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At least 55 records · Page 3

Lattice Structured Lightweight Structural Materials

The development of lightweight structural materials is crucial for enhancing the performance and deployment feasibility of fission batteries. This study aims to produce lightweight structural materials whose strength-to-weight ratios exceed those of current widely used structural materials. To achieve this, advanced modeling and simulation tools were employed to design lattice structures with different lattice parameters and different lattice types. A process was successfully developed for transforming lattice-structured models into Multiphysics Object Oriented Simulation Environment (MOOSE) inputs. Finite element modeling (FEM) was used to simulate the uniaxial tensile testing of the lattice-structured parts to investigate the stress distribution at a given displacement. The modeling results showed that the lattice-structured sample displayed a lower Young’s modulus in comparison to the solid material; the increase in solid shell thickness and blend radius enhances the mechanical performance; and the effect of unit cell size on macro scale stress is minimal. Tensile testing was conducted on the solid and lattice-structured materials fabricated by laser powder bed fusion (LPBF) additive manufacturing. The experimental results agreed well with the model prediction. The approach of using modeling as a guiding tool for preliminary material design can significantly save time and cost for new material development.

lightweight material↗

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↗

Validating corrosion models: A comparison of governing equations

Experimental validation of Finite Element Method (FEM) models varying electrochemical governing equations, inclusion of chemical reactions, and time on the resultant damage profile for two galvanic couples is explored. Two anode materials (Magnesium AZ31 and Carbon Steel) in contact with a cathode (Stainless Steel 304 L) were modeled in/exposed to NaCl (1 and 0.1 M respectively for the anode materials) for up to one week. The physics approach, inclusion of chemical reactions, and the boundary conditions required to accurately represent the damage profile in FEM models depended on the galvanic couple materials and, ultimately, the corrosion rate. For high rates of corrosion (i.e., magnesium anode), the Nernst-Planck equation with Electroneutrality was sufficient to describe the damage, while, for low rates of corrosion (i.e., carbon steel anode), the Laplace equation was sufficient. In all cases, the most complete governing equation (Nernst-Planck-Poisson Equation) was not necessary to accurately describe the damage. Precipitation reactions in solution also played a critical role in the predicted damage profile, especially for high corrosion rate systems. Finally, for short time periods (< 6 h), the choice of governing equations does not significantly influence damage profile results. Overall, the choice of physics to reduce error in simulations relies on the boundary conditions, geometry, conductivity of the solution, electrochemical potential differences, and time of exposure. The above results are discussed with regard to accuracy and computational savings.

Carbon steel↗

A Multi-Scale Computational Platform for Predictive Modeling of Corrosion in Al-Steel Joints (Final Report)

