Engineering Papers⌕ Search

SEARCH · Engineering Papers

Results for “Modeling of Metal AM”

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.

Quote a phrase for an exact phrase match. Source license links do not imply unrestricted reuse.

At least 289 records · Page 16
All sourcesNASA NTRSDOE OSTI
DOE OSTI2022

New large-strain FFT-based formulation and its application to model strain localization in nano-metallic laminates and other strongly anisotropic crystalline materials

This paper presents a new robust large-strain (LS) elasto-viscoplastic (EVP) formulation based on Fast Fourier Transforms (FFTs) for the prediction of the micro-mechanical response and microstructure evolution of polycrystalline and multiphase materials, with emphasis on the effect of strong crystallographic and/or morphologic anisotropy on localization of plastic deformation. In this work, the novel LS-EVPFFT formulation allows treatment of complex initial geometries and large deformations considering three grids of material points: a regular grid in the reference configuration, where FFTs can be performed; an irregular grid in the initial configuration, created by applying a stress-free displacement field to the reference regular grid; and an irregular grid in the current configuration, undergoing large strains and rotations as the material is loaded. Further numerical stability of the new formulation also required the use of a novel expression for the discrete modified Green’s operator, which reduces spurious field oscillations. After presenting and validating the new formulation by comparison with preexisting implementations and analytical solutions, LS-EVPFFT is applied to the prediction of slip and kink bands formation in polycrystalline columnar ice, and kink bands in single crystal zinc wires, showing good agreement with classic experiments. Finally, the model is used to study kink band formation during compression of Cu–Nb nano-metallic laminates (NMLs), in which accurate treatment of the complex geometry associated with the tortuosity of interfaces and large deformations become critical, showing consistency with corresponding micropillar experiments.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Metallic fuel transient fuel-cladding interface liquefaction model assessment platform enabled by integrating BISON with databases

A novel platform has been developed within the BISON fuel performance code to assess models of fuel-cladding interface liquefaction for sodium-cooled fast reactor (SFR) metallic fuels. Here, this platform is crucial because liquefaction at the fuel-cladding interface significantly impacts fuel performance and may compromise fuel pin integrity during transient events. To ensure accurate predictions, the platform integrates data collected during the Integral Fast Reactor (IFR) program, now archived in metallic fuel databases. This integration supports verification and validation (V&V) of the models in BISON. Leveraging the extensive US experience with metallic fuel liquefaction and the collections of preserved legacy data, the platform serves as a powerful tool for evaluating existing models and advancing the development of new ones.

11 - NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2025

High-Speed and High-Quality Field Welding Repair Based on Advanced Non-Destructive Evaluation and Numerical Modeling

