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NASA NTRS1998

Deterministic Multiaxial Creep and Creep Rupture Enhancements for CARES/Creep Integrated Design Code

High temperature and long duration applications of monolithic ceramics can place their failure mode in the creep rupture regime. A previous model advanced by the authors described a methodology by which the creep rupture life of a loaded component can be predicted. That model was based on the life fraction damage accumulation rule in association with the modified Monkman-Grant creep rupture criterion. However, that model did not take into account the deteriorating state of the material due to creep damage (e.g., cavitation) as time elapsed. In addition, the material creep parameters used in that life prediction methodology, were based on uniaxial creep curves displaying primary and secondary creep behavior, with no tertiary regime. The objective of this paper is to present a creep life prediction methodology based on a modified form of the Kachanov-Rabotnov continuum damage mechanics (CDM) theory. In this theory, the uniaxial creep rate is described in terms of sum, temperature, time, and the current state of material damage. This scalar damage state parameter is basically an abstract measure of the current state of material damage due to creep deformation. The damage rate is assumed to vary with stress, temperature, time, and the current state of damage itself. Multiaxial creep and creep rupture formulations of the CDM approach are presented in this paper. Parameter estimation methodologies based on nonlinear regression analysis are also described for both, isothermal constant stress states and anisothermal variable stress conditions This creep life prediction methodology was preliminarily added to the integrated design code CARES/Creep (Ceramics Analysis and Reliability Evaluation of Structures/Creep), which is a postprocessor program to commercially available finite element analysis (FEA) packages. Two examples, showing comparisons between experimental and predicted creep lives of ceramic specimens, are used to demonstrate the viability of Ns methodology and the CARES/Creep program.

Jadaan, Osama M.↗

NASA NTRS1998

Deterministic and Probabilistic Creep and Creep Rupture Enhancement to CARES/Creep: Multiaxial Creep Life Prediction of Ceramic Structures Using Continuum Damage Mechanics and the Finite Element Method

High temperature and long duration applications of monolithic ceramics can place their failure mode in the creep rupture regime. A previous model advanced by the authors described a methodology by which the creep rupture life of a loaded component can be predicted. That model was based on the life fraction damage accumulation rule in association with the modified Monkman-Grant creep ripture criterion However, that model did not take into account the deteriorating state of the material due to creep damage (e.g., cavitation) as time elapsed. In addition, the material creep parameters used in that life prediction methodology, were based on uniaxial creep curves displaying primary and secondary creep behavior, with no tertiary regime. The objective of this paper is to present a creep life prediction methodology based on a modified form of the Kachanov-Rabotnov continuum damage mechanics (CDM) theory. In this theory, the uniaxial creep rate is described in terms of stress, temperature, time, and the current state of material damage. This scalar damage state parameter is basically an abstract measure of the current state of material damage due to creep deformation. The damage rate is assumed to vary with stress, temperature, time, and the current state of damage itself. Multiaxial creep and creep rupture formulations of the CDM approach are presented in this paper. Parameter estimation methodologies based on nonlinear regression analysis are also described for both, isothermal constant stress states and anisothermal variable stress conditions This creep life prediction methodology was preliminarily added to the integrated design code CARES/Creep (Ceramics Analysis and Reliability Evaluation of Structures/Creep), which is a postprocessor program to commercially available finite element analysis (FEA) packages. Two examples, showing comparisons between experimental and predicted creep lives of ceramic specimens, are used to demonstrate the viability of this methodology and the CARES/Creep program.

