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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 235 records · Page 13

Hybridized Discontinuous Galerkin Methods for Computational Fluid Dynamics

Hybridizable Discontinuous Galerkin (HDG) methods hold promise for any applications with significant advection character, including thermal hydraulics in light water reactors and advanced reactor concepts and fluid models of plasmas in magnetic confinement fusion. Its features include natural upwinding, local element conservation, and extensibility to arbitrarily high order accuracy. In the last fiscal year we have implemented HDG in the Multiphysics Object-Oriented Simulation Environment (MOOSE). We developed a first-of-its-kind automatic static condensation system in MOOSE’s underlying finite element library libMesh which can condense out arbitrarily many internal variables. Finally, we developed the first preconditioner for HDG discretizations of the Navier-Stokes equations which shows robust performance across a wide range of problem sizes and Reynolds numbers. This preconditioner yields solution times that are equivalent to the fastest developed for industry standard finite volume methods. Moreover, the arbitrarily high-order nature of HDG makes it a prime candidate for acceleration via graphical processing units (GPUs). We believe these developments will hold significant importance for future DOE Nuclear Energy (NE) and Fusion Energy Science (FES) programs.

97 MATHEMATICS AND COMPUTING↗

Simulation of gas mixture dynamics in a pipeline network using explicit staggered-grid discretization

Here we develop an explicit staggered finite difference discretization scheme for simulating the transport of highly heterogeneous gas mixtures through pipeline networks. This study is motivated by the proposed blending of hydrogen into natural gas pipelines to reduce end use carbon emissions while using existing pipeline systems throughout their planned lifetimes. Our computational method accommodates an arbitrary number of constituent gases with very different physical properties that may be injected into a network with significant spatiotemporal variation. In this setting, the gas flow physics are highly location- and time- dependent, so that local composition and nodal mixing must be accounted for. The resulting conservation laws are formulated in terms of pressure, partial densities and flows, and volumetric and mass fractions of the constituents. We include non-ideal equations of state that employ linear approximations of gas compressibility factors, so that the pressure dynamics propagate locally according to a variable wave speed that depends on mixture composition and density. We derive compatibility relationships for network edge boundary values that are more complex than for a homogeneous gas. The simulation method is evaluated on initial boundary value problems for a single pipe and a small network, is cross-validated with a lumped element simulation, and used to demonstrate a local monitoring and control policy for maintaining allowable concentration levels.

97 MATHEMATICS AND COMPUTING↗

Adaptation of Wallace's approach to the specific heat of elemental solids with significant intrinsic anharmonicity, particularly the light actinide metals

The quasiharmonic approximation is the most common method for modeling the specific heat of solids; however, it fails to capture the effects of intrinsic anharmonicity. In this study, we introduce the “elastic softening approximation,” an alternative approach to modeling intrinsic anharmonic effects on thermodynamic quantities, which is grounded in Wallace's thermodynamic framework that tracks entropy changes resulting from the continuous change (e.g., softening) of phonons as a function of temperature. A key finding of our study is a correlation between Poisson's ratio and the differential rate of phonon softening at finite frequencies, compared to lower frequencies relevant to elastic moduli measurements. We observe that elemental solids such as α -Be, diamond, Al, Cu, In, W, Au, and Pb, which span a wide range of Poisson's ratios and exhibit varying degrees of intrinsic anharmonicity, consistently follow this trend. When applied to α -U, α -Pu, and δ -Pu, our method reveals unusually large anharmonic phonon contributions at elevated temperatures across all three light actinide metals. These findings are attributed to the unique combination of enhanced covalency and softer elastic moduli inherent in the actinides, potentially influenced by their 5 f -electron bonding. Published by the American Physical Society 2025

36 MATERIALS SCIENCE↗

Seismic response of vertical dry storage casks under three-dimensional earthquake motions