Creep strength-enhanced ferritic (CSEF) steels such as Grade 91 (9Cr-1Mo-V) and Grade 92 (Fe-9Cr-2W-0.5Mo) steels are widely used in the fossil-fuel-fired and nuclear power plants. The weld integrity of these steels is crucial for power plants' safe and reliable operations. Due to harsh service conditions, the steel weld can become susceptible to environmental degradation. Field welding repair is used to restore the degraded weld’s performance where a controlled temper-bead welding technique is commonly used to temper the freshly formed martensite during welding. However, knowledge of weld repairability is limited and experimental trial and error optimization to achieve desired microstructure and joint properties is expensive and time-consuming. Many existing computational models, e.g., finite element models, are limited to solving heat conduction equation and ignoring convective heat transfer due to molten metal flow. These models can result in over-prediction of peak temperatures of weld pool and heat-affected zone (HAZ), which in turn can affect the accuracy of tempering prediction. Moreover, these finite element models require an input of the deposit profiles in advance and thus limits the usability of these models. Here, a molten pool-based, multi-pass multi-layer model has been developed based on computational fluid dynamics (CFD) approach with the Volume of Fluid (VOF) method. The model calculates the bead formation, thereby eliminating the need for pre-determined bead profiles required by finite element models. For computational efficiency, a coordinate system attached to the moving heat source is utilized. A subroutine is developed to convert the temperature profiles in the reference frame stationary to the heat source to that stationary to the workpiece. The converted thermal cycles are then imported into a microstructure model to compute the tempering kinetics and resultant hardness using a Johnson-Mehl-Avrami-Kolmogorov (JMAK), and modified Grange-Baughman parameter. The modeling approach is first developed and validated on single- and multi-pass deposition of stainless steel filler metal onto a SA-533 high strength steel substrate. The models are then applied to a multi-pass V-groove repair weld of Grade 91 steel plate as well as directed energy deposition of Grade 92 steel. Non-destructive characterization of microstructures was performed on Grade 91 and 92 steel welds. Two welding processes, cold metal transfer (CMT) and flux-cored arc welding (FCAW), were investigated for the Grade 91 steel weld samples. For the Grade 92 weld samples, three different heat inputs (low, medium, and high) of gas tungsten arc welding (GTAW) were utilized to replicate traditional field welding processes. The non-destructive evaluation (NDE) method used for this research was immersion ultrasonic testing (UT) using a micro-resolution ultrasonic imaging methodology specifically designed to operate in the through-transmission configuration operating at 20 MHz of frequency. The system used a focused ultrasonic beam spot size diameter between 250-300 μm, and a 6 μm laser vibrometer spot size for detection, to produce highly defined images with longitudinal and mode-converted shear waves. From the micro-resolution ultrasonic C-scan images, three microstructural regions, i.e., weld metal (WM), HAZ, and base metal (BM), were clearly identifiable. Various levels of ultrasonic amplitudes distributed over the three regions were correlated with electron beam backscattered diffraction (EBSD) images using grain size, grain boundaries, and dislocation densities. The results showed that areas with relatively higher ultrasonic amplitude levels were associated with smaller grains and higher dislocation densities, while areas with lower amplitude levels were associated with larger grains and lower dislocation densities. In addition, ultrasonic velocity data obtained across the three different weld microstructural regions of Grade 91 test samples were correlated with optical metallographic images and hardness measurements. The results showed distinctive decreases in ultrasonic velocity and hardness over the HAZ region, where weld failures often occur during service.

36 MATERIALS SCIENCE↗
DOE OSTI2024

Fuel Performance Evaluation of THOR-C Experiments

The Temperature Heatsink Overpower Response Commissioning (THOR-C) and THOR-Metal (THOR-M) experiments will be performed as part of an ongoing project for testing sodium fast reactor fuels with the Japan Atomic Energy Agency (JAEA). The THOR-C experiments consist of fresh metallic fuel pins and have been analyzed using the ABAQUS, Ansys codes and the BISON fuel performance code. THOR-M-Loss of Flow-1 (THOR-M-LOF-1) is designed to test an EBR-II irradiated fuel pin under LOF conditions. Simulation of the THOR-MLOF-1 experiment required first simulating the base irradiation of the fuel pin in EBR-II. MFUEL module of SAS4A/SASSYS-1 [1] is a physics-based metallic fuel performance model applicable to the normal operation, transient scenarios and fuel failure modeling including scenarios with bulk fuel melting. The model has been validated using EBR-II normal operation, separate effect transient tests as well as TREAT M-Series transient tests [2]. In this study, MFUEL models has been utilized together with a new capsule heat transfer model developed in this project. The new heat transfer model was necessary due to (1) significant amount of heat losses that required 2D heat transfer, (2) the presence of a titanium heat sink, rejecting a significant amount of heat, and (3) stagnant coolant conditions, which are inconsistent with SAS4A/SASSYS-1 (SAS) heat transfer model. Updates to SAS4A/SASSYS-1 and MFUEL has been described below, followed by a preliminary validation effort using the results from THOR-C-2 fresh fuel capsule experiment. A previous study for THOR-C-2 analysis using BISON code is also utilized in this study to model this test [3]. [1] D. O’Grady, A. J. Brunett, L. Ibarra, A. Karahan, T. Kim, T. S. Sumner, R. Thomas, T. H. Fanning, “The SAS4A/SASSYS-2 Version 5.7 Safety Analysis Code System,” Argonne National Laboratory,ANL/NSE-SAS/5.7, (2023). [2] A. Karahan, T. Kim, T. Fanning, D. O’Grady, “Validation of MFUEL Metal Fuel Performance Models of SAS4A/SASSYS-1,” Argonne National Laboratory, ANL/NSE-23/11, (2023). [3] M. Mihelish, A. Zabriskie, K. Paaren, P. Medvedev, C. Jensen, “Fuel Performance Predictions for the TREAT THOR-C Experiments,” Idaho National Laboratory, INL/RPT-23-73397, Revision 0, (2023)