Jadaan, Osama M.↗

DOE OSTI2021

ARC Software Validation Work for the FFTF Reactor

Extensive efforts have been carried out at ANL for the verification and validation of the Argonne Reactor Codes (ARC) software package currently used for the design of Versatile Test Reactor (VTR). The ARC software package consists of steady state neutronics and thermal hydraulics modeling capabilities which are being used by the VTR program to develop most of the VTR reactor design details which will be part of the licensing application. It is anticipated that this software will continue to be used for the design work and for initial operations although additional software may be introduced at a later time. The validation work was focused primarily on obtaining validation data consistent with VTR and usable for the ARC software. Because no critical facilities or operating fast spectrum reactors are available to do experiments for the VTR, the next best option is to identify historical experimental data that can be used as validation data. Early on in VTR, the ZPPR-15 set of experiments was identified as good validation data because of 1) the availability and quality of the data, 2) existing staff that are already familiar with the experimental machine and measurements, 3) most of the ZPPR-15 loadings of interest have already been processed into ARC models, and 4) a full uncertainty quantification has already been done for several loadings of ZPPR-15. The FFTF startup and operations data was identified as the most consistent reactor type that has validation data usable for VTR. Finally, the EBR-II fuel depletion measurements were identified as the best available validation data for VTR. It is important to note that both the FFTF and EBR-II reactors typically come with higher uncertainties than the ZPPR. In the frame of the discussed verification and validation efforts, the present document discusses the analysis of selected FFTF measurements included in the benchmark specifications of the International Reactor Physics Experiment (IRPhE) handbook. The FFTF reactor core configurations from the benchmark specification are presented in Section 2. The analysis is performed with the use of the ARC code suite available at ANL for fast reactor studies and is discussed in Section 3. The reactor parameters from the benchmark include criticality, neutron spectra, effective delayed neutron spectra, control rod worth, isothermal temperature coefficient and low energy gamma-ray spectra. The calculated values and the comparison with the experimental data is discussed in Sections 4 to 9 for each considered reactor parameter. Finally, conclusions are presented in Section 10.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

NASA NTRS2004

Windows(Registered Trademark)-Based Software Models Cyclic Oxidation Behavior

Oxidation of high-temperature aerospace materials is a universal issue for combustion-path components in turbine or rocket engines. In addition to the question of the consumption of material due to growth of protective scale at use temperatures, there is also the question of cyclic effects and spallation of scale on cooldown. The spallation results in the removal of part of the protective oxide in a discontinuous step and thereby opens the way for more rapid oxidation upon reheating. In experiments, cyclic oxidation behavior is most commonly characterized by measuring changes in weight during extended time intervals that include hundreds or thousands of heating and cooling cycles. Weight gains occurring during isothermal scale-growth processes have been well characterized as being parabolic or nearly parabolic functions of time because diffusion controls reaction rates. In contrast, the net weight change in cyclic oxidation is the sum of the effects of the growth and spallation of scale. Typically, the net weight gain in cyclic oxidation is determined only empirically (that is, by measurement), with no unique or straightforward mathematical connection to either the rate of growth or the amount of metal consumed. Thus, there is a need for mathematical modeling to infer spallation mechanisms. COSP is a computer program that models the growth and spallation processes of cyclic oxidation on the basis of a few elementary assumptions that were discussed in COSP: A Computer Model of Cyclic Oxidation, Oxidation of Metals, vol. 36, numbers 1 and 2, 1991, pages 81-112. Inputs to the model include the selection of an oxidation-growth law and a spalling geometry, plus oxide-phase, growth-rate, cycle-duration, and spall-constant parameters. (The spalling fraction is often shown to be a constant factor times the existing amount of scale.) The output of COSP includes the net change in weight, the amounts of retained and spalled oxide, the total amounts of oxygen and metal consumed, and the terminal rates of weight loss and metal consumption.

Smialek, J. L.↗

DOE OSTI2025

Adsorptive behavior of poly (vinylidene fluoride) membranes for the recovery of lignin-derived hydrophobic deep eutectic solvents

