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At least 577 records · Page 32

Predictive modeling of Néel temperature in austenitic alloys using CALPHAD and data analytics

The Néel temperature is a crucial yet often overlooked parameter in calculating the stacking fault energy (SFE) of austenitic alloys. Several empirical equations have been proposed to estimate the Néel temperature of austenitic alloys, which are then used to calculate the SFE and explain deformation mechanisms. However, these empirical equations, typically derived using linear regression algorithms, are often simplistic and may fail to capture the complex interactions among multiple alloying elements that influence the Néel temperature. Moreover, their applicability is usually limited to specific compositional ranges. In this study, we propose a CALPHAD based approach and develop a surrogate decision tree based regression model capable of capturing the interactions among multiple alloying elements to predict the Néel temperature. Predictions from both the CALPHAD approach and the regression model show close agreement with experimental measurements reported in the literature. In conclusion, the implications of accurate Néel temperature predictions on the calculated SFE and deformation mechanisms are also discussed.

36 MATERIALS SCIENCE↗

RELAP5-3D Input Model for the High Temperature Test Facility

A RELAP5-3D model of the High Temperature Test Facility at Oregon State University has been developed. The model includes the systems, components, and controls needed to perform code assessment calculations using data from the facility. Details of the model are provided. The input was developed for RELAP5-3D Version 4.4.2.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

Measurement of Laser Weld Temperatures for 3D Model Input

Laser welding is a key joining process used extensively in the manufacture and assembly of critical components for several weapons systems. Sandia National Laboratories advances the understanding of the laser welding process through coupled experimentation and modeling. This report summarizes the experimental portion of the research program, which focused on measuring temperatures and thermal history of laser welds on steel plates. To increase confidence in measurement accuracy, researchers utilized multiple complementary techniques to acquire temperatures during laser welding. This data serves as input to and validation of 3D laser welding models aimed at predicting microstructure and the formation of defects and their impact on weld-joint reliability, a crucial step in rapid prototyping of weapons components.

47 OTHER INSTRUMENTATION↗

Multi-water-bag models of ion temperature gradient instability in cylindrical geometry

Ion temperature gradient instabilities play a major role in the understanding of anomalous transport in core fusion plasmas. In the considered cylindrical geometry, ion dynamics is described using a drift-kinetic multi-water-bag model for the parallel velocity dependency of the ion distribution function. In a first stage, global linear stability analysis is performed. From the obtained normal modes, parametric dependencies of the main spectral characteristics of the instability are then examined. Comparison of the multi-water-bag results with a reference continuous Maxwellian case allows us to evaluate the effects of discrete parallel velocity sampling induced by the Multi-Water-Bag model. Differences between the global model and local models considered in previous works are discussed. Using results from linear, quasilinear, and nonlinear numerical simulations, an analysis of the first stage saturation dynamics of the instability is proposed, where the divergence between the three models is examined.

70 PLASMA PHYSICS AND FUSION TECHNOLOGY↗

Crop Model Improvement Reduces the Uncertainty of the Response to Temperature of Multi-Model Ensembles

To improve climate change impact estimates and to quantify their uncertainty, multi-model ensembles (MMEs) have been suggested. Model improvements can improve the accuracy of simulations and reduce the uncertainty of climate change impact assessments. Furthermore, they can reduce the number of models needed in a MME. Herein, 15 wheat growth models of a larger MME were improved through re-parameterization and/or incorporating or modifying heat stress effects on phenology, leaf growth and senescence, biomass growth, and grain number and size using detailed field experimental data from the USDA Hot Serial Cereal experiment (calibration data set). Simulation results from before and after model improvement were then evaluated with independent field experiments from a CIMMYT worldwide field trial network (evaluation data set). Model improvements decreased the variation (10th to 90th model ensemble percentile range) of grain yields simulated by the MME on average by 39% in the calibration data set and by 26% in the independent evaluation data set for crops grown in mean seasonal temperatures greater than 24 C. MME mean squared error in simulating grain yield decreased by 37%. A reduction in MME uncertainty range by 27% increased MME prediction skills by 47%. Results suggest that the mean level of variation observed in field experiments and used as a benchmark can be reached with half the number of models in the MME. Improving crop models is therefore important to increase the certainty of model-based impact assessments and allow more practical, i.e. smaller MMEs to be used effectively.

damage assessment↗

Multiscale-Informed Modeling of High Temperature Component Response with Uncertainty Quantification

