framework to calculate the Hugoniots of 14 materials in the FPEOS database, comprising 9 single elements and 5 compounds, between temperatures of 10 kK and 2 MK. We find good agreement with first principles results in the literature while providing tighter error bars. In addition, we confirm that the inter-element interaction in compounds decreases with temperature.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗
DOE OSTI2020

Liquid helium fluid dynamics studies. Final Technical Report

Future high energy physics accelerators depend on a number of advanced technologies to open the many doors of scientific discovery. Among these advanced technologies, superconducting magnets and superconducting radio frequency (SRF) cavities are the backbone of the accelerator and detector systems. But all these low temperature systems depend critically on successful and reliable operation of their supporting technologies, among which the liquid helium cooling system is of the utmost importance. To improve the quality of these systems both in terms of efficiency and reliability, a robust helium cryogenics research and development (R&D) effort is required. The proposed research to be conducted by the FSU cryogenics group aims to produce fundamental knowledge that meets this R&D need. The projects that we have completed over the past grant period at Florida State University consist of experimental research on liquid helium fluid dynamics and heat transfer problems relevant to the development of future superconducting particle physics accelerators. Liquid helium is the coolant used in all such facilities and in many of these facilities He II (the low temperature phase of liquid helium also known as superfluid helium) is preferred due to its outstanding heat transfer characteristics. The work consists of two main experimental studies that probe both fundamental as well as practical aspects of liquid helium cooling. The first is a broad and fundamental study of the heat and mass transfer processes that can occur during a sudden catastrophic loss of vacuum (SCLV) incident in a superconducting accelerator. SCLV refers to the remote but extremely critical accident scenario where atmospheric pressure air is allowed to flood into the insulating vacuum system and impinge on the liquid helium cooled surfaces in the accelerator. Safe performance and recovery from such accidents is essential to the reliable operation of superconducting accelerators. The dynamics of this process is quite complex and so our approach is to conduct a series of well-orchestrated experiments that probe the various physical phenomena that can occur during an SCLV event. The experiments are coupled with analytic and numerical analysis in an effort to develop a general understanding of the process and to assist with future accelerator design and development. The second activity is directed toward fundamental understanding of heat and mass transfer in He II, which is essential to the design of superconducting magnets and radio frequency cavities in accelerators. The work consists of flow visualization of the dynamics of He II using laser assisted techniques. Two complementary techniques are used to study the fundamentals of the turbulent state. The first technique uses neutrally buoyant solid hydrogen particles to probe the flow fields of the superfluid and normal fluid components. The other technique uses laser excited He2* molecules as tracers of the normal fluid motion within the He II. The activities also included an effort to use visualization techniques to locate transient hot spots in radio frequency superconducting cavities. Such work provides valuable information about the heat transfer process in He II and its impact on the performance of superconducting devices. The research effort at Florida State University is not directly in support of a specific high energy physics experiment or facility. Rather, the work is general and coordinated with HEP accelerator laboratories to provide valuable insight that can assist with future accelerator development.

75 CONDENSED MATTER PHYSICS, SUPERCONDUCTIVITY AND↗
DOE OSTI2023

The saturation mechanism of thermal instability

The literature on thermal instability (TI) reveals that even for a simple homogeneous plasma, the nonlinear outcome ranges from a gentle reconfiguration of the initial state to an explosive one, depending on whether the condensations that form evolve in an isobaric or nonisobaric manner. After summarizing the recent developments on the linear and nonlinear theory of TI, here we derive several general identities from the evolution equation for entropy that reveal the mechanism by which TI saturates; whenever the boundary of the instability region (the Balbus contour) is crossed, a dynamical change is triggered that causes the comoving time derivative of the pressure to change the sign. This event implies that the gas pressure force reverses direction, slowing the continued growth of condensation. For isobaric evolution, this “pressure reversal” occurs nearly simultaneously for every fluid element in condensation and a steady state is quickly reached. For nonisobaric evolution, the condensation is no longer in mechanical equilibrium and the contracting gas rebounds with greater force during the expansion phase that accompanies the gas reaching the equilibrium curve. The cloud then pulsates because the return to mechanical equilibrium becomes wave mediated. We show that both the contraction rebound event and subsequent pulsation behavior follow analytically from an analysis of the new identities. Our analysis also leads to the identification of an isochoric TI zone and makes it clear that unless this zone intersects the equilibrium curve, isochoric modes can only become unstable if the plasma is in a state of thermal non-equilibrium.