Abstract Recently, membrane technology has gained significant traction as an energy-efficient alternative to traditional thermal processes for solvent recovery. Deep eutectic solvents (DESs) have emerged as sustainable alternatives to conventional organic solvents, yet a systematic methodology for selecting compatible membrane materials for their recovery remains underdeveloped. This study established a predictive framework for membrane material selection in hydrophobic DES applications using Hansen Solubility Parameters (HSP) with inverted criteria targeting materials with relative energy difference (RED) values greater than 1.0. Flat sheet membranes were fabricated via the non-solvent induced phase separation (NIPS) technique. Four NIPS fabricated polymer membranes were evaluated: polysulfone, cellulose acetate, polyvinylidene fluoride (PVDF) fabricated with polyethylene glycol (PEG) as a pore-forming agent, and polybenzimidazole (PBI). The HSP approach successfully predicted membrane-solvent compatibility, with polysulfone (RED = 0.6) and cellulose acetate (RED = 0.9) dissolving completely within 24 h, while PVDF (RED = 1.9) and PBI (RED = 1.1) maintained structural integrity throughout a 7-day exposure period. Furthermore, PVDF demonstrated superior performance with minimal weight gain (3.0%), hydrophobic surface characteristics (122° water contact angle), and enhanced mechanical properties following DES exposure. Comprehensive chemical and morphological characterization confirmed PVDF’s chemical stability and revealed a surface-selective interaction mechanism involving simultaneous PEG (pore-forming agent) extraction and DES component adsorption. Adsorption kinetics followed pseudo-first-order behavior with reversible characteristics, best described by the Temkin isotherm model (R² = 0.9987). PVDF membranes-maintained separation functionality with average lignin rejection (75.2 ± 7.69%) and demonstrated filtration permeability of 2.0 ± 0.34 LMH/bar. This methodology provides a rational approach for membrane selection in emerging solvent systems, contributing to the advancement of sustainable separation technologies for DES-based biomass processing applications.

Science & Technology - Other Topics↗

NASA NTRS1999

Magnetic Damping of Solid Solution Semiconductor Alloys

The objective of this study is to: (1) experimentally test the validity of the modeling predictions applicable to the magnetic damping of convective flows in electrically conductive melts as this applies to the bulk growth of solid solution semiconducting materials; and (2) assess the effectiveness of steady magnetic fields in reducing the fluid flows occurring in these materials during processing. To achieve the objectives of this investigation, we are carrying out a comprehensive program in the Bridgman and floating-zone configurations using the solid solution alloy system Ge-Si. This alloy system has been studied extensively in environments that have not simultaneously included both low gravity and an applied magnetic field. Also, all compositions have a high electrical conductivity, and the materials parameters permit reasonable growth rates. An important supporting investigation is determining the role, if any, that thermoelectromagnetic convection (TEMC) plays during growth of these materials in a magnetic field. TEMC has significant implications for the deployment of a Magnetic Damping Furnace in space. This effect will be especially important in solid solutions where the growth interface is, in general, neither isothermal nor isoconcentrational. It could be important in single melting point materials, also, if faceting takes place producing a non-isothermal interface. In conclusion, magnetic fields up to 5 Tesla are sufficient to eliminate time-dependent convection in silicon floating zones and possibly Bridgman growth of Ge-Si alloys. In both cases, steady convection appears to be more significant for mass transport than diffusion, even at 5 Tesla in the geometries used here. These results are corroborated in both growth configurations by calculations.

Szofran, Frank R.↗

DOE OSTI2023

A redox model for NO oxidation, NH 3 oxidation and high temperature standard SCR over Cu-SSZ-13

