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At least 883 records · Page 49

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DOE OSTI2024

Multidimensional modeling of fuel-cladding friction in an LWR fuel rod

Solving finite element problems with friction often increases the level of difficulty to obtain properly converged solutions. This type of challenge becomes more salient when advanced, possibly multiscale, material models are employed to capture the thermomechanical behavior of fuel and cladding materials. Here the present work details our recent developments in a nuclear fuel performance finite element code for the systematic consideration of friction in nuclear reactor finite element simulations. We show the application of friction and its effects on the mechanics of light-water reactor rods accounting for various fuel constitutive modeling techniques, model dimensionalities, pellet assumed geometries, and power conditions. In particular, we focus on the fuel rod mechanical behavior as it relates to fuel constitutive models, sensitivity to the coefficient of friction, pellet states of stress, and rod elongation. We discuss the trade-offs between the various multidimensional modeling options and highlight the relevance of frictional effects in the prediction of the fuel rod deformation and interfacial stresses. To relate our modeling results with actual reactor operation, simulations including frictional effects are compared with fuel rod elongation experimental data and some challenges for carrying out a full validation of the axial mechanics are discussed.

42 ENGINEERING↗

NASA NTRS1994

A spectral formalism for computing three-dimensional deformations due to surface loads. 2: Present-day glacial isostatic adjustment

Using a spherically symmetric, self-gravitating, linear viscoelastic Earth model, we predict present-day three-dimensional surface deformation rates and baseline evolutions arising as a consequence of the late Pleistocene glacial cycles. In general, we use realistic models for the space-time geometry of the final late Pleistocene deglaciation event and incorporate a gravitationally self-consistent ocean meltwater redistribution. The predictions of horizontal velocity presented differ significantly, in both their amplitude and their spatial variation, from those presented in earlier analysis of others which adopted simplified models of both the late Pleistocene ice history and the Earth rheology. An important characteristic of our predicted velocity fields is that the melting of the Laurentide ice sheet over Canada is capable of contributing appreciably to the adjustment in Europe. The sensitivity of the predictions to variations in mantle rheology is investigated by considering a number of different Earth models, and by computing appropriate Frechet kernels. These calculations suggest that the sensitivity of the deformations to the Earth's rheology is significant and strongly dependent on the location of the site relative to the ancient ice sheet. The effects on the predictions of three-dimensional deformation rates of altering the ice history or adopting approximate models for the ocean meltwater redistribution have also been considered and found to be important (the former especially so). Finally, for a suite of Earth models we provide predictions of the velocity of a number of baselines in North America and Europe. We find that, in general, both radial and tangential motions contribute significantly to baseline length changes, and that these contributions are a strong function of the Earth model. We have, furthermore, found a set of Earth models which, together with the ICE-3G deglaciation chronology, produce predictions of baseline length changes that are consistent with very long baseline interferometry measurements of baselines within Europe.

Mitrovica, J. X.↗

DOE OSTI2024

A multiscale anisotropic polymer network model coupled with phase field fracture

The study of polymers has continued to gain substantial attention due to their expanding range of applications, spanning essential engineering fields to emerging domains like stretchable electronics, soft robotics, and implantable sensors. These materials exhibit remarkable properties, primarily stemming from their intricate polymer chain network, which, in turn, increases the complexity of precisely modeling their behavior. Especially for modeling elastomers and their fracture behavior, accurately accounting for the deformations of the polymer chains is vital for predicting the rupture in highly stretched chains. Despite the importance, many robust multiscale continuum frameworks for modeling elastomer fracture tend to simplify network deformations by assuming uniform behavior among chains in all directions. Recognizing this limitation, our study proposes a multiscale fracture model that accounts for the anisotropic nature of elastomer network responses. At the microscale, damage in the chains is assumed to be driven by both the chain's entropy and the internal energy due to molecular bond distortions. In order to bridge the stretching in the chains to the macroscale deformation, we employ the maximal advance path constraint network model, inherently accommodating anisotropic network responses. As a result, chains oriented differently can be predicted to exhibit varying stretch and, consequently, different damage levels. To drive macroscale fracture based on damages in these chains, we utilize the micromorphic regularization theory, which involves the introduction of dual local-global damage variables at the macroscale. The macroscale local damage variable is obtained through the homogenization of the chain damage values, resulting in the prediction of an isotropic material response. The macroscale global damage variable is subjected to nonlocal effects and boundary conditions in a thermodynamically consistent phase field continuum formulation. Moreover, the total dissipation in the system is considered to be mainly due to the breaking of the molecular bonds at the microscale. To validate our model, we employ the double-edge notched tensile test as a benchmark, comparing simulation predictions with existing experimental data. Additionally, to enhance our understanding of the fracturing process, we conduct uniaxial tensile experiments on a square film made up of polydimethylsiloxane (PDMS) rubber embedded with a hole and notches and then compare our simulation predictions with the experimental observations. Furthermore, we visualize the evolution of stretch and damage values in chains oriented along different directions to assess the predictive capacity of the model. In conclusion, the results are also compared with another existing model to evaluate the utility of our model in accurately simulating the fracture behavior of rubber-like materials.

