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Results for “Balanced convergence rate”

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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24 records · Page 2
All sourcesNASA NTRSDOE OSTI
DOE OSTI2020

Thermodynamically consistent forward and reverse degrees of rate control in reversible reactions

The net rate of a composite reaction is the difference between the forward and reverse reaction rates, which are kinetically distinct despite sharing elementary reaction steps and therefore have different rate-controlling transition states and species. Thus, degrees of rate control defined to identify rate-controlling transition states and species for the net rate confound contributions from the forward and reverse reactions. Herein, the forward and reverse degrees of rate control are defined to independently quantify the extent that species and transition states control the forward and reverse rates in reversible reactions. These degrees of rate control are defined as the relative change in the forward and reverse reaction rates per k B T decrease in the standard-state molecular free energies of transition states and species, and they are related to experimentally measurable quantities such as steady-state fractional coverages, reaction orders, and energies and entropies of activation of the forward and reverse reaction rates. The forward/reverse degrees of rate control represent stoichiometric coefficients for species and transition states in an equilibrium between the apparent initial states and the apparent transition states of the apparent rate-controlling steps of forward and reverse overall reactions. At equilibrium, the apparent transition states for the forward reaction and reverse reaction converge, and thus the forward and reverse rate-controlling steps combine to form a single apparent rate-controlling step at equilibrium. Here, this apparent rate-controlling step is comprised of an apparent initial state, transition state, and final state, where the apparent final state of the forward reaction is the apparent initial state of the reverse reaction. The apparent rate-controlling step behaves identically to an elementary step reaction at equilibrium with a pseudo-mass-action rate function given by the transition-state-theory (TST) form rate function (Foley and Bhan, 2020) with a stoichiometric number equal to the affinity-averaged stoichiometric number, $\bar{σ}$ The ratio of the forward and reverse TST-form rate functions is identical to the overall thermodynamic equilibrium relation, consistent with the principles of microscopic reversibility and detailed balance at equilibrium.

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DOE OSTI2022

A fourth-order phase-field fracture model: Formulation and numerical solution using a continuous/discontinuous Galerkin method

Modeling crack initiation and propagation in brittle materials is of great importance to be able to predict sudden loss of load-carrying capacity and prevent catastrophic failure under severe dynamic loading conditions. Second-order phase-field fracture models have gained wide adoption given their ability to capture the formation of complex fracture patterns, e.g. via crack merging and branching, and their suitability for implementation within the context of the conventional finite element method. Higher-order phase-field models have also been proposed to increase the regularity of the exact solution and thus increase the spatial convergence rate of its numerical approximation. However, they require special numerical techniques to enforce the necessary continuity of the phase field solution. In this paper, we derive a fourth-order phase-field model of fracture in two independent ways; namely, from Hamilton’s principle and from a higher-order micromechanics-based approach. The latter approach is novel, and provides a physical interpretation of the higher-order terms in the model. In addition, we propose a continuous/discontinuous Galerkin (C/DG) method for use in computing the approximate phase-field solution. This method employs Lagrange polynomial shape functions to guarantee -continuity of the solution at inter-element boundaries, and enforces the required regularity with the aid of additional variational and interior penalty terms in the weak form. Finally, the phase-field equation is coupled with the momentum balance equation to model dynamic fracture problems in hyper-elastic materials. Two benchmark problems are presented to compare the numerical behavior of the C/DG method with mixed finite element methods.

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DOE OSTI2020

Methodology for inferring reactor core power distribution from an optical fiber based gamma thermometer array