Ensuring the long-term seismic safety of dry storage casks (DSCs) is becoming increasingly critical as these systems evolve from temporary to de facto permanent repositories for spent nuclear fuels. Traditional seismic soil–structure interaction (SSI) assessment methods use one-dimensional deconvolution or simplified boundary conditions to model incident waves. Although computationally appealing, simplifying assumptions may alter the seismic risk by neglecting the full complexity of three-dimensional (3D) wave propagation effects. To address this challenge, this paper introduces a novel high-fidelity computational framework that leverages the Domain Reduction Method (DRM) with perfectly matched layers (PML) to accurately transfer complex, 3D seismic wavefields from regional-scale fault-rupture simulations into local-scale finite element models of DSCs. Using broadband, physics-based ground motions from a generic M w 7.0 strike-slip event, both single-cask and multi-cask configurations were investigated under near- and far-field conditions. Emphasis is placed on capturing complex SSI, spatial variability in the ground motion, and nonlinear phenomena such as cask rocking and sliding. Numerical results demonstrate that near-field conditions, where forward directivity and fling-step effects dominate, lead to significantly higher DSC rocking and sliding. Far-field cases, by contrast, generally exhibit modest responses. Incorporating SSI tends to amplify or alter DSC response spectra and introduce response variability, which underscores the need for site-specific evaluations and robust modeling approaches to ensure the seismic integrity of DSCs in interim spent fuel storage installations.

Das, Tonmoy↗

Multiscale simulation of spatially correlated microstructure via a latent space representation

When deformation gradients act on the scale of the microstructure of a part due to geometry and loading, spatial correlations and finite-size effects in simulation cells cannot be neglected. We propose a multiscale method that accounts for these effects using a variational autoencoder to encode the structure–property map of the stochastic volume elements making up the statistical description of the part. In this paradigm the autoencoder can be used to directly encode the microstructure or, alternatively, its latent space can be sampled to provide likely realizations. Furthermore, we demonstrate the method on three examples using the common additively manufactured material AlSi10Mg in: (a) a comparison with direct numerical simulation of the part microstructure, (b) a push forward of microstructural uncertainty to performance quantities of interest, and (c) a simulation of functional gradation of a part with stochastic microstructure.

Elastoplasticity↗

Numerical modeling and experimental validation of low velocity impact of woven GFRP/CFRP composites

Low-velocity impact of 2D woven glass fiber reinforced polymer (GFRP) and carbon fiber reinforced polymer (CFRP) composite laminates was studied experimentally and numerically. Hybrid laminates containing blocked layers of GFRP/CFRP/GFRP with all plies oriented at 0° were investigated. Relatively high impact energies were used to obtain full perforation of the laminate in a low-velocity impact setup. Numerical simulations were carried out using the in-house transient dynamics finite element code, Sierra/SM, developed at Sandia National Laboratories. A three-dimensional continuum damage model was used to describe the response of a woven composite ply. Two methods for handling delamination were considered and compared: (1) cohesive zone modeling and (2) continuum damage mechanics. The reduced model size achieved by omission of the cohesive zone elements produced acceptable results at reduced computational cost. Further, the comparison between different modeling techniques can be used to inform modeling decisions relevant to low velocity impact scenarios. The modeling was validated by comparing with the experimental results and showed good agreement in terms of predicted damage mechanisms and impactor velocity and force histories.

36 MATERIALS SCIENCE↗

Brittle failure analysis and modeling of high-burnup PWR fuel cladding alloys

The aim of this research is the development of methods for predicting mechanical behavior and identification of limiting conditions to prevent brittle failure of high-burnup (HBU) pressure water reactor (PWR) fuel cladding alloys. A finite element (FE) model of the ring compression test (RCT) was created to analyze the failure behavior of zirconium-based alloys with radial hydrides during the RCT. An elastic-plastic material model describes the zirconium alloy. The stress-strain curve needed for the elastic-plastic material model was derived by inverse finite element analyses. Cohesive zone modeling is used to reproduce sudden load drops during RCT loading. Based on the failure mechanism in non-irradiated ZIRLO (R) claddings, a micro-mechanical model was developed that distinguishes between brittle failure along hydrides and ductile failure of the zirconium matrix. Two different cohesive laws representing these types of failure are present in the same cohesive interface. The key differences between these constitutive laws are the cohesive strength, the stress at which damage initiates, and the cohesive energy, which is the damage energy dissipated by the cohesive zone. Statistically generated matrix-hydride distributions were mapped onto the cohesive elements and simulations with focus on the first load drop were performed. Computational results are in good agreement with the RCT results conducted on high-burnup M5 (R) samples. It could be shown that crack initiation and propagation strongly depend on the specific configuration of hydrides and matrix material in the fracture area.