A kinetic model is developed to predict the influence of temperature and hydrothermal aging on the redox of active Cu sites under standard SCR, NO oxidation and NH 3 oxidation conditions over a practically relevant fully-formulated Cu-SSZ-13 catalyst. NO 2 /N 2 production during NO/NH 3 titration of Cu II sites is utilized to identify rate parameters associated with NO-only RHC (reduction half cycle) and NH 3 -only RHC respectively. Integral N 2 formation during subsequent NO + NH 3 titration is consistent with the production of one NO 2 per two CuII sites reduced during NO-only RHC and one N 2 per six Cu II sites reduced during NH 3 -only RHC. Decreased reduction of Cu II sites by NO/NH 3 upon hydrothermal aging, along with the production of one NO 2 per two CuII sites during NO-only RHC, is accordant with the involvement of proximal ZCuOH and oxygen-bridged dimeric Cu II sites. Oxidation of partially solvated and framework coordinated ZCu (Cu I ) sites occurs in presence of O 2 , does not produce N 2 and can lead to the consumption of Brønsted acid sites. A global OHC kinetic model is developed to predict transient and integral N 2 formation during exposure of CuI sites to a mixture of NO and O 2 . The resulting redox kinetic model quantitatively predicts NO and NH 3 consumption during isothermal transient response Cu redox (TRCR) protocols, along with temperature and age dependent steady-state standard SCR and oxidation conditions. The redox model presented in this work synthesizes recent kinetic, spectroscopic and computational findings to provide a foundational description of active site redox during standard SCR, NO oxidation and NH3 oxidation over Cu-SSZ-13.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

DOE OSTI2020

Performance evaluation of an air conditioning system based on quasi isothermal dehumidifcation

This work presents a first study of novel air conditioning system based on quasi isothermal dehumidification combined with dew-point evaporative cooling through the Maisotsenko cycle (M-Cycle). The dehumidification process is realized in desiccant coated heat exchanger with heat rejection system. The key idea behind the solution is to maximize the cooling effectiveness by creating favourable conditions for dehumidification and evaporative cooling process. This is achieved by rejecting the heat of sorption in the desiccant system and providing cold and dry air for M-Cycle air cooler, which allows the system to be powered by using low-grade heat energy at 50 °C. The analysis is performed on the basis of experimentally validated numerical models of each component combined in a unified model of the system. The goal of the study is to determine the performance of the solution under different operational conditions. In addition two types of M-Cycle air coolers (i.e. cross-flow and regenerative unit) are compared to establish which unit is more suitable as the source of cooling energy for the system. It was established that proposed system is able to provide comfortable room parameters (supply air temperature equal 17 °C and humidity ratio equal 0.010 kg/kg-da) for outdoor air temperatures ranging from 28 to 36 °C and outdoor air humidity ranging from 0.010 to 0.018 kg/kg-da. This means that the proposed solution is able to provide comfortable conditions in temperate and humid climates. Results also indicate that the system consisting of the regenerative M-Cycle HMX allows better cooling load management, offers higher thermal Coefficient of Performance (COP th ) and uses less water compared to the system with the cross-flow HMX. However, the system with cross-flow heat and mass exchanger (HMX) has a relatively greater electrical Coefficient of Performance (COP el ) in most cases.

32 ENERGY CONSERVATION, CONSUMPTION, AND UTILIZATI↗

NASA NTRS1987

Water binding in legume seeds

The physical status of water in seeds has a pivotal role in determining the physiological reactions that can take place in the dry state. Using water sorption isotherms from cotyledon and axis tissue of five leguminous seeds, the strength of water binding and the numbers of binding sites have been estimated using van't Hoff analyses and the D'Arcy/Watt equation. These parameters of water sorption are calculated for each of the three regions of water binding and for a range of temperatures. Water sorption characteristics are reflective of the chemical composition of the biological materials as well as the temperature at which hydration takes place. Changes in the sorption characteristics with temperature and hydration level may suggest hydration-induced structural changes in cellular components.

NASA Discipline Plant Biology↗

NASA NTRS2013

The W-W02 Oxygen Fugacity Buffer at High Pressures and Temperatures: Implications for f02 Buffering and Metal-silicate Partitioning