42 ENGINEERING↗

DOE OSTI2025

Complex Dependence of Calcite Crack Kinetics on Salinity: The Role of DLVO and Hydration Forces

Abstract Subcritical crack growth (SCG) plays an important role in many geological processes such as delayed earth rupture and rock weathering. The complex dependency of SCG on the in‐crack fluid chemistry, however, is still poorly understood. In this study, we utilize the newly developed surface force‐based fracture theory (SFFT) to elucidate the relative contributions of surface forces and solute transport to the crack growth kinetics of calcite in NaCl solutions. Expanding on Barenblatt's cohesive crack model, SFFT introduces an effective stress intensity at the crack tip that encompasses all the relevant intermolecular forces across the crack in addition to the external far‐field stresses. The nonlinear system of equations portraying the crack opening profile, the solute distribution in a propagating crack, and the crack growth velocity are numerically solved via an implicit scheme. After carefully calibrating the model for calcite‐water systems, the SFFT is used to predict the SCG response of calcite at different NaCl concentrations, based on various hypotheses. These predictions are then compared to existing SCG data from the literature. We demonstrate that the experimentally observed variation of SCG rate with NaCl concentration cannot be explained solely by DLVO forces (electrostatic and Van der Waals interactions). This can be remediated by introducing an exponentially decaying hydration force with a nonlinear, nonmonotonic dependence on NaCl concentration. Furthermore, we demonstrate that accounting for both diffusive and advective transport of ions is important in explaining the absence of a stage‐II SCG response for calcite in electrolyte solutions. Plain Language Summary Subcritical crack growth (SCG) refers to the slow propagation of cracks in materials under a stress below the threshold for catastrophic failure. SCG is a key process in many geological events, for example, delayed earth ruptures and rock weathering. New initiatives such as underground CO 2 and H 2 storage in carbonate reservoirs further call for better understanding of SCG in carbonate minerals subjected to varying fluid chemistry. This study examines the SCG of calcite, a key mineral found in carbonate rocks, intergranular cement in sandstones, and filling material in mineral veins and faults, determining their deformation and strength. A mathematical model is developed to describe how the crack opens and propagates, how solutes (like salts) distribute within the crack, and how the crack surfaces interact with each other. We used the model to predict calcite SCG in water at different salt concentrations and compared it with experimental data. Our results revealed that the hydration force is the dominating factor in determining the complex, non‐linear dependency of SCG on salinity. We also found that both the movement of ions by diffusion and by bulk water flow are crucial for explaining the SCG rates, especially when the cracks grow quickly. Key Points Surface Force‐Based Fracture Theory predicts the complex subcritical crack growth patterns of calcite crystals immersed in NaCl solutions Results highlight the dominant role of hydration forces in altering the fracture behavior of calcite compared to VdW and electric double‐layer forces Advective solute transport explains the absence of stages‐II and ‐III subcritical crack growth responses in solid‐liquid systems

DLVO↗

NASA NTRS1993

Evolution of damage and plasticity in titanium-based, fiber-reinforced composites

The inelastic deformation mechanisms were evaluated for a model titanium-based, fiber-reinforced composite: a beta titanium alloy (Ti-15V-3Al-3Cr-3Sn) reinforced with SiC (SCS-6) fibers. The primary emphasis of this article is to illustrate the sequence in which damage and plasticity evolved for this system. The mechanical responses and the results of detailed microstructural evaluations for the 0(8), 90(8), and +/- 45(2s) line oriented laminates are provided. It is shown that the characteristics of the reaction zone around the fiber play a very important role in the way damage and plasticity evolve, particularly in the microyield regime of deformation, and must be included in any realistic constitutive model. Fiber-matrix debonding was a major damage mode for the off-axis systems. The tension test results are also compared with the predictions of a few constitutive models.

