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

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At least 19 records

Creep and Creep Fracture Modeling with Surrogate Creep Models and the Extended Finite Element Method

Alloy components in advanced nuclear reactors will be subjected to environmental conditions that could include high temperatures, irradiation, and exposure to corrosive salts. These conditions could lead to the formation of crack-like defects, which could grow over time in a mechanism known as creep crack growth (CCG). Predicting growth rates of these defects is important for assessing the safe operating life of advanced reactors. This project documents progress toward developing and testing next-generation data-driven constitutive models for deformation creep. It also documents the application of the extended finite element method in conjunction with surrogate creep models to predict CCG parameters under a variety of conditions. These important incremental developments contribute to the longer-term objective of developing microstructure-aware constitutive models that can be used for predicting creep deformation and CCG at the component scale with improved accuracy.

36 MATERIALS SCIENCE↗

Modeling of High-Temperature Corrosion of Zirconium Alloys Using the eXtended Finite Element Method (X-FEM)

Oxidation modeling in modern nuclear fuel performance codes is currently limited by the lack of coupling with mechanics, thus preventing proper description of how high-temperature oxidation impacts mechanical properties. This is mostly due to the fact that the finite difference formalism adopted in corrosion models is incompatible with the direct coupling with mechanics in the finite element modeling employed in modern nuclear fuel performance codes. In this study, a physically based zirconium alloy corrosion model called the Coupled-Current Charge Compensation (C4) model, which was initially developed for operating temperature conditions, has been updated to include high-temperature corrosion in order to provide additional critical information (e.g., oxygen concentration profile) under loss-of-coolant accident (LOCA) conditions—information lacking in existing empirical models. The C4 model was implemented in the MOOSE finite-element framework developed at Idaho National Laboratory, enabling it to be used in the BISON nuclear fuel performance code based on the MOOSE framework. To precisely track the different interfaces at a relatively low computational cost, the eXtended Finite Element Method (X-FEM) was applied in MOOSE. The model’s results were compared to those of existing empirical models as well as metallographic analysis of high-temperature oxidized Zircaloy-4 coupons. Oxygen diffusivities in the a and ß phases resulting from this comparison closely agree with those found in the literature. The C4 model implemented with X-FEM in MOOSE now has the capability to accurately predict oxide, oxygen-stabilized a, and prior ß phase layer growth kinetics under isothermal exposure at high temperature (1000–1500°C). Furthermore, in contrast with the empirical models, the C4 model accounts for the finite thickness of the fuel cladding. It can predict the oxygen concentration profile evolution through the whole cladding, enabling evaluation of the remaining ductile thickness—a crucial variable for modeling the mechanical behavior of the fuel cladding under LOCA. Furthermore, this implementation allows direct coupling with mechanics, at a low computing cost, using finite-element-based nuclear fuel performance codes such as BISON.

36 MATERIALS SCIENCE↗

Efficient co-solution of time step size and independent state in simulations of fluid-driven fracture propagation with embedded meshes

Here we present an efficient time-continuation scheme for fluid-driven fracture propagation problems in the extended finite element method framework. The approach applies a monolithic solution strategy to a fully coupled and implicit approximation of hydro-mechanical systems in conjunction with simultaneous linear elastic propagation of multiple fractures. At the end of each time step, the process ensures that the weakest fracture tip is in an equilibrium propagation regime. Furthermore, the solution process provides an initialization procedure for the newly created fracture spaces and an a priori estimate of the stress intensity factor growth rate, improving simulation robustness, and efficiency. The solution process is validated using the Kristianovich-Geertsma-de Klerk analytical solution under the toughness- and viscosity-dominated regimes. It is also extended to and demonstrated on problems with multiple fractures undergoing simultaneous propagation with stress shadow interactions. Numerical examples demonstrate that the solution process can reduce the required computational cost by one order of magnitude compared to other existing methods.