Oxygen fugacity (fO2) controls multivalent phase equilibria and partitioning of redox-sensitive elements, and it is important to understand this thermodynamic parameter in experimental and natural systems. The coexistence of a metal and its oxide at equilibrium constitutes an oxygen buffer which can be used to control or calculate fO2 in high pressure experiments. Application of 1-bar buffers to high pressure conditions can lead to inaccuracies in fO2 calculations because of unconstrained pressure dependencies. Extending fO2 buffers to pressures and temperatures corresponding to the Earth's deep interior requires precise determinations of the difference in volume (Delta) V) between the buffer phases. Synchrotron x-ray diffraction data were obtained using diamond anvil cells (DAC) and a multi anvil press (MAP) to measure unit cell volumes of W and WO2 at pressures and temperatures up to 70 GPa and 2300 K. These data were fitted to Birch-Murnaghan 3rd-order thermal equations of state using a thermal pressure approach; parameters for W are KT = 306 GPa, KT' = 4.06, and αKT = 0.00417 GPa K-1. Two structural phase transitions were observed for WO2 at 4 and 32 GPa with structures in P21/c, Pnma and C2/c space groups. Equations of state were fitted for these phases over their respective pressure ranges yielding the parameters KT = 190, 213, 300 GPa, KT' = 4.24, 5.17, 4 (fixed), and αKT = 0.00506, 0.00419, 0.00467 GPa K-1 for the P21/c, Pnma and C2/c phases, respectively. The W-WO2 buffer (WWO) was extended to high pressure by inverting the W and WO2 equations of state to obtain phase volumes at discrete pressures (1-bar to 100 GPa, 1 GPa increments) along isotherms (300 to 3000K, 100 K increments). The slope of the absolute fO2 of the WWO buffer is positive with increasing temperature up to approximately 70 GPa and is negative above this pressure. The slope is positive along isotherms from 1000 to 3000K with increasing pressure up to at least 100 GPa. The WWO buffer is at a higher fO2 than the IW buffer at pressures lower than 40 GPa, and the magnitude of this difference decreases at higher pressures. This qualitatively indicates an increasingly lithophile character for W at higher pressures. The WWO buffer was quantitatively applied to W metal-silicate partitioning by using the WWO-IW buffer difference in combination with literature data on W metal-silicate partitioning to model the exchange coefficient (KD) for the Fe-W exchange reaction. This approach captures the pressure dependence of W metal-silicate partitioning using the WWO-IW buffer difference and models the activities of the components in the silicate and metallic phases using an expression of the Gibbs excess energy of mixing. Calculation of KD along a peridotite liquidus predicts a decrease in W siderophility at higher pressures that supports the qualitative behavior predicted by the WWO-IW buffer difference, and agrees with findings of others. Comparing the competing effects of temperature and pressure on W metal-silicate partitioning, our results indicate that pressure exerts a greater effect.

Shofner, G. A.↗

NASA NTRS1994

Factors affecting the estimate of primary production from space

Remote sensing of primary production in the euphotic zone has been based mostly on visible-band and water-leaving radiance measured with the coastal zone color scanner. There are some robust, simple relationships for calculating integral production based on surface measurements, but they also require knowledge for photoadaptive parameters such as maximum photosynthesis which currently cannot be obtained from spave. A 17,000-station data set is used to show that space-based estimates of maximum photosynthesis could improve predictions of psi, the water column light utiliztion index, which is an important term in many primary productivity models. Temperature is also examined as a factor for predicting hydrographic structure and primary production. A simple model is used to relate temperature and maximum photosynthesis; the model incorporates (1) the positive relationship between maximum photosynthesis and temperature and (2) the strongly negative relationship between temperature and nitrate in the ocean (which directly affects maximum growth rates via nitrogen limitation). Since these two factors relate to carbon and nitrogen, 'balanced carbon/nitrogen assimilation' was calculated using the Redfield ratio, It is expected that the relationship between maximum balanced carbon assimilation versus temperature is concave-down, with the peak dependent on nitrate uptake kinetics, temperature-nitrate relationships,a nd the carbon chlorophyll ration. These predictions were compared with the sea truth data. The minimum turnover time for nitrate was also calculated using this approach. Lastly, sea surface temperature gradients were used to predict the slope of isotherms (a proxy for the slope of isopycnals in many waters). Sea truth data show that at size scales of several hundred kilometers, surface temperature gradients can provide information on the slope of isotherms in the top 200 m of the water column. This is directly relevant to the supply of nutrients into the surface mixed layer, which is useful for predicting integral biomass and primary production.