79 ASTRONOMY AND ASTROPHYSICS↗
DOE OSTI2022

Phenomenological Model of Nonlinear Dynamics and Deterministic Chaotic Gas Migration in Bentonite: Experimental Evidence and Diagnostic Parameters

Understanding gas migration in compacted clay materials, e.g., bentonite and claystone, is important for the design and performance assessment of an engineered barrier system of a radioactive waste repository system, as well as many practical applications. Existing field and laboratory data on gas migration processes in low-permeability clay materials demonstrate the complexity of flow and transport processes, including various types of instabilities, caused by nonlinear dynamics of coupled processes of liquid–gas exchange, dilation, fracturing, fracture healing, etc., which cannot be described by classical models of fluid dynamics in porous media. We here show that the complexity of gas migration processes can be explained using a phenomenological concept of nonlinear dynamics and deterministic chaos theory. To do so, we analyzed gas pressure and gas influx (i.e., input) and outflux (i.e., output), recorded during the gas injection experiment in the compact Mx80-D bentonite sample, and calculated a set of the diagnostic parameters of nonlinear dynamics and chaos, such a global embedding dimension, a correlation dimension, an information dimension, and a spectrum of Lyapunov exponents, as well as plotted 2D and 3D pseudo-phase-space strange attractors, based on the univariate influx and outflux time series data. These results indicate the presence of phenomena of low-dimensional deterministic chaotic behavior of gas migration in bentonite. In particular, during the onset of gas influx in the bentonite core, before the breakthrough, the development of gas flow pathways is characterized by the process of chaotic gas diffusion. After the breakthrough, with inlet-to-outlet movement of gas, the prevailing process is chaotic advection. During the final phase of the experiment, with no influx to the sample, the relaxation pattern of gas outflux is resumed back to a process of chaotic diffusion. The types of data analysis and a proposed phenomenological model can be used to establish the basic principles of experimental data-gathering, modeling predictions, and a research design.

36 MATERIALS SCIENCE↗
DOE OSTI2026

Impact of impurities on peeling–ballooning modes and turbulence in tokamak plasmas

This study investigates the impact of various impurity species on peeling–ballooning (PB) modes and microturbulence in tokamak plasmas through the extension of traditional two-fluid and gyro-landau-fluid (GLF) models. By incorporating finite Larmor radius (FLR) effects, the analysis provides a comprehensive understanding of impurity-driven impact and its interaction with plasma turbulence. Depending on charge state and local plasma conditions, heavy impurities may exhibit gyro-radii larger than those of main ions, which are captured in the extended GLF model presented. Following the presentation of modified two-fluid equations incorporating impurity effects, we systematically analyze the distinctions between impurity and main ion dynamics and their resultant feedback mechanisms on plasma behavior. Derivation of the linear dispersion relation enables quantification of impurity-mediated modifications to: plasma vorticity, diamagnetic drift and gyroviscous effects, electron Hall physics, and FLR effects. BOUT++ – based linear simulations corroborate this formalism, demonstrating systematic stabilization of PB modes upon impurity seeding. And then operational implications for practical impurity control strategies in tokamak devices are proposed. The results underscore the necessity of impurity management to maintain stability and optimize plasma confinement, with specific focus on how FLR effects contribute to transport dynamics. This work paves the way for enhanced modeling and simulation efforts, supporting the development of strategies to control impurity-induced turbulence and improve overall reactor performance.