Majumdar, B. S.↗

DOE OSTI2025

Rationalization of the tensile creep behavior of the Nb45Ta25Ti15Hf15 bcc refractory complex concentrated alloy using Rao-Suzuki screw dislocation glide model

Published experimental tensile creep data for refractory body-centered cubic alloy Nb45Ta25Ti15Hf15 (NTTH) at temperatures ranging from 850–950 °C and applied tensile stresses 50–300 MPa are analyzed using the Rao-Suzuki screw dislocation glide model of solid solution strengthening. It is shown that the experimental creep data as well as transmission electron microscopy observations of post- creep deformation dislocation microstructure are in agreement with the model results. This suggests that the creep deformation of NTTH at 850–950 °C is controlled by screw dislocation glide.

Rao, Satish I↗

NASA NTRS1972

Deformation and instability of underthrusting lithospheric plates

Models of the underthrusting lithosphere are constructed for the calculation of displacement and deflection. First, a mathematical theory is developed that rigorously demonstrates the elastic instability in the decending lithosphere. The theory states that lithospheric thrust beneath island arcs becomes unstable and suffers deflection as the compression increases. Thus, in the neighborhood of the edges where the lithospheric plate plunges into the asthenosphere and mesosphere its shape will be contorted. Next, the lateral displacement is calculated, and it is shown that, before contortion, the plate will thicken and contract at different positions with the variation in thickness following a parabolic profile. Finally, the depth distribution of the intermediate and deep focus earthquakes is explained in terms of plate buckling and contortion.

Liu, H.↗

NASA NTRS1984

Analysis of large, non-isothermal elastic-visco-plastic deformations

The development of a general mathematical model and solutions of test problems to analyze large nonisothermal elasto-visco-plastic deformatisms of structures is discussed. Geometric and material type nonlinearities of higher order are present in the development of the mathematical model and in the developed solution methodology.

Riff, R.↗

DOE OSTI2024

Observation and Modeling of Dynamic Fracture Behaviors of Battery Cell Under Impact Loading Using Enhanced Representative Volume Element Concept

The burgeoning electric automobile industry has increased interest in battery safety. Battery cells experience significant mechanical stress during operation, including the impact of accidents and vibrations from driving. The potential for thermal runaway reactions in battery cells raises safety concerns. Although numerous researchers have defined the dynamic behavior of battery cells and proposed numerical models to describe it, few studies have focused on the high-strain rate mechanical impact phase correlated with the onset of fracture. In this study, we describe the dynamic behavior of pouch battery cells and propose a modeling method to study their mechanical failure under impact situations. Impact tests are conducted at various velocities and heights. To overcome numerical issues commonly encountered under rapid deformation scenarios, a new finite element model is developed based on the representative volume element model. The proposed approach efficiently simulates continuous crack propagation and brittleness behavior during impact by permitting the individual behavior of the cell components. Therefore, engineers can reliably design safer electric vehicle battery cells by measuring the properties of the cell components.

ENERGY STORAGE↗

DOE OSTI2025

Microstructure Clones

Background: A material’s microstructure drives its material performance. Contemporary crystal plasticity experiments compare full-field strain measurements of polycrystal specimens to models. Because each specimen is unique, it is impossible to know which features of the observed deformation are deterministic vs statistical; thus, differences between model and experiment may or may not be significant. Objective: This paper introduces the invention of microstructure clones. Microstructure clones are 2D oligocrystal specimens that have nearly identical microstructures to remedy the aforementioned experimental limitations. Having specimens with nearly identical microstructures will allow for multiple destructive tests of a microstructure (either as repeats or intentionally different experiments), an ability to “see the future” by providing insight into how a specimen will deform, variability quantification, and experimental investigations of response to small microstructural changes. Methods: This work introduces microstructure clones. Repeatability of these clones is demonstrated in tensile bars of pure nickel. Local strain measurements from digital image correlation are compared between clone specimens and compared to results from a crystal plasticity finite element model. Results: Two sets of microstructure clones were tested in this study and displayed very consistent deformation responses within each clone set. Small observed differences in deformation invite investigation into microstructure stochasticity and the effect of small microstructural and loading differences. Conclusions: Microstructure clones represent a significant shift in understanding structure–property relationships. This work reshapes experimental crystal plasticity to allow for experiments that control for specific variables, quantification of microstructural stochasticity (and other sources of stochasticity), and opportunities for replicating experiments.