Here, a 4-step data analytic methodology has been devised for the purpose of inferring the distribution of power in a reactor core, based on the response of an array of optical fiber based gamma thermometers (OFBGTs). This data analytic methodology is crucial for the development of a system of OFBGTs for the purpose of calibrating local power range monitors in boiling water reactors. Such a system would be an improvement to the present calibration system in boiling water reactors, in terms of safety, efficiency, and permanence. The first step of this methodology is to establish an energy balance method. In this method, one uses MCNP to determine response functions, which allow one to convert from gamma thermometer response to power. The gamma thermometers and the reactor core are segmented, such that each gamma thermometer segment provides an estimate of power for each reactor core segment. The estimates of power for the reactor core segments (hereafter referred to as fuel assembly segments) are calculated based on the measured response of the gamma thermometers. The second step of the methodology is to employ a weighting scheme to combine the estimates of the power of the various fuel assembly segments, based on the response of the various OFGBT segments and the incremental dose rates of the various fuel assembly segments to the OFBGT segments. The third step is to iteratively calculate the estimates of the power of the fuel assembly segments, until a convergence criterion is met, which indicates that the calculation has converged. The fourth and final step of the methodology is to estimate the uncertainty of the power for each fuel assembly segment. The mathematical basis for this step is not the focus of this paper. We have used a 3-D homogeneous reactor model to demonstrate the data analytic methodology; and have found that the data analytic methodology operates as intended.

73 NUCLEAR PHYSICS AND RADIATION PHYSICS↗
DOE OSTI2023

High‐Latitude Stratospheric Aerosol Injection to Preserve the Arctic

Abstract Stratospheric aerosol injection (SAI) has been shown in climate models to reduce some impacts of global warming in the Arctic, including the loss of sea ice, permafrost thaw, and reduction of Greenland Ice Sheet (GrIS) mass; SAI at high latitudes could preferentially target these impacts. In this study, we use the Community Earth System Model to simulate two Arctic‐focused SAI strategies, which inject at 60°N latitude each spring with injection rates adjusted to either maintain September Arctic sea ice at 2030 levels (“Arctic Low”) or restore it to 2010 levels (“Arctic High”). Both simulations maintain or restore September sea ice to within 10% of their respective targets, reduce permafrost thaw, and increase GrIS surface mass balance by reducing runoff. Arctic High reduces these impacts more effectively than a globally focused SAI strategy that injects similar quantities of SO 2 at lower latitudes. However, Arctic‐focused SAI is not merely a “reset button” for the Arctic climate, but brings about a novel climate state, including changes to the seasonal cycles of Northern Hemisphere temperature and sea ice and less high‐latitude carbon uptake relative to SSP2‐4.5. Additionally, while Arctic‐focused SAI produces the most cooling near the pole, its effects are not confined to the Arctic, including detectable cooling throughout most of the northern hemisphere for both simulations, increased mid‐latitude sulfur deposition, and a southward shift of the location of the Intertropical Convergence Zone. For these reasons, it would be incorrect to consider Arctic‐focused SAI as “local” geoengineering, even when compared to a globally focused strategy.

Lee, Walker Raymond↗
DOE OSTI2024

The Impact of Radiative Transfer at Reduced Spectral Resolution in Large‐Eddy Simulations of Convective Clouds

Abstract Many radiative transfer schemes approximate the spectral integration over ∼10 5 to ∼10 6 wavelengths with correlated k ‐distributions methods that typically require only 10 1 –10 2 spectral integration points ( g ‐points). The exact number of g ‐points is then chosen as an optimal balance between computational costs and accuracy, normally assessed in terms of a number of radiative quantities. How this radiative accuracy propagates to simulation accuracy, however, is not straightforward. In this study, we therefore explore the sensitivity of cloud properties in large‐eddy simulations (LES) to the accuracy of radiative fluxes and heating rates. We first generate smaller sets of g ‐points from existing k ‐distributions by repeatedly combining adjacent g ‐points while maintaining the highest possible accuracy on a chosen set of radiative metrics. Next, we perform three sets of LES with varying cloud—radiation coupling pathways, and therefore different requirements for the accuracy of the radiative transfer computations, to investigate how these smaller and thus less accurate k ‐distributions affect simulation characteristics. The decrease in radiative accuracy with 3–4 times smaller k ‐distributions results in biases in cloud properties that are relative small compared to their temporal fluctuations. These results show potential for speeding up radiative transfer computations in cloud‐resolving models by reducing the resolved spectral detail. However, more statistically converged simulations and a wider set of case studies is required to fully assess the robustness of our results.

Meteorology & Atmospheric Sciences↗
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.

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