Simbruner, Kai↗

A Simplified Method for Predicting Shaker Voltage in IMMATs

Impedance Matched Multi-Axis Tests (IMMATs) can replicate in-service vibration induced stress more accurately than single axis shaker table tests as they can better match a part’s operational boundary conditions and excite it in multiple degrees of freedom simultaneously. Here, the shakers used in IMMATs are less powerful than shaker tables, so shaker force limits can be exceeded during tests if they are not placed adequately for the desired environment. The ability to predict shaker voltage and force before performing a test is, therefore, helpful in selecting shaker locations so that their limits are not exceeded. In this study, electrodynamic shakers were modeled as discrete electromechanical systems, and the shaker parameters were chosen to match experimentally obtained acceleration/voltage frequency response functions (FRFs). These models were coupled to a finite element model of the device under test (DUT) via dynamic substructuring, and the substructured model was demonstrated to accurately predict shaker voltage as well as the error in reproducing the environment at multiple accelerometer locations. A simple method called the FRF Multiplication method, in which the FRF of the substructured system is approximated as the product of two separate FRFs of the shaker and DUT respectively, was proposed and applied to the same system, yielding similar voltage and error predictions to those obtained using substructuring. Simple case studies were presented to explore the applicability of the proposed method, and it was demonstrated to have similar accuracy to the substructuring method in a range of cases. Additionally, we showed that while it was not possible to derive a unique model of the shakers from acceleration/voltage FRFs alone, the models that could be obtained were sufficient to predict test error almost perfectly and shaker voltage with less than 40 percent error.

42 ENGINEERING↗

Combining four-point bending and corrosion to map stress-dependent corrosion susceptibility of 316H stainless steel in FLiNaK

Understanding the effect of stress on the corrosion of steels in molten salts is important for material screening and safety assessment of molten salt reactors. We present a method that combines four-point bending with corrosion testing, enabling the mapping of corrosion susceptibility as a function of local stress from a single specimen. Guided by finite element analysis, a four-point bending setup was used to bend a 316H stainless-steel bar under controlled elastic stress during a 100-hour exposure in FLiNaK at 700 °C. Post-exposure characterization using scanning electron microscopy and energy-dispersive X-ray spectroscopy revealed a pronounced correlation between stress and corrosion. Regions under tensile stress exhibited significantly deeper attack depths and greater chromium depletion along grain boundaries, whereas compressive zones showed shallower corrosion cracks. The stress effect is attributed to stress concentration under tensile loading, which promotes chromium dissolution and crack propagation. This technique can be readily applied to other structural alloys, enabling quantitative measurement of corrosion susceptibility as a function of local stress.

316H↗

High-Power Polyphase PCB-Type Inductive Coupler for Wireless Electric Vehicle Charging

The cost and manufacturing difficulty of traditionally wound coils for wireless charging of electric vehicles has led to the exploration of alternative manufacturing for scalable deployment at a range of rated powers. A rotating-field polyphase wireless coupler is developed with balanced fully pitched coils which are not possible with conventional Litz wire. The usage of printed circuit board (PCB) technology is proposed for the innovative construction at large dimensions due to reduced cost, increased ease of manufacturability, and potential geometric customization compared to would coils. Design considerations specific to PCBs are detailed for wireless power transfer coils including advantages such as the potential for many turns and transposition with planar interconnections. A design procedure is developed which may be used to investigate the frequency to power to dimension correlation and limits associated with PCB coils. Designs are simulated in 3D electromagnetic finite element analysis (FEA) for the polyphase coil to evaluate the coupling between coils with varying geometric parameters at 100mm and 500mm outer diameters. A discussion is included on methods to increase PCB power ratings through a mixture of layer stacking, connections, and material selection.

Lewis, Donovin D.↗

Fabrication, Modeling, and Testing of a Prototype Thermal Energy Storage Containment

Increasing penetration of variable renewable energy resources requires the deployment of energy storage at a range of durations. Long-duration energy storage (LDES) technologies will fulfill the need to firm variable renewable energy resource output year round; lithium-ion batteries are uneconomical at these durations. Thermal energy storage (TES) is one promising technology for LDES applications because of its siting flexibility and ease of scaling. Particle-based TES systems use low-cost solid particles that have higher temperature limits than the molten salts used in traditional concentrated solar power systems. A key component in particle-based TES systems is the containment silo for the high-temperature (>1100 degrees C) particles. This study combined experimental testing and computational modeling methods to design and characterize the performance of a particle containment silo for LDES applications. A laboratory-scale silo prototype was built and validated the congruent transient finite element analysis (FEA) model. The performance of a commercial-scale silo was then characterized using the validated model. The commercial-scale model predicted a storage efficiency above 95% after 5 days of storage with a design storage temperature of 1200 degrees C. Insulation material and concrete temperature limits were considered as well. The validation of the methodology means the FEA model can simulate a range of scenarios for future applications. This work supports the development of a promising LDES technology with implications for grid-scale electrical energy storage, but also for thermal energy storage for industrial process heating applications.