Crystal Plasticity↗

DOE OSTI2025

A generalizable machine learning-assisted fast Fourier transform algorithm to simulate the large strain phenomena in polycrystalline materials

Machine learning methods have shown initial promise in constitutive modeling for single crystals or homogenized polycrystals, delivering notable computational efficiency. However, existing machine learning-based constitutive models often lack generalizability, limiting their application across diverse boundary value problems. This study introduces a thermodynamics-informed artificial neural network model to accelerate rate-tangent crystal plasticity fast Fourier transform simulations for cross-scale deformation behaviors of polycrystals under complex loading. Our model integrates microstructural variability and local interactions effectively. To address local effects in each grain, we employ K-means clustering to group Gauss points within the microstructure into clusters assumed to be in similar mechanical states. This approach, based on self-clustering analysis, extends model scope from macroscopic stress response to the granular level, capturing mechanical responses and orientation evolution across grains. This reduces the number of nonlinear problems to solve, with cluster responses propagated throughout each group. The thermodynamics-based artificial neural network-extracted features are further processed using local material state clusters to account for history-dependent deformation and evolving microstructures. Additionally, representative volume element simulations with rate-tangent crystal plasticity fast Fourier transform provide reliable datasets for model training. The proposed model demonstrates high efficiency, accuracy, self-consistency, and enhanced generalizability in predicting strain–stress responses and orientation evolution at both individual grain and aggregate scales under complex loading conditions, such as biaxial tension and arbitrary loading scenarios.

36 MATERIALS SCIENCE↗

NASA NTRS2014

A Modular Approach to Model Oscillating Control Surfaces Using Navier Stokes Equations

The use of active controls for rotorcraft is becoming more important for modern aerospace configurations. Efforts to reduce the vibrations of helicopter blades with use of active-controls are in progress. Modeling oscillating control surfaces using the linear aerodynamics theory is well established. However, higher-fidelity methods are needed to account for nonlinear effects, such as those that occur in transonic flow. The aeroelastic responses of a wing with an oscillating control surface, computed using the transonic small perturbation (TSP) theory, have been shown to cause important transonic flow effects such as a reversal of control surface effectiveness that occurs as the shock wave crosses the hinge line. In order to account for flow complexities such as blade-vortex interactions of rotor blades higher-fidelity methods based on the Navier-Stokes equations are used. Reference 6 presents a procedure that uses the Navier-Stokes equations with moving-sheared grids and demonstrates up to 8 degrees of control-surface amplitude, using a single grid. Later, this procedure was extended to accommodate larger amplitudes, based on sliding grid zones. The sheared grid method implemented in EulerlNavier-Stokes-based aeroelastic code ENS AERO was successfully applied to active control design by industry. Recently there are several papers that present results for oscillating control surface using Reynolds Averaged Navier-Stokes (RANS) equations. References 9 and 10 report 2-D cases by filling gaps with overset grids. Reference 9 compares integrated forces with the experiment at low oscillating frequencies whereas Ref. 10 reports parametric studies but with no validation. Reference II reports results for a 3D case by modeling the gap region with a deformed grid and compares force results with the experiment only at the mid-span of flap. In Ref. II grid is deformed to match the control surface deflections at the section where the measurements are made. However, there is no indication in Ref. II that the gaps are explicitly modeled as in Ref. 6. Computations using overset grids are reported in Ref. 12 for a case by adding moving control surface to an existing blade but with no validation either with an experiment or another computation.

Navier↗

NASA NTRS1989

Sliding control of pointing and tracking with operator spline estimation

It is shown how a variable structure control technique could be implemented to achieve precise pointing and good tracking of a deformable structure subject to fast slewing maneuvers. The correction torque that has to be applied to the structure is based on estimates of upper bounds on the model errors. For a rapid rotation of the deformable structure, the elastic response can be modeled by oscillators driven by angular acceleration, and where stiffness and damping coefficients are also angular velocity and acceleration dependent. By transforming this slew-driven elastic dynamics into bilinear form (be regarding the vector made up of the angular velocity, squared angular velocity and angular acceleration components, which appear in the coefficients as the input to the deformation dynamics), an operator spline can be constructed, that gives a low order estimate of the induced disturbance. Moreover, a worst case error bound between the estimated deformation and the unknown exact deformation is also generated, which can be used where required in the sliding control correction.

Dwyer, Thomas A. W., III↗

DOE OSTI2025

Calibration of RAFM Micromechanical Model for Creep Using Bayesian Optimization for Functional Output

A Bayesian optimization procedure is presented for calibrating a multimechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on Fe(8–9)%Cr are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600°C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework (Huang et al., 2021, “Bayesian optimization of functional output in inverse problems,” Optim. Eng., 22, pp. 2553–2574). Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. In conclusion, validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel.