42 ENGINEERING↗

Initial Fracture Propagation Modeling of Graphite Components with Grizzly

Graphite has historically been extensively used in power reactor cores and will be used in multiple types of advanced reactors currently under development. These graphite structural components can experience significant stresses due to nonuniform volumetric strains induced by irradiation and thermal expansion, which can lead to fracture. Robust tools for predicting fracture initiation and propagation in graphite structural components in nuclear reactors are important for evaluating component integrity, developing design standards, and interpreting experimental results to characterize graphite performance. The U.S. Department of Energy’s Nuclear Energy Advanced Modeling and Simulation program has been developing degradation models for other structural components in nuclear reactors within the Grizzly and BlackBear codes. This report documents an effort to develop initial capabilities for modeling graphite fracture within these codes, building on prior efforts to model fracture in other materials. Major elements of this effort include developing a new system for modeling fracture nucleation and growth in two dimensions using the extended finite element method and incorporating a damage and plasticity model. These capabilities are applied here to model a representative graphite component and a splitting disc experiment used to obtain tensile strength.

36 MATERIALS SCIENCE↗

Surrogate Model Integration with MOOSE XFEM for Creep Crack Growth

Ferritic-martensitic steels are key structural materials for advanced reactors but experience time-dependent deformation and damage under prolonged high temperature and irradiation, leading to creep-driven crack initiation and growth. High-fidelity models—crystal plasticity with irradiation mechanisms, phase-field for microstructural evolution, and continuum-damage viscoplasticity—capture the underlying physics but are too computationally intensive for broad design-space exploration and uncertainty quantification. This milestone advances a scalable alternative by integrating a microstructure-sensitive surrogate creep model into the Multiphysics Object-Oriented Simulation Environment (MOOSE) finite element framework and extending it to fracture via the extended finite element method (XFEM). The surrogate model, developed with collaborators at Sandia and Los Alamos National Laboratories, maps relevant microstructural descriptors to the viscoplastic response of HT9. We embed this surrogate within a coupled deformation-damage workflow in MOOSE/XFEM to simulate creep-driven crack initiation and propagation. Implementation enhancements include updates to the material interface, a plastic correction phase involving microstructure evolution, and fracture criteria to ensure numerical robustness and compatibility with the surrogate structure. Demonstrations on canonical creep benchmarks spanning uniaxial and multiaxial states show that the surrogate reproduces key trends of high-fidelity models while substantially reducing computational cost. The resulting capability bridges physics fidelity and performance, providing a practical path to a predictive, microstructure-aware assessment of creep and fracture in reactor materials.

36 - MATERIALS SCIENCE↗

Extended Finite Element Based Approach in Additive Manufacturing Modeling for Optimizing Highly Complex Manifold in Protonic Ceramic Electrochemical Cells

The objective of this project is to develop a novel numerical approach based on the extended finite element method (XFEM) for modeling moving boundaries of material deposited in additive manufacturing (AM) process with improved accuracy and reduced computational cost. One of the major challenges in simulating AM processes is that the boundaries of the computational domain need to change as material is deposited. Previous approaches have achieved this by activating new finite elements, but this requires a high level of mesh refinement to capture small movement of the boundary. XFEM allows the solution boundary to move independently of the mesh, permitting smooth representation of the evolution of the boundary as material is deposited. As a result, this new method will significantly improve the simulation accuracy while reducing the computational cost compared with existing approaches. Furthermore, this project will bring significant improvements for the design and AM process optimization in an iterative fashion among numerical simuation, parameter optimization, and experimental validation. Specifically, this project will support the protonic ceramic electrochemical cells (PCEC) stack development at INL by providing insights into the density, residual stress, thermal and mechanical properties of the PCEC manifold and interconnect, which is critical in enhancing the system lifetime and reducing the overall cost. Upon the success of proposed development and validation of the proposed approach, simulation will be applied to determine an optimal set of AM process parameters for the PCEC manifold production. This project will consolidate Idaho National Laboratory (INL)’s simulation capabilities provided by the MOOSE framework and the Valhalla AM simulation application, with encouraging expansion to emerging PCEC applications and AM technologies at INL and beyond.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.0 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.0 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as peridynamics and the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and $\textit{J}$-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.2 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.2 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗

Sierra/SolidMechanics 5.4 Capabilities in Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.4 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

74 ATOMIC AND MOLECULAR PHYSICS↗

Sierra/SolidMechanics 5.6 Capabilities in Development

This user's guide documents capabilities in Sierra/SolidMechanics which remain "in-development" and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.6 User's Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 5.8 In-Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.8 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗

Sierra/SolidMechanics 5.10 In-Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.10 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

42 ENGINEERING↗

Sierra/SolidMechanics 5.16 Capabilities in Development Manual

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 5.16 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as the conforming reproducing kernel (CRK) method, numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and J-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations.