Balch, W. M.↗

DOE OSTI2021

Numerical Modeling of CO2 Sequestration within a Five-Spot Well Pattern in the Morrow B Sandstone of the Farnsworth Hydrocarbon Field: Comparison of the TOUGHREACT, STOMP-EOR, and GEM Simulators

The objectives of this study were (1) to assess the fate and impact of CO2 injected into the Morrow B Sandstone in the Farnsworth Unit (FWU) through numerical non-isothermal reactive transport modeling, and (2) to compare the performance of three major reactive solute transport simulators, TOUGHREACT, STOMP-EOR, and GEM, under the same input conditions. The models were based on a quarter of a five-spot well pattern where CO2 was injected on a water-alternating-gas schedule for the first 25 years of the 1000 year simulation. The reservoir pore fluid consisted of water with or without petroleum. The results of the models have numerous broad similarities, such as the pattern of reservoir cooling caused by the injected fluids, a large initial pH drop followed by gradual pH neutralization, the long-term persistence of an immiscible CO2 gas phase, the continuous dissolution of calcite, very small decreases in porosity, and the increasing importance over time of carbonate mineral CO2 sequestration. The models differed in their predicted fluid pressure evolutions; amounts of mineral precipitation and dissolution; and distribution of CO2 among immiscible gas, petroleum, formation water, and carbonate minerals. The results of the study show the usefulness of numerical simulations in identifying broad patterns of behavior associated with CO2 injection, but also point to significant uncertainties in the numerical values of many model output parameters.

STOMP↗

NASA NTRS1998

Magnetic Damping of Solid Solution Semiconductor Alloys

The objective of this study is to conduct the Earth-based research sufficient to successfully propose a flight experiment (1) to experimentally test the validity of the modeling predictions applicable to the magnetic damping of convective flows in conductive melts as this applies to the bulk growth of solid solution semiconducting materials in the reduced gravitational levels available in low Earth orbit and (2) to assess the effectiveness of steady magnetic fields in reducing the fluid flows occurring in these materials during space processing. To achieve the objectives of this investigation, we are carrying out a comprehensive program in the Bridgman and floating-zone configurations using the solid solution alloy system Ge-Si. This alloy system was chosen because it has been studied extensively in environments that have not simultaneously included both low gravity and an applied magnetic field. Also, all compositions have a high electrical conductivity, and the materials parameters permit high growth rates compared to many other commonly studied alloy semiconductors. An important supporting investigation is determining the role, if any, that thermoelectromagnetic convection (TEMC) plays during growth of these materials in a magnetic field. Some compositional anomalies observed by us in magnetic grown crystals can only be explained by TEMC; this has significant implications for the deployment of a Magnetic Damping Furnace in space. This effect will be especially important in solid solutions where the growth interface is, in general, neither isothermal nor isoconcentrational. It could be important in single melting point materials, also, if faceting takes place producing a non-isothermal interface.

Szofran, Frank R.↗

NASA NTRS1991

Differential continuum damage mechanics models for creep and fatigue of unidirectional metal matrix composites

Three multiaxial isothermal continuum damage mechanics models for creep, fatigue, and creep/fatigue interaction of a unidirectional metal matrix composite volume element are presented, only one of which will be discussed in depth. Each model is phenomenological and stress based, with varying degrees of complexity to accurately predict the initiation and propagation of intergranular and transgranular defects over a wide range of loading conditions. The development of these models is founded on the definition of an initially transversely isotropic fatigue limit surface, static fracture surface, normalized stress amplitude function and isochronous creep damage failure surface, from which both fatigue and creep damage evolutionary laws can be obtained. The anisotropy of each model is defined through physically meaningful invariants reflecting the local stress and material orientation. All three transversely isotropic models have been shown, when taken to their isotropic limit, to directly simplify to previously developed and validated creep and fatigue continuum damage theories. Results of a nondimensional parametric study illustrate (1) the flexibility of the present formulation when attempting to characterize a large class of composite materials, and (2) its ability to predict anticipated qualitative trends in the fatigue behavior of unidirectional metal matrix composites. Additionally, the potential for the inclusion of various micromechanical effects (e.g., fiber/matrix bond strength, fiber volume fraction, etc.), into the phenomenological anisotropic parameters is noted, as well as a detailed discussion regarding the necessary exploratory and characterization experiments needed to utilize the featured damage theories.