This report summarizes a joint effort between Argonne National Laboratory, Idaho National Laboratory, and Los Alamos National Laboratory to develop and deploy constitutive models targeted at predicting the life of Grade 91 alloy components subjected to high temperature environments typical of those that structural components in advanced nuclear reactors would experience. Two distinct, but complementary constitutive modeling approaches have been taken here. The first employs a phenomenological viscoplastic model for which parameters have been calibrated based on experimental data for a wide range of Grade 91 alloy that has undergone a variety of processing. A Bayesian approach was used to derive distributions of uncertain parameters for this model based on this data set. The second approach is a reduced order model suitable for engineering-scale analysis that is based on the results of a large set of mesoscale simulations. Mesoscale models allow for the microstructure and composition of a particular alloy to be directly taken into account in the computation of the viscoplastic response, but are computationally expensive, which makes it impractical to directly call those models for the material constitutive response in an engineering-scale simulation. The reduced-order representation of the response of the underlying model used here allows for an engineering-scale model to take into account the characteristics of the underlying microstructure, while only incurring a reasonable computational expense. Both of these approaches have different strengths, and are applicable for different parts of the design/analysis process. The phenomenological models can be readily parameterized based on a set of experimental data for a given class of materials and used for scoping calculations. Once a specific material is chosen and adequately characterized, the reduced order models can accurately predict the response of that specific alloy, and because the models are based on predictive models of the underlying microstructure, they can be used to more confidently predict the response under conditions in regions where there is limited experimental data. Both of these models have been integrated in the Grizzly code, which is used here to perform proof-of-concept uncertainty quantification analyses of a simple component under prototypical conditions. The built- in stochastic analysis capabilities in the MOOSE framework that Grizzly is built on are used here to run large sets of simulations for this uncertainty quantification analysis. As would be expected, because the reduced order models are developed for a much more tightly defined alloy, they predict tighter distributions of the time to failure than the phenomenological models, which are calibrated to a broader set of data. Also important is that these simulations demonstrate that a reduced order modeling approach can be successfully deployed to propagate uncertainties from the material scale to practical engineering-scale component simulations.

42 ENGINEERING↗

Intermediate Temperature Ceramic Heat Pipe Modeling and Optimization

The intermediate temperature regime of heat pipes, 450-700 K, has not been well characterized due in part to the corrosive nature of many of the working fluids, as well as the poor performance in many conventional metal envelope systems. Spacecraft nuclear electric propulsion, as well as other emerging technologies, can benefit from heat pipes with optimal performance in this intermediate regime. In this work, we have explored halide working fluids coupled with aluminum nitride shells to operate at 500-600 K and interface with a nuclear electric propulsion system. The shells have been additively manufactured and tested to ensure compatibility with the halides. Specifically, AlBr 3 , AlCl 3 , FeCl 3 , and SbBr 3 were selected owing to their higher performance and comparatively safe handling characteristics compared to other intermediate temperature working fluids. The additive manufacturing process enables highly customizable designs that integrate the heat pipe and radiator fin together, optimized for each fluid. We have evaluated the performance limits of such a heat pipe design in order to establish the feasibility of AlBr 3 in particular, and present design that achieves an areal density of 5.2 kg/m 2 and mass per unit heat performance of 0.71 kg/kW. Analysis is ongoing for all working fluids.

thermal management↗

Validation and application of a multiphase CFD model for hydrodynamics, temperature field and RTD simulation in a pilot-scale biomass pyrolysis vapor phase upgrading reactor

Accurate prediction of transport phenomena is critical for VPU reactor design, optimization, and scale-up. The current study focused on the validation and application of a multiphase CFD model within an open-source code MFiX for hydrodynamics, temperature field, and residence time distribution (RTD) simulation in a non-reacting circulating fluidized bed riser for biomass pyrolysis vapor phase upgrading (VPU). First, an Eulerian-Eulerian approach three-dimensional CFD model was employed to simulate the pilot-scale VPU riser on the supercomputer Joule. Excellent quantitative agreement between experimental and simulated results was achieved for pressure drops and temperature field in a range of operating conditions. Then the validated multiphase CFD model was applied to predict gas and solid residence time distributions (RTDs) since prediction and analysis of RTD is an important tool to study the complex multiphase flow behavior and mixing inside chemical reactors. The predictions show that solid mean residence time is 3.5 times the gas residence time; the solid RTD is more sensitive to the process gas flow rate than the solids circulation rate.

09 BIOMASS FUELS↗

SiC JFET Transistor Circuit Model for Extreme Temperature Range

A technique for simulating extreme-temperature operation of integrated circuits that incorporate silicon carbide (SiC) junction field-effect transistors (JFETs) has been developed. The technique involves modification of NGSPICE, which is an open-source version of the popular Simulation Program with Integrated Circuit Emphasis (SPICE) general-purpose analog-integrated-circuit-simulating software. NGSPICE in its unmodified form is used for simulating and designing circuits made from silicon-based transistors that operate at or near room temperature. Two rapid modifications of NGSPICE source code enable SiC JFETs to be simulated to 500 C using the well-known Level 1 model for silicon metal oxide semiconductor field-effect transistors (MOSFETs). First, the default value of the MOSFET surface potential must be changed. In the unmodified source code, this parameter has a value of 0.6, which corresponds to slightly more than half the bandgap of silicon. In NGSPICE modified to simulate SiC JFETs, this parameter is changed to a value of 1.6, corresponding to slightly more than half the bandgap of SiC. The second modification consists of changing the temperature dependence of MOSFET transconductance and saturation parameters. The unmodified NGSPICE source code implements a T(sup -1.5) temperature dependence for these parameters. In order to mimic the temperature behavior of experimental SiC JFETs, a T(sup -1.3) temperature dependence must be implemented in the NGSPICE source code. Following these two simple modifications, the Level 1 MOSFET model of the NGSPICE circuit simulation program reasonably approximates the measured high-temperature behavior of experimental SiC JFETs properly operated with zero or reverse bias applied to the gate terminal. Modification of additional silicon parameters in the NGSPICE source code was not necessary to model experimental SiC JFET current-voltage performance across the entire temperature range from 25 to 500 C.