42 ENGINEERING↗

DOE OSTI2025

Modeling of Stress and Temperature Effects on Creep of Reduced Activation Ferritic-Martensitic Steel Alloy F82H (Tertiary Creep Modeling of RAFM Steel)

A Bayesian optimization procedure is presented for calibrating a multi-mechanism micromechanical model for creep to experimental data of F82H steel. Reduced activation ferritic martensitic (RAFM) steels based on are the most promising candidates for some fusion reactor structures. Although there are indications that RAFM steel could be viable for fusion applications at temperatures up to 600 °C, the maximum operating temperature will be determined by the creep properties of the structural material and the breeder material compatibility with the structural material. Due to the relative paucity of available creep data on F82H steel compared to other alloys such as Grade 91 steel, micromechanical models are sought for simulating creep based on relevant deformation mechanisms. As a point of departure, this work recalibrates a model form that was previously proposed for Grade 91 steel to match creep curves for F82H steel. Due to the large number of parameters (9) and cost of the nonlinear simulations, an automated approach for tuning the parameters is pursued using a recently developed Bayesian optimization for functional output (BOFO) framework [1]. Incorporating extensions such as batch sequencing and weighted experimental load cases into BOFO, a reasonably small error between experimental and simulated creep curves at two load levels is achieved in a reasonable number of iterations. Validation with an additional creep curve provides confidence in the fitted parameters obtained from the automated calibration procedure to describe the creep behavior of F82H steel at 600 °C. The model is further extended using a temperature dependent scaling law approach to simulate creep response between 550 °C and 650 °C. The efficacy of this extension is compared with the previously used scaling law approach for Grade 91 steel.

36 MATERIALS SCIENCE↗

NASA NTRS1987

Lithospheric structure on Venus from tectonic modelling of compressional features

In previous studies, extensional models were used that incorporated realistic rheologies in order to constrain lithospheric structure. Lithospheric modelling is considered herein from the standpoint of compressional deformation. Features of presumed compressional tectonic origin are reviewed and a model for compressional folding based on lithospheric strength envelopes are presented that include the effects of both brittle and ductile yielding as well as finite elastic strength. Model predictions are then compared with the widths and spacings of observed tectonic features and it is concluded that the results are consistent with a thin crust overlying a relatively stronger mantle, with thermal gradients probably in the range of 10 to 15 deg/km.

Banerdt, W. B.↗

NASA NTRS1990

A kinematic model for the late Cenozoic development of southern California crust and upper mantle

A model is developed for the young and ongoing kinematic deformation of the southern California crust and upper mantle. The kinematic model qualitatively explains both the overall seismic structure of the upper mantle and much of the known geological history of the late Cenozoic as consequences of ongoing convection beneath southern California. In this model, the high-velocity upper-mantle anomaly of the Transverse ranges is created through the convergence and sinking of the entire thickness of subcrustal lihtosphere, and the low-velocity upper-mantle anomaly beneath the Salton Trough region is attributed to high temperatures and 1-4 percent partial melt related to adiabatic decompression during mantle upwelling.

Humphreys, Eugene D.↗

NASA NTRSDate not supplied

Evaluation of Composite Airframe Dynamic Impact Modeling Using Hawker 4000 Fuselage Drop Test Data

Two drop tests of partial Hawker 4000 fuselage sections were conducted at the National Aeronautics and Space Administration (NASA) Langley Research Center (LaRC) to characterize the response of representative composite aerospace structure to dynamic impact loads. Test conditions were selected to induce damage into the composite structure in order to study material failure within a composite fuselage and evaluate the capability of finite element (FE) model analysis to predict that failure. The tests were simulated using FE models which were generated to isolate the effect of developmental data availability on predictive capability. FE Models of the tested fuselage sections were generated using two limited data sets. The first model configuration was reverse engineered from the test article with no information related to design or fabrication details which would be known only by the manufacturer. The second model was generated from data provided by the manufacturer but without additional material characterization test data. Models were developed using these methodologies for both fuselage sections tested. Correlation of each model to the tests conducted was evaluated in terms of damage, deformation, and cabin acceleration measurements. Correlation between the developed models and the tested fuselage sections showed that the reverse engineered model predicted the composite damage and cabin acceleration measured during test though it was limited due to lack of detail in the composite layup changes through the structure. The model developed using manufacturer specifications did not predict damage, due to limited material and component model characterization data, but it did predict acceleration on par with the reverse engineered model. Model capability and limitation sources identified were verified through correlation of a final model which was developed by combining the individual data sets. The combined model demonstrated that the addition of calibrated composite material models to accurate composite layup definitions and detailed geometry led to improved correlation of damage and acceleration response within the composite fuselage structures.

Crashworthiness↗