Arnold, S. M.↗

DOE OSTI2024

Phase-field modeling of stored-energy-driven grain growth with intra-granular variation in dislocation density

Abstract We present a phase-field (PF) model to simulate the microstructure evolution occurring in polycrystalline materials with a variation in the intra-granular dislocation density. The model accounts for two mechanisms that lead to the grain boundary migration: the driving force due to capillarity and that due to the stored energy arising from a spatially varying dislocation density. In addition to the order parameters that distinguish regions occupied by different grains, we introduce dislocation density fields that describe spatial variation of the dislocation density. We assume that the dislocation density decays as a function of the distance the grain boundary has migrated. To demonstrate and parameterize the model, we simulate microstructure evolution in two dimensions, for which the initial microstructure is based on real-time experimental data. Additionally, we applied the model to study the effect of a cyclic heat treatment (CHT) on the microstructure evolution. Specifically, we simulated stored-energy-driven grain growth during three thermal cycles, as well as grain growth without stored energy that serves as a baseline for comparison. We showed that the microstructure evolution proceeded much faster when the stored energy was considered. A non-self-similar evolution was observed in this case, while a nearly self-similar evolution was found when the microstructure evolution is driven solely by capillarity. These results suggest a possible mechanism for the initiation of abnormal grain growth during CHT. Finally, we demonstrate an integrated experimental-computational workflow that utilizes the experimental measurements to inform the PF model and its parameterization, which provides a foundation for the development of future simulation tools capable of quantitative prediction of microstructure evolution during non-isothermal heat treatment.

Materials Science↗

DOE OSTI2024

SAM Code Enhancements for Modeling of Liquid Metal-Cooled Fast Reactor Concepts

The SAM code is under development and supported by DOE-NE’s Nuclear Energy Advanced Modeling and Simulation program as a modern system-level modeling and simulation tool for advanced non-light water reactor safety analyses. These advanced reactor concepts incorporate novel and improved approaches to achieve safety and economic feasibility. This report summarizes two major efforts in addressing the modeling gaps in SAM for liquid-metal-cooled fast reactor (LMFR) applications, i.e. thermal mixing and stratification phenomena in large pools and corrosion-oxidation of components in flowing lead. A new one-dimensional model for thermal mixing and stratification effects in large pools and enclosures is developed and implemented. Thermal mixing and stratification occur when fluid enters a pool at a temperature different than the bulk fluid itself, a scenario often encountered during transients in pool-type systems. These phenomena are critical for the safety of reactors, impacting phenomena like natural circulation, which is essential for passive cooling. The improved model in SAM addresses limitations of state-of-the-art approaches by combining one-dimensional (1D) channels, representing the coolant jet flow, with lumped-parameter zero-dimensional (0D) pools, representing the rest of coolant in the tank. Energy exchange between the 1D jet and the 0D pools is based on heat transfer correlations calibrated against 3D simulations. It is verified that this model can handle various flow configurations, including hot jets in colder pools, cold jets in hotter pools, and the presence of features like ceilings, free surfaces, and obstacles. Additionally, validation against experimental data demonstrates the ability of the model to capture mixing and stratification effects in a wide range of conditions. The flexibility and improved accuracy of the new model make it a valuable tool for reactor safety analysis, allowing for the simulation of different geometries encountered in advanced reactors. A system-level corrosion modeling capability is developed and implemented in SAM to support Lead Fast Reactor (LFR) development. Although the initial focus of this capability will be on LFR application, this can later be expanded to include other liquid metals such as Lead-Bismuth Eutectic (LBE) and PbLi. This report summarizes the common corrosion mitigation strategies and outlines the progress on implementing and validating a corrosion-oxidation model in SAM. Verification and validation of the corrosion-oxidation portion of the model was performed using analytical solution and measured data from samples tested in the non-isothermal pumped lead loop at IPPE Obninsk. The iron transport and corrosion/precipitation portion of the model was assessed using an analytical model and measured corrosion depths from a natural convection lead loop experiment performed at CEA. It is demonstrated that the model implemented in SAM performed well in these assessments.