BOUT++ simulation↗
DOE OSTI2025

Performance Analysis and Simulaion of the Hydraulic Scram System in TREAT Reactor

The Transient Reactor Test Facility (TREAT) at Idaho National Laboratory (INL) serves a vital role in nuclear fuel safety research, enabling transient experiments that simulate reactivity excursions and accident scenarios. Central to these operations is the transient control rod drive system (TCRDS), which drives rapid motion of the transient control rods such that TREAT can simulate rapid power changes typical of reactor accidents. The reliability and performance of this system are critical for protecting both fuel specimens and reactor infrastructure. This study presents the initial phase of a two-year investigation into the dynamics and reliability of the TREAT hydraulic TCRDS. Conducted in collaboration with INL, the research employs a combined computational and experimental approach to analyze the system's response time, pressure transients, and potential failure modes. Emphasis is placed on understanding how fluid characteristics influence the TCRDS’s ability to achieve both rapid power changes and mechanical stability. The TRDS and the skid that powers it will be analyzed throughout this investigation. Computational modeling using computational fluid dynamics (CFD) will simulate the hydraulic response under varying conditions. In parallel, experimental testing planned at INL will validate these models and capture key performance metrics. This paper outlines the system design, analytical framework, and modeling strategies that form the foundation for later testing. Ultimately, this work aims to support improvements to the TCRDS’s design and reliability, contributing to the broader goal of enhancing nuclear fuel safety and sustaining TREAT’s mission as a premier nuclear fuel test facility.

21 - SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLAN↗
DOE OSTI2020

RELAP-7 Application and Enhancement for FLEX Strategies and ATF Behavior under Extended Loss of AC Power Conditions

This report summarizes the results of a three-year research project sponsored by the U.S. Department of Energy (DOE) Nuclear Energy University Program (NEUP) to enhance and apply the RELAP-7 code by adding and improving several important components (e.g., a mechanistic Reactor Core Isolation Cooling (RCIC) system model) for thermal hydraulic studies of LWRs under ELAP conditions and evaluating the time available for transition to portable FLEX equipment. The project team included University of Massachusetts–Lowell, The Ohio State University, Texas A&M University, Idaho National Laboratory and Oak Ridge National Laboratory. In the Fukushima accident, it was found that the RCIC system played a crucial role in delaying core meltdown by almost three days in Fukushima Daiichi Unit 2, because of self-regulated operation of the steam driven RCIC turbine-pump injection system. Steam flow in the convergent-divergent nozzles of the RCIC Terry turbine is two-phase non-equilibrium transonic flow with homogenous nucleation condensation. To more accurately predict the dynamic process and behavior of the transonic compressible steam flow, a one-dimensional transient two-phase analytical model is presented. A simplified four-fluid model was employed in the present work with the consideration of four separate fluid fields: vapor, liquid film, entrained droplets and condensed droplets. The mass, momentum and energy interactions between the fluids were considered and modeled. An extended seven-equation non-equilibrium critical flow model was developed to obtain the critical pressure and velocities of each phase at the nozzle throat. To predict the wetness in the divergent section, a mechanistic nucleation condensation model was integrated in the nozzle analysis model, considering the generation and consequent growth of droplets. The governing differential equations on a staggered grid were discretized using the second-order Lax-Wendroff scheme with a flux limiter, and the Semi-Implicit Method for Pressure-Linked Equation (SIMPLE) algorithm was employed to solve the discrete linear system. To demonstrate the predictability and reliability of the physical models and the numerical method proposed in the present work, three representative nozzles were modeled and simulated. The results show good agreement with the available experimental data, even for condensation shock. Then, the 1D nozzle model was employed to obtain nozzle flow tables of the Terry turbine nozzle for different working pressures which can cover the operation pressure range of the RCIC system. A mechanistic RCIC turbine-pump system model was developed and implemented in the system code TRACE to simulate dynamic responses of the RCIC system under Beyond Design Basis Accident (BDBA) conditions. The turbine-pump governing equations are based on the control volume approach of the angular momentum balance. The physics based mechanistic RCIC model was developed using the TRACE control system components (i.e., signal variables, control blocks, and tables), and incorporated into a TRACE boiling water reactor (BWR) model. The TRACE model in this report has a detailed nodalization of the reactor pressure vessel (RPV), and all of the major flow paths and system components, including the safety relief valves (SRVs) and the containment suppression pool and drywell. Based on the nozzle flow tables generated from the 1D nozzle model developed, the turbine drive torque can be calculated from table lookup. Since the detailed specifications of the RCIC pump are unavailable, the homologous curves for a Bingham pump were used in the current pump component. A station black-out (SBO) accident test problem was selected to demonstrate the TRACE RCIC model. The short-term SBO simulations were performed for two cladding materials: Zircaloy and FeCrAl, to demonstrate the effect of the accident tolerant fuel cladding on fuel heat-up under BDBA accident conditions. The wetwell plays a vital safety role in SBO and other BWR accident scenarios in that it can reduce containment pressure and supply additional core make-up water. The suppression pool temperature distribution has a very large impact on both RPV and containment pressure. Thus, another novel contribution of the project comes mainly from an improved, systems-level wetwell model which can capture buoyancy-induced thermal stratification effects due to steam injection and condensation. A two-zone stratified wetwell model has been implemented in RELAP-7 and some results from that model are presented. This wetwell model is capable of simulating thermal stratification due to a low steam mass injection rate. With a low mass flow rate, the model assumes that all the steam condenses within the pipe and the resulting plume can be approximated with a purely buoyant, heat-source driven model. The wetwell model developed with these assumptions is adequate to simulate slow transients such as extended SBO transients.