The research team proposed to develop innovative multi-scale models to predict corrosion and the resulting mechanical performances in aluminum-steel joints. The methods of joining considered are resistance spot welding, self-piercing riveting, and rivet-welding, all suitable for mass production applications. The multi-scale models integrate high throughput first-principle calculations based on density functional theory (DFT), high throughput calculation of phase diagrams (CALPHAD) modeling, and finite element method (FEM) simulations. These models are to be validated through laboratory experiments. Furthermore, the models are available as open source so as to enable scientists and engineers in the community to adapt and contribute to the development and application. The approaches rely on the research team’s extensive experience on the prediction of properties of individual phases at finite temperatures and variable compositions through DFT calculations, and our broad expertise on dissimilar material joining and their corrosion. The proposed computational framework enables high throughput computations for improved predictions of corrosion and the associated mechanical performance in dissimilar material joints, resulting in significant reduction in computational time needed by the current state-of-the-art methods. With the participation of researchers from three universities, an auto manufacturer, two manufacturing technology/equipment suppliers, and a software developer/vendor, the interdisciplinary research team applies the technical development on both phase-based modeling and laboratory experiments into the automobile body joining processes for validation and technology demonstration. The global cost of corrosion was estimated at about 3.4% of the global GDP in 2013. By using available corrosion control practices, it is estimated a saving between 15-35% of the cost of corrosion. In the U.S., more than $276 billion is spent repairing corrosion damage. Prediction of the corrosion and its impact on performance of the dissimilar material joints is critical for reducing the massive number of the current corrosion-based recalls for automobiles. Thus, the project goal is to develop models to enable predictive maintenance and end-of-life planning of multi-metal joints with risk of corrosion under different conditions such as exposure to high temperatures in summer and salt solutions in winter, quantified through its pH. An academia-industry consortium led by the University of Michigan and including Pennsylvania State University, University of Illinois Urbana-Champaign, University of Georgia, General Motors Company, Livermore Software Technology Corporation, and Optimal Process Technologies, LLC. created multi-scale models for prediction of corrosion in aluminum-steel joint structures such of them used in vehicle subassemblies – chassis and transmission systems. Starting from the first principle calculations, the team developed mathematical and data-driven models to predict the metallic components, which are formed during joining of two metals, for example aluminum and steel - a lightweight multilateral system which is currently used in more than 60% car bodies. These models were used for simulating chemical reactions that are happening when the joining metallic components are exposed to high temperatures and different pH values. The team was able to predict how the corrosion installs on the metallic components and how they lead to a sudden failure of components in cars. Newly developed machine learning algorithms combining Science, Technology, Engineering and Math disciplines, advanced finite element simulation and experimental validations have been integrated in a platform for prediction of the corrosion evolution and prediction the failure of joints under mechanical loadings and fatigue. Moreover, based on machine learning and inverse analysis, the team proposed solutions for designing new metallic alloys less susceptible to corrosion when joining multi-material assembles. An average of 4% error compared with experiments was achieved for the most common joints that are used in vehicle subassemblies.

36 MATERIALS SCIENCE↗

Finite-element-based simulations of electrodes for CO 2 cascade reduction reactions

The multielectron reduction of CO 2 to liquid fuels could be a path to scalable energy storage, but reaching this goal requires major advances in catalysis and systems engineering. Cascade catalysis, which couples sequential reactions without isolating intermediates, has emerged as a promising route to enhance selectivity and efficiency in CO 2 reduction (CO 2 R). In this review, we examine how finite-element-based simulations of continuum model [finite element method (FEM)] approaches are being used to analyze and guide CO 2 R cascade systems. We first outline the fundamentals of cascade catalysis and recent advances in catalytic materials (metallic, molecular, and hybrid architectures). We then focus on FEM developments at the electrode and device scales, emphasizing how these models capture transport phenomena, local microenvironments, and geometry-dependent effects. To clarify design principles, we present case studies of cascade electrodes organized in systems without and with integrated semiconductors. We further emphasize the integration of FEM with multiscale frameworks (density functional theory, molecular dynamics, kinetic Monte Carlo) and its role in bridging atomic-level insights with device-level performance. Finally, we identify current limitations and future prospects, including improved boundary conditions, coupling with operando experiments, and machine learning-accelerated model development. Together, these insights provide design principles for next-generation CO 2 R cascade systems for efficient solar fuel production.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

An analysis of parameters affecting ampacity in aircraft bipolar MVDC power cables via coupled electrical, thermal, and computational fluid dynamic modelling

Abstract The next generation of aircraft, including more electric aircraft and all‐electric aircraft (AEA), requires electric power systems with high power density and low system mass specifications. Increasing the voltage of the system to the range of a few kV, medium voltage (MV), is a reasonable approach to achieving high‐power‐density and low‐system‐mass EPSs for aircraft applications. Higher voltages, however, pose many challenges for aviation MV power cables such as arcs and arc tracking, partial discharges (PDs), and thermal management. In this regard, thermal management is more challenging since heat transfer by convection is greatly reduced at wide‐body aircraft's cruising altitudes due to the reduced air pressure. In this paper, a finite element method (FEM) model is developed in COMSOL Multiphysics for an aircraft bipolar MVDC (±5 kV) power cable. Using the model, the maximum permissible cable current at a low pressure of 18.8 kPa (at an altitude of 12.2 km from sea level, the usual cruising altitude for wide‐body aircraft) is calculated. Also, an analytical model is developed based on analytical and proven empirical correlations governing conductive, radiative, and convective heat transfers at the steady state to estimate the ampacity of the bipolar cable system at reduced pressure. It was shown that the proposed analytical model can be used for atmospheric pressure and systems with a larger number of poles, expanding its range of applications. The results of the FEM and analytical models correlate at wide ranges of parameters such as ambient temperature, duct size, distance between the positive and negative pole cables, and the overall diameter of the cables. The influence of horizontal and vertical arrangement of poles is included in the analytical model. The results of this study can be used to design bipolar MVDC power cable systems for the envisaged wide‐body AEA.