clean energy↗

Delamination and Buckling Analysis of a Laminated Component in a High-speed Permanent Magnet Motor

High-speed permanent magnet (PM) machines are widely used because of their high-power density and high efficiency. The high rotation speed also inevitably subjects the PMs to high centrifugal load, which might damage them due to their inherent mechanical vulnerability, such as a much lower tensile strength than the compressive strength. To robustly transfer the torque from the magnet to the shaft, the outer diameter of the laminated rotor core is larger than the inner diameter of the rotor frame to ensure tight contact while working at 20,000 rpm. Motor manufacturing requires the shrink-fit method to assemble the rotor frame and rotor core. However, after the shrink-fit assembly, unexpected local delamination and buckling are observed on the rotor core part. Utilizing finite element simulation, we study the internal stress of assembling these two parts at the provided interference. Simulation results indicate the reasons for the delamination and buckling of the rotor core part and provide suggestions for improving the assembly.

Lin, Lianshan↗

Electromagnetic Modeling of Lattice Structures in Additively Manufactured Electric Machines

Recent advancements in metal additive manufacturing (AM) show great potential to revolutionize the design and manufacturing of electromagnetic components used in the field of electrical engineering. Lattice structures directly printed by AM processes typically offer better structural performance with reduced weight, such as high stiffness, surface area, elongation, energy absorption, and porosity, than the solid counterpart. This paper aims to study the electromagnetic modeling of lattice structures used in additively manufactured magnetic cores or windings for electric machines. Three dimensional (3D) electromagnetic finite element (FE) analysis with high performance computing (HPC) shows the highest fidelity in predicting the electromagnetic performance of designs with lattice structures by preserving complex geometry details. FE-based homogenization methods have also been explored to potentially speed up concept design. A case study based on an additively manufactured axial-flux permanent magnet machine with a Hilbert pattern stator validates the discussed electromagnetic modeling approaches.

Chung, Shi-Uk [ANSYS, Inc.]↗

Study of a High-speed Outer Rotor Burst Containing Enclosure

The increasing demand for high-speed electric machines in many applications pushes the development of high-power density electric motors. Outer rotor motors, which can be designed with a larger airgap diameter than inner rotor motors for the same overall diameter and, therefore, provide higher torque, distinguish themselves in space-constrained but high torque applications. However, increasing the motor speed and diameter results in significant centrifugal loads for the outer rotor motor due to its higher airgap diameter. Additional attention must be paid at the design stage to consider the extreme situation of possible mechanical failure, such as the sudden burst of the high-speed rotating parts in the motor, and measures must be taken to prevent their damage to other system components in advance. Through the finite element dynamic impact analysis, we studied the damage caused by broken parts on the inner wall of the electric motor housing when the motor rotates at 20,000 RPM. The proposed method is expected to provide reasonable recommendations of the enclosure material and its thickness required to protect other components in the same powertrain system when the high-power density motor fails unexpectedly.

Lin, Lianshan↗

Macro-level mechanical interlocking: A rapid joining approach for additively manufactured compression molded composite panels

Composite joining typically involves multiple steps, such as drilling and surface treatment, as part of the manufacturing process, which leads to low throughput and long cycle times. In the present study, we demonstrated a macro-level mechanical interlocking (MI) based, rapid joining technique to assemble additively manufactured compression molded (AMCM) panels, enabling the production of parts larger than the mold dimensions. Composite panels made of 20 wt% short carbon fiber reinforced acrylonitrile butadiene styrene (CF/ABS) were joined using MI features of various geometries, namely tree (TR), dovetail (Dov), rectangle 2 (Rect2), and rectangle 1 (Rect1), and their in-plane strength was evaluated. The resultant strength of the tested MI joints reached up to 74 % of the baseline tensile strength (i.e., the ‘no joint’ case). Observations from optical and scanning electron microscopy revealed inadequate polymer diffusion between the adherends, indicating that the joint strength was primarily derived from mechanical interlocking. Additionally, the fracture surfaces exhibited stress-whitening marks, which were characterized using differential scanning calorimetry (DSC). The increase in melting enthalpy suggested local stretching of polymer chains due to MI. Finite element analysis (FEA) indicated that the Rect1 MI feature, which generated the lowest stress concentration, outperformed the others in terms of joint strength, achieving 42 MPa. As a demonstration of the MI joining method, a battery box tray measuring 108 cm × 34 cm using a mold with an effective dimension of 36 cm × 34 cm successfully manufactured, resulting in a part with an area three times larger than the mold. In conclusion, this study presents a promising approach to improving composite joining techniques while minimizing production complexities.