42 ENGINEERING↗
DOE OSTI2022

Experimental measurements of fluid flow in an 84-pin hexagonal rod bundle with spacer grid for a gas-cooled fast modular reactor

A 50 MW e helium-cooled fast modular reactor (FMR) is under development, and as part of the Department of Energy Integrated Research Project (IRP), Texas A&M University is conducting the thermal-hydraulic characterization of its baseline core configuration. Here, we experimentally investigated the axial and cross flow fields characteristics in the hexagonal fuel rod bundle composed of 84 rods, a central rod, and spacer grids at a Reynolds number of 12,000. A fully transparent experimental facility resembling of one unit of the fuel assembly was constructed. Time-resolved particle image velocimetry (TR-PIV) measurements were performed to characterize hydraulic behavior downstream the spacer grid. Velocity measurements were conducted in the axial and radial direction of the rod bundle. From the PIV velocity vector fields, the full-field flow statistics were computed for the mean velocity, vorticity, and Reynolds stresses. An analysis of the energy decay downstream of the spacer grid was conducted with calculations of secondary-flow intensities, turbulent kinetic energy, power spectrum, and spatial-temporal velocity cross correlations. The vorticity field was obtained and pairs of counter-rotating vortexes were identified using a 3D reconstruction of several measurement planes. The data from this experimental campaign will be used to validate numerical models based on Computational Fluid Dynamics and other codes.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2023

Electrochemical Residence Time Distribution as a Diagnostic Tool for Redox Flow Batteries

The fluid dynamic and electrochemical performance of redox flow batteries (RFBs) stems from the relationship between the flow field and the porous electrode, whose interplay determines how active species move and react during device operation. While characterization techniques, such as residence time distribution, offer insights into species mobility within a reactive volume for a traditional chemical reactor, electrochemical reactors also enable simultaneous measurement of the redox reactions, unlocking another dimension of analysis. Herein, we demonstrate how potentiodynamic measurements, using injections of electrolyte examined through moment analysis, can provide electrode-specific performance scaling relationships across a matrix of carbon paper and cloth electrodes with flow through and interdigitated flow fields. We further combine experimental campaigns with multiphysics simulations to demonstrate how electrode surface area can be estimated with this technique, which we then validate with activated and unactivated commercial carbon cloth electrodes. These studies reveal the multiscale observations that potentiodynamic measurements afford, augmenting existing electrochemical techniques for holistic electrochemical reactor diagnostics.