Azizi, Arian↗

Digital Tools for the Preventive Conservation of Built Heritage: The Church of Santa Ana in Seville

Historic Building Information Modelling (HBIM) plays a pivotal role in heritage conservation endeavours, offering a robust framework for digitally documenting existing structures and supporting conservation practices. However, HBIM’s efficacy hinges upon the implementation of case-specific approaches to address the requirements and resources of each individual asset and context. This paper defines a flexible and generalisable workflow that encompasses various aspects (i.e., documentation, surveying, vulnerability assessment) to support risk-informed decision making in heritage management tailored to the peculiar conservation needs of the structure. This methodology includes an initial investigation covering historical data collection, metric and condition surveys and non-destructive testing. The second stage includes Finite Element Method (FEM) modelling and structural analysis. All data generated and processed are managed in a multi-purpose HBIM model. The methodology is tested on a relevant case study, namely, the church of Santa Ana in Seville, chosen for its historical significance, intricacy and susceptibility to seismic action. The defined level of detail of the HBIM model is sufficient to inform the structural analysis, being balanced by a more accurate representation of the alterations, through linked orthophotos and a comprehensive list of alphanumerical parameters. This ensures an adequate level of information, optimising the trade-off between model complexity, investigation time requirements, computational burden and reliability in the decision-making process. Field testing and FEM analysis provide valuable insight into the main sources of vulnerability in the building, including the connection between the tower and nave and the slenderness of the columns.

Chaves, Estefanía↗

Evaluating the bond strength and fracture mechanisms of cold-sprayed zinc coating on AZ91 magnesium substrate via a combined experimental and computational approach

Magnesium (Mg) alloys are ideal candidates for automotive applications due to their high strength to weight ratio, castability, recyclability etc., however, they lack corrosion and oxidation resistance. Solid-state deposition techniques, such as cold spray, have been demonstrated to enhance their corrosion resistance as it relies on the severe plastic deformation of powder particles upon impact with the substrate to form a metallurgical bond with the substrate and within the coating. At cold sprayed interfaces, a heterogeneous microstructure is formed that includes some porosity, oxides and intermetallics which can significantly affect coating performance. Thus, establishing a direct correlation between the interface microstructure and its properties can aid in designing optimal cold spray parameters. In this study, we investigated the microstructure and mechanical properties of a zinc (Zn) coating deposited on a high pressure die cast (HPDC) AZ91 Mg substrate via high resolution scanning transmission electron microscopy, in situ micro-tensile testing, and finite element method (FEM) modeling. Micro-tensile pillars fabricated using the plasma focused ion beam (PFIB) successfully isolates the coating-substrate interface within the gauge length. The average bond strength of Zn-Mg interface was determined to be ∼140 MPa with failure occurring partially at the interface and mostly into the coatings. A detailed microstructural characterization revealed evidence of a strong metallurgical bonding at the Zn-Mg interface and formation of the C14 MgZn 2 laves phase interlayer resulting in a mixed mode of fracture during the micro-tensile experiments. FEM modeling reveals the stress distribution along the interfaces and suggests that a MgZn 2 layer thickness between 200–400 nm is optimum to increase the bond strength and minimize the triaxiality. Such a site-specific interfacial analysis with correlative computational modeling provides crucial insight into the overall performance of cold spray interfaces.