In-plane joining↗

Mechanical Characterization of the NIF Ignition Target TMPSA Bonding Flexure

The Thermo-Mechanical Package Sub-Assembly (TMPSA) provides a critical mechanical, thermal, and electrical interface between a silicon arm and a TMP aluminum can in a NIF ignition target. During assembly, sixteen silicon pads are bonded to the aluminum using a fixture that positions the components and applies a repeatable prescribed displacement through a compliant flexure. The flexure converts fixture interference into displacement and reaction force. Because bondline thickness variation must be maintained within +/-4 µm, consistent flexure behavior is important to the assembly process. With a recent string of TMPSAs exhibiting low bond strength, the flexures were inspected. Despite being manufactured to the same specifications, flexures were found to exhibit variation in measured stiffness. Additionally, the measured stiffness values did not always follow the presumed beam mechanics model. This work addresses two questions: whether the bonding fixture is working as intended, and whether the previously made stiffness measurements are accurate representations of the use case. The flexures are analyzed using Euler-Bernoulli beam theory, measured beam dimensions, finite element analysis, and tolerance stack-up calculations. The analysis shows that the fixed-guided beam mechanics model appropriately represents the flexure during TMPSA bonding, but the chisel-tip stiffness measurement method introduces a deformation to the inner ring of the flexure that is not represented during use. The measured stiffness values should therefore be interpreted as test-condition stiffness values rather than direct measurements of operational flexure stiffness. The discrepancy is therefore attributed primarily to the measurement boundary condition rather than to failure of the fixed-guided beam model. Recommendations are provided for GD&T, dimensional inspection, and a representative stiffness testing method to better control bondline variation.

42 ENGINEERING↗

PDE-constrained high-order mesh optimization

Here, we present a novel framework for PDE-constrained r-adaptivity of high-order meshes. The proposed method formulates mesh movement as an optimization problem, with an objective function defined as a convex combination of a mesh quality metric and a measure of the accuracy of the PDE solution obtained via finite element discretization. The proposed formulation achieves optimized, well-defined high-order meshes by integrating mesh quality control, PDE solution accuracy, and robust gradient regularization. We adopt the Target-Matrix Optimization Paradigm to control geometric properties across the mesh, independent of the PDE of interest. To incorporate the accuracy of the PDE solution, we introduce error measures that control the finite element discretization error. The implicit dependence of these error measures on the mesh nodal positions is accurately captured by adjoint sensitivity analysis. Additionally, a convolution-based gradient regularization strategy is used to ensure stable and effective adaptation of high-order meshes. We demonstrate that the proposed framework can improve mesh quality and reduce the error by up to 10 times for the solution of Poisson and linear elasto-static problems. The approach is general with respect to the dimensionality, the order of the mesh, the types of mesh elements, and can be applied to any PDE that admits well-defined adjoint operators.

Computer science↗

Near-net shaping of high-density, complex, spatially-tailored ceramics for extreme environments

The purpose of this subcontract is for LLNL to collaborate with the Subcontractor (UCSB) in the areas of binder jet additive manufacturing (BJAM), hot pressing (HP), finite element modeling (FEM), and multi-material sintering studies. LLNL wants to further develop its hot pressing, AM, and modeling capabilities through LLNL’s Early Career Faculty Program. This work will focus on developing a method to hot press complex-shaped ceramic parts through the co-deposition of a structural/functional ceramic and sacrificial mold material in one assembly via multi-material binder jet printing. The method aims to produce dense, near-net shaped parts with applications relevant to a wide variety of fields including aerospace, defense, and energy.

36 MATERIALS SCIENCE↗