Electrochemistry↗
DOE OSTI2020

Heat Integration Optimization and Dynamic Modeling Investigation for Advancing the Coal-Direct Chemical Looping Process

The purpose of the project is to address the optimization and startup operation of a modular coal direct chemical looping (CDCL) combustion system integrated with a steam cycle for power generation to reduce the risks involved in further scale-up of the technology. The modular reactor design of the CDCL process provides flexibility in the fabrication of the reactor and in its operating capacity (i.e. turndown ratio) at the cost of a more complex heat exchange network (HEN) design and integration. To address the technology gaps and advance the efficiency and economic feasibility of the CDCL technology, the project will perform a detailed and comprehensive analysis of the integration of a modular CDCL reactor system and a steam cycle system under both static and transient conditions via HEN process performance simulations and system dynamic modeling, respectively. The scope of work consists of 1) Experimental and computational studies of the CDCL combustor reactor 2) Comprehensive static (i.e. steady-state) system HEN design analysis in CDCL 550 MWe commercial unit for power generation and 3) Dynamic modeling of site specific design of 10MWe CDCL large pilot plant. The project team has successfully developed and validated a kinetic model for the oxidation of oxygen carriers in the combustor using the unreacted shrinking core model (UCSM). The model is capable of capturing the oxidation kinetics of fully or partially reduced oxygen carrier particles. A computational fluid dynamics (CFD) model is developed to simulate the hydrodynamics, heat transfer, and chemical reaction occurring in the CDCL combustor. The model is developed in MFIX and ANSYS Fluent. Key aspects of CDCL combustor operation, including heat transfer, oxygen carrier oxidation, and the transport of oxygen carrier particles, are simulated using this CFD model. The HEN for a commercial scale 550 MWe CDCL power plant is simulated and optimized using ASPEN Plus. Practical design considerations are incorporated based on industrial experiences. The performance and cost for the commercial CDCL plant is updated based on these analyses. A dynamic model for the 10 MWe CDCL pilot plant is developed in ProTRAX simulation software. The model is based on the pilot plant design developed in project DE-FE0027654 “10 MWe CDCL Large Pilot Plang – Pre-FEED Study” and the steam cycle data obtained from Dover Light & Power plant. The transient behaviors during pilot plant load variation are simulated using the dynamic model.

01 COAL, LIGNITE, AND PEAT↗
DOE OSTI2020

Evaluation of Nuclear Spent Fuel Disposal in Clay-Bearing Rock - Process Model Development and Experimental Studies

The DOE R&D program under the Spent Fuel Waste Science Technology (SFWST) campaign has made key progress in modeling and experimental approaches towards the characterization of chemical and physical phenomena that could impact the long-term safety assessment of heat-generating nuclear waste disposition in deep clay/shale/argillaceous rock. International collaboration activities such as heater tests and postmortem analysis of samples recovered from these have elucidated key information regarding changes in the engineered barrier system (EBS) material exposed to years of thermal loads. Chemical and structural analyses of sampled bentonite material from such tests has as well as experiments conducted on these are key to the characterization of thermal effects affecting bentonite clay barrier performance and the extent of sacrificial zones in the EBS during the thermal period. Thermal, hydrologic, and chemical data collected from heater tests and laboratory experiments has been used in the development, validation, and calibration of THMC simulators to model near-field coupled processes. This information leads to the development of simulation approaches (e.g., continuum vs. discrete) to tackle issues related to flow and transport at various scales of the host-rock and EBS design concept. Consideration of direct disposal of large capacity dual-purpose canisters (DPCs) as part of the back-end SNF waste disposition strategy has generated interest in improving our understanding of the effects of elevated temperatures on the EBS design. This is particularly important for backfilled repository concepts where temperature plays a key role in the EBS behavior and long-term performance. This report describes multiple R&D efforts on disposal in argillaceous geologic media through development and application of coupled THMC process models, experimental studies on clay/metal/cement barrier and host-rock (argillite) material interactions, molecular dynamic (MD) simulations of water transport during (swelling) clay dehydration, first-principles studies of metaschoepite (UO 2 corrosion product) stability, and advances in thermodynamic plus surface complexation database development. Drift-scale URL experiments provides key data for testing hydrological-chemical (HC) model involving strong couplings of fluid mixing and barrier material chemical interactions. The THM modeling focuses on heater test experiments in argillite rock and gas migration in bentonite as part of international collaboration activities at underground research laboratories (URLs). In addition, field testing at an URL involves in situ analysis of fault slip behavior and fault permeability. Pore-scale modeling of gas bubble migration is also being investigated within the gas migration modeling effort. Interaction experiments on bentonite samples from heater test under ambient and elevated temperatures permit the evaluation of ion exchange, phase stability, and mineral transformation changes that could impact clay swelling. Advances in the development, testing, and implementation of a spent nuclear fuel (SNF) degradation model coupled with canister corrosion focus on the effects of hydrogen gas generation and its integration with Geologic Disposal Safety Assessment (GDSA). GDSA integration activities includes evaluation of groundwater chemistries in shale formations.