Bond strength↗

Quantitative kinetic rules for plastic strain-induced α - ω phase transformation in Zr under high pressure

Plastic strain-induced phase transformations (PTs) and chemical reactions under high pressure are broadly spread in modern technologies, friction and wear, geophysics, and astrogeology. However, because of very heterogeneous fields of plastic strain $E$ p and stress σ tensors and volume fraction c of phases in a sample compressed in a diamond anvil cell (DAC) and impossibility of measurements of σ and $E$ p , there are no strict kinetic equations for them. Here, we develop a kinetic model, finite element method (FEM) approach, and combined FEM-experimental approaches to determine all fields in strongly plastically predeformed Zr compressed in DAC, and specific kinetic equation for α-ω PT consistent with experimental data for the entire sample. Since all fields in the sample are very heterogeneous, data are obtained for numerous complex 7D paths in the space of 3 components of the plastic strain tensor and 4 components of the stress tensor. Kinetic equation depends on accumulated plastic strain (instead of time) and pressure and is independent of plastic strain and deviatoric stress tensors, i.e., it can be applied for various above processes. Our results initiate kinetic studies of strain-induced PTs and provide efforts toward more comprehensive understanding of material behavior in extreme conditions.

36 MATERIALS SCIENCE↗

Pit Stability Predictions of Additively Manufactured SS316 Surfaces Using Finite Element Analysis

Stainless steels are susceptible to localized forms of corrosion attack, such as pitting. The size and lifetime of a nucleated pit can vary, depending on a critical potential or current density criterion, which determines if the pit repassivates or continues growing. This work uses finite element method (FEM) modeling to compare the critical pit radii predicted by thermodynamic and kinetic repassivation criteria. Experimental electrochemical boundary conditions are used to capture the active pit kinetics. Geometric and environmental parameters, such as the pit shape and size (analogous to additively manufactured lack-of-fusion pores), solution concentration, and water layer thickness were considered to assess their impact on the pit repassivation criterion. The critical pit radius (the transition point from stable growth to repassivation) predicted for a hemispherical pit was larger when using the repassivation potential (E rp ) criteria, as opposed to the current density criteria (pit stability product). Including both the pit stability product and E rp into its calculations, the analytical maximum pit model predicted a critical radius two times more conservative than the FEA approach, under the conditions studied herein. The complex pits representing lack-of-fusion pores were shown to have minimal impact on the critical radius in atmospheric conditions.

37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CH↗

Effective sensor location for detection of change in structural dynamic response

This paper investigates the sensitivity of structural system response to the sensor location by investigating consequences of small changes in the location to the structural system response. The paper discusses how maximum observability (based on mode shape and the participation of that mode in the input provided) drives optimal location. The structural responses were investigated in terms of the g-rms response for various low-frequency inputs (pure sinusoids and real-life inputs such as an earthquake and trains). Results were then analyzed in the context of Modal Contributions Factors (MCF) and changes to the Force-to-response Transfer Functions (TRFs). A modal-matching process is first presented using a Matlab TM -based Finite Element Method (FEM) model of a cantilever beam and instrumentation to determine the location of a small mass based on three different criteria. Subsequently, the structural response is investigated using experiments and the FEM model. The accelerometer of small mass (at 1/3 height) was moved up or down to obtain changes in the structural response (TRF) to various realistic low-frequency inputs. Modal Contribution Factor (MCF) and derivative (slope) of the associated mode-shapes were correlated to the observed changes in TRFs. Results show how optimal sensor locations for detecting change in structural response can be based on the MCFs and the associated mode-shapes.

Woodall, J.↗

Effects of Geometric Discontinuities on Creep Behavior of Alloy 617

Due to the excellent long-term high-temperature performance of Alloy 617, the Alloy has been identified as the primary structural material for the intermediate heat exchanger of the Very High Temperature Reactor (VHTR). Both the base and welded alloy has been qualified to be used up to 950 °C up to 100,000 hours by the American Society of Mechanical Engineer (ASME) Boiler and Pressure Vessel Code (BPVC). The qualification properties of the material were exclusively determined by uniaxial creep tests. The components may, however, experience multiaxial stress conditions in service due to the reactor geometry. This study used notched creep tests to investigate the effect of geometric discontinuities on creep behavior of both the base and welded Alloy 617. The V-notch tests reveal that the geometric discontinuities do not reduce the creep rupture live under high and intermediate stress conditions. The U-notch tests show that a larger radius notch behave in a similar way as a straight gauge section of a uniaxial test. The creep rupture live of the welded alloy was slightly longer than the base metal.