21 SPECIFIC NUCLEAR REACTORS AND ASSOCIATED PLANTS↗

NASA NTRS1999

The Isothermal Dendritic Growth Experiment (IDGE)

The Isothermal Dendritic Growth Experiment (IDGE) constituted a series of three NASA-supported microgravity experiments, all of which flew aboard the space shuttle, Columbia. This experimental space flight series was designed and operated to grow and record dendrite solidification in the absence of gravity-induced convective heat transfer, and thereby produce a wealth of benchmark-quality data for testing solidification scaling laws. The data and analysis performed on the dendritic growth speed and tip size in Succinontrie (SCN) demonstrates that although the theory yields predictions that are reasonably in agreement with experiment, there are significant discrepancies. However, some of these discrepancies can be explained by accurately describing the diffusion of heat. The key finding involves recognition that the actual three-dimensional shape of dendrites includes time-dependent side-branching and a tip region that is not a paraboloid of revolution. Thus, the role of heat transfer in dendritic growth is validated, with the caveat that a more realistic model of the dendrite then a paraboloid is needed to account for heat flow in an experimentally observed dendrite. We are currently conducting additional analysis to further confirm and demonstrate these conclusions. The data and analyses for the growth selection physics remain much less definitive. From the first flight, the data indicated that the selection parameter, sigma*, is not exactly a constant, but exhibits a slight dependence on the supercooling. Additional data from the second flight are being examined to investigate the selection of a unique dendrite speed, tip size and shape. The IDGE flight series is now complete. We are currently completing analyses and moving towards final data archiving. It is gratifying to see that the IDGE published results and archived data sets are being used actively by other scientists and engineers. In addition, we are also pleased to report that the techniques and IDGE hardware system that the authors developed with NASA, are being currently employed on both designated flight experiments, like EDSE, and on flight definition experiments, like TDSE.

Glicksman, Martin E.↗

NASA NTRS1993

Near-surface temperature gradients and their effects on thermal-infrared emission spectra of particulate planetary surfaces

The infrared energy emitted from a planetary surface is generated within a finite depth determined by the material's absorption skin depth. This parameter varies significantly with wavelength in the infrared but has an average value of around 50 microns for most geologic materials. In solid rock, heat transfer is efficient enough so that this 50 micron zone of the near surface from which the radiation emanates will be more or less isothermal. In particulate materials, however, heat transfer is more complicated and occurs via a combination of mechanisms, including solid conduction within grains and across grain contacts, conduction through the interstitial gas, and thermal radiation within individual particles and across the void spaces in between grains. On planets with substantial atmospheres, the gas component dominates the heat transfer and tends to mitigate near-surface thermal gradients. However, on airless bodies, the gas component is absent and heat transfer occurs via solid conductions and radiation. If the particles are small relative to the average absorption skin depth, then the top 50-100 microns or so of the surface will be cooled by radiation to space allowing the creation of significant near-surface thermal gradients. In those regions of the spectrum where the absorption coefficient is low, the emission will come from the deeper, warmer parts of the medium, whereas in regions of high absorption, the emission will emanate from shallower, cooler parts of the medium. The resulting emission spectrum will show non-compositional features as a result of the thermal structure in the material. We have modeled the heat transfer in a particulate medium in order to determine the magnitude of near-surface thermal gradients for surfaces on airless bodies and on Mars. We use the calculated thermal structure to determine the effects it has on the infrared emission spectrum of the surface.

Henderson, B. G.↗