12 MANAGEMENT OF RADIOACTIVE AND NON-RADIOACTIVE W↗
DOE OSTI2022

Machine-learning identification of the variability of mean velocity and turbulence intensity for wakes generated by onshore wind turbines: Cluster analysis of wind LiDAR measurements

Light detection and ranging (LiDAR) measurements of isolated wakes generated by wind turbines installed at an onshore wind farm are leveraged to characterize the variability of the wake mean velocity and turbulence intensity during typical operations, which encompass a breadth of atmospheric stability regimes and rotor thrust coefficients. The LiDAR measurements are clustered through the k-means algorithm, which enables identifying the most representative realizations of wind turbine wakes while avoiding the imposition of thresholds for the various wind and turbine parameters. Considering the large number of LiDAR samples collected to probe the wake velocity field, the dimensionality of the experimental dataset is reduced by projecting the LiDAR data on an intelligently truncated basis obtained with the proper orthogonal decomposition (POD). The coefficients of only five physics-informed POD modes are then injected in the k-means algorithm for clustering the LiDAR dataset. The analysis of the clustered LiDAR data and the associated supervisory control and data acquisition and meteorological data enables the study of the variability of the wake velocity deficit, wake extent, and wake-added turbulence intensity for different thrust coefficients of the turbine rotor and regimes of atmospheric stability. Furthermore, the cluster analysis of the LiDAR data allows for the identification of systematic off-design operations with a certain yaw misalignment of the turbine rotor with the mean wind direction.

17 WIND ENERGY↗
DOE OSTI2023

Component level modeling of materials degradation for insights into operational flexibility of Existing Coal Power Plants

Increasingly, coal-fired power plants are required to balance power grids by compensating for the variable electricity supply from renewable energy sources. Fossil-fueled power plants, originally designed to be base loaded, will increasingly need to operate on a load following or cyclic basis. This demanding requirement for operational flexibility needs insights into accelerated material degradation arising due to the harsh operating conditions (e.g., fatigue, early oxide exfoliation due to stresses) along with current damage mechanisms (fireside corrosion, creep and erosion) observed in service. Our research objective is to develop component level modeling toolkit for materials-based degradation for two key mechanisms that can accelerate with cyclic operations. In more detail, this includes the fireside corrosion/steam oxidation/erosion/creep/fatigue of superheaters/reheaters and steam pipework and also the water droplet erosion/ fatigue of last stage steam turbine blades degradation mechanisms, that demand routine and sometimes unplanned maintenance and repair. The innovation is in developing a computational fluid dynamics/finite element (CFD/FE) modeling toolkit for the component level models of the boilers and low-pressure steam turbines in coal power plants that can tackle multidisciplinary failure mechanisms occurring concurrently for extreme environment materials. Lifetime assessment in such environments also needs to account for the unit-specific analyses, operational history and fuel feedstock; this can only be obtained by destructive analysis of components. This, in turn, enables validation of the model toolkits utilizing service feedback data, improving the probability of time/temperature dependent life prediction.