97 MATHEMATICS AND COMPUTING↗

Sierra/SolidMechanics 4.58. Capabilities In Development

This user’s guide documents capabilities in Sierra/SolidMechanics which remain “in-development” and thus are not tested and hardened to the standards of capabilities listed in Sierra/SM 4.58 User’s Guide. Capabilities documented herein are available in Sierra/SM for experimental use only until their official release. These capabilities include, but are not limited to, novel discretization approaches such as peridynamics and the reproducing kernel particle method (RKPM), numerical fracture and failure modeling aids such as the extended finite element method (XFEM) and /-integral, explicit time step control techniques, dynamic mesh rebalancing, as well as a variety of new material models and finite element formulations

97 MATHEMATICS AND COMPUTING↗

A virtual element generalization on polygonal meshes of the Scott-Vogelius finite element method for the 2-D Stokes problem

The virtual element method (VEM) is a Galerkin approximation method that extends the finite element method to polytopal meshes. In this paper, we present a conforming formulation that generalizes the Scott-Vogelius finite element method (FEM) for the numerical approximation of the Stokes problem to polygonal meshes in the framework of the virtual element method. In particular, we consider a straightforward application of the virtual element approximation space for scalar elliptic problems to the vector case and approximate the pressure variable through discontinuous polynomials. We assess the effectiveness of the numerical approximation by investigating the convergence on a manufactured solution problem and a set of representative polygonal meshes. We numerically show that this formulation is convergent with optimal convergence rates except for the lowest-order case on triangular and square meshes where the method coincides with the P 1 - P 0 Scott-Vogelius scheme, which is well-known to be unstable.

97 MATHEMATICS AND COMPUTING↗

A virtual element generalization on polygonal meshes of the Scott-Vogelius finite element method for the 2-D Stokes problem

The Virtual Element Method (VEM) is a Galerkin approximation method that extends the Finite Element Method (FEM) to polytopal meshes. In this paper, we present a conforming formulation that generalizes the Scott-Vogelius finite element method for the numerical approximation of the Stokes problem to polygonal meshes in the framework of the virtual element method. In particular, we consider a straightforward application of the virtual element approximation space for scalar elliptic problems to the vector case and approximate the pressure variable through discontinuous polynomials. We assess the effectiveness of the numerical approximation by investigating the convergence on a manufactured solution problem and a set of representative polygonal meshes. Finally, we numerically show that this formulation is convergent with optimal convergence rates except for the lowest-order case on triangular meshes, where the method coincides with the $\mathbb{P}_1$ – $\mathbb{P}_0$ Scott-Vogelius scheme, and on square meshes, which are situations that are well-known to be unstable.

97 MATHEMATICS AND COMPUTING↗

Sprain energy consequences for damage localization and fracture mechanics

The 2023 smooth Lagrangian Crack-Band Model (slCBM), inspired by the 2020 invention of the gap test, prevented spurious damage localization during fracture growth by introducing the second gradient of the displacement field vector, named the “sprain,” as the localization limiter. The key idea was that, in the finite element implementation, the displacement vector and its gradient should be treated as independent fields with the lowest ( C 0 ) continuity, constrained by a second-order Lagrange multiplier tensor. Coupled with a realistic constitutive law for triaxial softening damage, such as microplane model M7, the known limitations of the classical Crack Band Model were eliminated. Here, we show that the slCBM closely reproduces the size effect revealed by the gap test at various crack-parallel stresses. To describe it, we present an approximate corrective formula, although a strong loading-path dependence limits its applicability. Except for the rare case of zero crack-parallel stresses, the fracture predictions of the line crack models (linear elastic fracture mechanics, phase-field, extended finite element method (XFEM), cohesive crack models) can be as much as 100% in error. We argue that the localization limiter concept must be extended by including the resistance to material rotation gradients. We also show that, without this resistance, the existing strain-gradient damage theories may predict a wrong fracture pattern and have, for Mode II and III fractures, a load capacity error as much as 55%. Finally, we argue that the crack-parallel stress effect must occur in all materials, ranging from concrete to atomistically sharp cracks in crystals.

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