Neudeck, Philip G.↗

Tree-Based Ensemble Learning Models for Wall Temperature Predictions in Post-Critical Heat Flux Flow Regimes at Subcooled and Low-Quality Conditions

Accurately predicting post-critical heat flux (CHF) heat transfer is an important but challenging task in water-cooled reactor design and safety analysis. Although numerous heat transfer correlations have been developed to predict post-CHF heat transfer, these correlations are only applicable to relatively narrow ranges of flow conditions due to the complex physical nature of the post-CHF heat transfer regimes. In this paper, a large quantity of experimental data is collected and summarized from the literature for steady-state subcooled and low-quality film boiling regimes with water as the working fluid in vertical tubular test sections. In addition, a low-quality water film boiling (LWFB) database is consolidated with a total of 22,813 experimental data points, which cover a wide flow range of the system pressure from 0.1 to 9.0 MPa, mass flux from 25 to 2750 kg/m 2 s, and inlet subcooling from 1 to 70 °C. Two machine learning (ML) models, based on random forest (RF) and gradient boosted decision tree (GBDT), are trained and validated to predict wall temperatures in post-CHF flow regimes. The trained ML models demonstrate significantly improved accuracies compared to conventional empirical correlations. To further evaluate the performance of these two ML models from a statistical perspective, three criteria are investigated and three metrics are calculated to quantitatively assess the accuracy of these two ML models. For the full LWFB database, the root-mean-square errors between the measured and predicted wall temperatures by the GBDT and RF models are 5.7% and 6.2%, respectively, confirming the accuracy of the two ML models.

22 GENERAL STUDIES OF NUCLEAR REACTORS↗

String-based model with Hagedorn temperature of 𝑇 𝐻 ∼ 300 MeV describes the spectrum of mesons and glueballs

We consider the thermodynamics of a color-confined phase of quantum chromodynamics (QCD) and pure gauge theory within a string-inspired corresponding to a physical spatial dimension, 𝑑 = 3. We show that the physical mass spectrum of massive mesons—in both the strange and nonstrange sectors separately—is reasonably well described and extended by the exponential mass spectrum of open strings, 𝜌⁡(𝑚), characterized by a unique Hagedorn temperature 𝑇 𝐻 = $\sqrt3⁢𝜎/2⁢𝜋$, expressed by the string tension 𝜎. This 𝑇 𝐻 is the value appropriate for 𝑑 = 3 spatial dimensions and is of the order of 𝑇 𝐻 ∼ 300 MeV for typical values of the string tension. It is much larger than the values of 𝑇 𝐻 which have been phenomenologically extracted so far to describe the meson spectrum. Glueball states in pure gauge theory, modeled by closed strings, exhibit a similarly large Hagedorn temperature, highlighting a universal feature of the exponential spectrum. We further analyze the thermodynamic properties of the equation of state at finite temperature and demonstrate that, in the confined phase, the string models agree with lattice QCD results. This lends further support to the recent interpretation of the QCD phase diagram that incorporates strings as relevant degrees of freedom.

Phase transitions↗

Interactive initialization of heat flux parameters for numerical models using satellite temperature measurements

A method for obtaining patterns of moisture availability (and net evaporation) from satellite infrared measurements employs Carlson's boundary layer model and a variety of image processing routines executed by a minicomputer. To test the method with regard to regional scale moisture analyses, two case studies were chosen because of the availability of HCMM data and because of the presence of a large horizontal gradient in antecedent precipitation and crp moisture index. Results show some correlation in both cases between antecedent precipitation and derived moisture availability. Apparently, regional-scale moisture availability patterns can be determined with some degree of fidelity but the values themselves may be useful only in the relative sense and significant to within plus or minus one category of dryness over a range of 4 or 5 categories between absolutely dry and field saturation. Preliminary results suggest that the derived moisture values correlate best with longer-term precipitation totals, suggesting that the infrared temperatures respond more sensitively to a relatively deep substrate layer.

Carlson, T. N.↗

On finite element implementation and computational techniques for constitutive modeling of high temperature composites

The research work performed during the past year on finite element implementation and computational techniques pertaining to high temperature composites is outlined. In the present research, two main issues are addressed: efficient geometric modeling of composite structures and expedient numerical integration techniques dealing with constitutive rate equations. In the first issue, mixed finite elements for modeling laminated plates and shells were examined in terms of numerical accuracy, locking property and computational efficiency. Element applications include (currently available) linearly elastic analysis and future extension to material nonlinearity for damage predictions and large deformations. On the material level, various integration methods to integrate nonlinear constitutive rate equations for finite element implementation were studied. These include explicit, implicit and automatic subincrementing schemes. In all cases, examples are included to illustrate the numerical characteristics of various methods that were considered.

Saleeb, A. F.↗