20 FOSSIL-FUELED POWER PLANTS↗
DOE OSTI2023

CTF Theory Manual: Version 4.4

Coolant-Boiling in Rod Arrays – Two Fluids (COBRA-TF) is a thermal/hydraulic (T/H) simulation code designed for light-water reactor (LWR) vessel analysis. It uses a two-fluid, three-field (i.e., fluid film, fluid drops, and vapor) modeling approach. Both subchannel and 3D Cartesian forms of its governing equations are available for the solution. The code was originally developed by Pacific Northwest Laboratory in 1980 and has been used and modified by several institutions over the last few decades. COBRA-TF also found use at the Pennsylvania State University (PSU) by the Reactor Dynamics and Fuel Modeling Group (RDFMG) and has been improved, updated, and subsequently rebranded as CTF. CTF was later adopted in the early 2010s by Oak Ridge National Laboratory (ORNL) for use in the Consortium for Advanced Simulation of Light Water Reactors (CASL) program, which led to a significant advancement of the code’s software quality, modeling accuracy, testing systems, and capabilities for improved support in modeling common LWR nominal and transient behavior. As part of the improvement process, it was necessary to generate sufficient documentation for the public domain code which had lacked such material upon being adopted by RDFMG. This document serves as a theory manual for CTF, detailing the many two-phase heat transfer, drag, and important accident scenario models contained in the code, as well as the numerical solution process utilized. Additional documents available in the CTF documentation suite include the user manual and the verification and validation manual.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗
DOE OSTI2023

Effects of non-thermal termolecular reactions on wedge-induced oblique detonation waves

The shock-induced combustion ramjet (Shcramjet) based on oblique detonation waves (ODWs) is among the promising choices for hypersonic propulsion systems. An understanding of the ignition, propagation, and stability of ODWs is critical to harnessing their propulsive potential. In such high speed reacting flows, there is a high probability of occurrence of non-thermal reactions due to the presence of non-trivial amounts of highly reactive radicals including H, O and OH apart from O 2 as demonstrated recently [M. P. Burke, S. J. Klippenstein, Nat. Chem. 9 (2017) 1078–1082, Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. The present work focuses on examining the initiation, propagation and structure of oblique detonation waves in stoichiometric H 2 -air mixtures through numerical simulations with and without non-thermal reactivity on a two-dimensional adaptive grid. Non-thermal reactions were included in the macroscopic kinetic model as chemically termolecular reactions facilitated by the H + OH radical-radical recombination and the H + O 2 radical-molecule association reactions. Since, the non-thermal reactions result in a corresponding decrease in the reaction fluxes of the incipient recombination/association reactions, an additional simulation was performed by applying corrections to the respective incipient recombination/association rate constants using the methodology demonstrated by Tao et al. [Y. Tao, A. W. Jasper, Y. Georgievskii, S. J. Klippenstein, R. Sivaramakrishnan, Proc. Combust. Inst. 38 (2021) 515–522]. Results show that, under ODWE relevant conditions, non-thermal reactivity fundamentally alters the induction length, intensity as well as the structure of the ODW. Specifically, it is found that non-thermal reactivity leads to a noticeable reduction in initiation length and a simultaneous increase in instantaneous peak heat release rate and the degree of unsteadiness of the ODW. Finally, statistical analysis of key thermo-chemical variables is performed to elucidate the important species as well as reactions responsible for the observed variations.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗
DOE OSTI2022

Phase 1 Specifications and preliminary sensitivity analyses of the OECD-NRC liquid metal fast reactor core thermal-hydraulics benchmark

The developments in wire-wrapped fuel bundle thermal-hydraulics research have become increasingly diverse and this makes comparisons across studies difficult. This paper describes an ongoing benchmark that will address this issue by directly comparing computational results with experimental data from two unique wire-wrapped thermal-hydraulic facilities. Preliminary subchannel sensitivity / uncertainty analyses show largely expected behavior for the presented cases, where rod diameter and friction factor show the greatest sensitivities to geometrical perturbations. Guidelines for computational fluid dynamics evaluations have been prepared and highlight the need for consolidated modeling strategies. (authors)

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