36 - MATERIALS SCIENCE↗

Validating corrosion models: Influence of physical properties

In chloride containing environments, two metals in physical contact can undergo galvanic corrosion limiting the lifetime of components. Being able to accurately predict galvanic corrosion damage distributions over time has not been widely presented in literature. Therefore, Finite Element Method (FEM) corrosion models were experimentally validated for two galvanic couples as a function of governing equations, environment, anode material, anode:cathode ratio, and time. Carbon steel/stainless steel (CS/SS) and zinc/stainless steel (Zn/SS) galvanic couples were exposed to NaCl solutions at room temperatures for up to 14 days. For the galvanic couples and environments, the Laplace equation with variable conductivity and reactions was sufficient to model the experimental corrosion damage. Increasing the chloride concentration for the CS/SS galvanic couple, regardless of the anode:cathode ratio, decreased the observed and modeled corrosion damage. Decreasing the anode:cathode ratio (i.e., increasing the cathode length), increased the experimentally observed and modeled corrosion damage. For small anode:cathode ratios, the governing equations deviate over long time periods with the Nernst-Plank equation being conservative. For the Zn/SS galvanic couple, the cathode length controls the dominant cathodic reduction reaction. For small cathode lengths, the hydrogen evolution reaction is dominant. For larger cathode lengths, the oxygen reduction reaction is dominant. The results are discussed with regard to the influence of solution chemistry, ohmic drop, and governing reactions. Overall, validated FEM models were presented, and the resultant models, physics, and mechanisms can be applied to other corrosion scenarios with confidence.

Carbon steel↗

COUPLING SMOOTHED PARTICLE HYDRODYNAMICS WITH FINITE ELEMENT METHOD TO SIMULATE RESIDUAL STRESSES FROM FRICTION STIR PROCESSING

Friction stir processing (FSP) is a solid-state material processing technique that locally modifies the microstructure but also induces undesirable residual stresses. A robust numerical model for the FSP can help in mitigating these residual stresses. Heat source models within a finite element method (FEM) framework suffer from inaccuracies. In contrast, smoothed particle hydrodynamics (SPH) model that explicitly captures the material flow near the tool and the associated heat generation are accurate. However, the computational expense of SPH simulations can be prohibitive. In this work, we propose a coupled SPH-FEM framework. SPH is used to model the heat generation accurately near the tool and which is then inserted into to the FEM model as a heat source. To verify this proposed coupling approach, a test case is set up with typical FSP conditions and it is modeled in both SPH and SPH-FEM. The temperatures profiles were compared after the simulations have reached steady-state temperatures. The similarity of the temperature profiles from SPH-FEA and SPH validated the proposed coupling approach. This proposed approach achieves the accuracy of the SPH method while potentially retaining the low computational expense of FEM.

smoothed particle hydrodynamics, Finite Element Me↗

Microstructure-process relationships in monolithic U-10Mo fuel foil single-pass rolling: A parametric simulation study

In this work, a previously validated coupling of Kinetic Monte Carlo (KMC) Potts Model and finite element method (FEM) simulations was implemented to investigate the effects of microstructural features in as-cast and homogenized monolithic U-10Mo foils on the emergent microstructure after rolling and reheating. Parameters that could potentially affect recrystallization behavior of the rolled U-10Mo foils were considered: grain size distribution, uranium carbide (UC) size distribution, UC volume fraction, spatial distribution of UC, and rolling reduction magnitude. Grain structure and the magnitude of rolling reduction have the strongest influence on recrystallization kinetics and the fabricated grain size distribution. The UC distribution had only a weak effect on the recrystallization kinetics and final microstructures. While particle-stimulated nucleation (PSN) occurred in simulation more frequently as grain size increased, its incidence did not appear to considerably affect the recrystallization kinetics or grain size distribution.

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