11 NUCLEAR FUEL CYCLE AND FUEL MATERIALS↗
DOE OSTI2020

Ultimate Strength of Metals

We present a theoretical model that predicts the peak strength of polycrystalline metals based on the activation energy (or stress) required to cause deformation via amorphization. Building on extensive earlier work, this model is based purely on materials properties, requires no adjustable parameters, and is shown to accurately predict the strength of four exemplar metals (fcc, bcc, and hcp, and an alloy). This framework reveals new routes for design of more complex high-strength materials systems, such as compositionally complex alloys, multiphase systems, nonmetals, and composite structures.

71 CLASSICAL AND QUANTUM MECHANICS, GENERAL PHYSIC↗
DOE OSTI2025

Continued Testing and Modeling of the AirSquared All-Metal Tritium Scroll Pump

The implementation of fusion energy requires the processing of the deuterium-tritium mixture used to fuel the reaction. Many gas processing operations require either a gas-motive force or a pressure gradient across a system; both are achieved using vacuum pumps. However, because of the material challenges of working with tritium, specialized pumps are required that use only metal on wetted surfaces. This prevents tritium retention and degradation of materials such as oils and polymers and reduces the generation of tritiated waste. Typical gas handling systems for tritium operations involve metal bellows pumps, all-metal scroll pumps, and metal turbomolecular pumps, depending on the pressure requirements. With the industry standard Normetex Type 15 m 3 /h (typically referred to as the Normetex 15) pump no longer available, the fusion market requires viable alternatives. In this study, we test an American-made pump, the AirSquared V16H034A-C01, and compare its performance to the Normetex. A performance model of the AirSquared pump is also produced, which can be applied to general process models to generate an accurate description of pressures and flows through various unit operations.

08 HYDROGEN↗
DOE OSTI2021

A functional modeling approach for quality assurance in metal additive manufacturing

Purpose: Due to the complexity of and variations in additive manufacturing (AM) processes, there is a level of uncertainty that creates critical issues in quality assurance (QA), which must be addressed by time-consuming and cost-intensive tasks. This deteriorates the process repeatability, reliability and part reproducibility. So far, many AM efforts have been performed in an isolated and scattered way over several decades. Here, a systematically integrated holistic view is proposed to achieve QA for AM. Design/methodology/approach: A systematically integrated view is presented to ensure the predefined part properties before/during/after the AM process. It consists of four stages, namely, QA plan, prospective validation, concurrent validation and retrospective validation. As a foundation for QA planning, a functional workflow and the required information flows are proposed by using functional design models: Icam DEFinition for Function Modeling. Findings: The functional design model of the QA plan provides the systematically integrated view that can be the basis for inspection of AM processes for the repeatability and qualification of AM parts for reproducibility. Research limitations/implications: A powder bed fusion process was used to validate the feasibility of this QA plan. Feasibility was demonstrated under many assumptions; real validation is not included in this study. Social implications: This study provides an innovative and transformative methodology that can lead to greater productivity and improved quality of AM parts across industries. Furthermore, the QA guidelines and functional design models provide the foundation for the development of a QA architecture and management system. Originality/value: This systematically integrated view and the corresponding QA plan can pose fundamental questions to the AM community and initiate new research efforts in the in-situ digital inspection of AM processes and parts.

36 MATERIALS SCIENCE↗
DOE OSTI2025

2024 Second Half Semi Annual Report: Modeling plasticity-mediated flow in metals with pressurized cavities

The objective is to better predict the bulk-scale mechanical behavior of porous metals that have over pressurized cavities (e.g., irradiated metals with helium bubbles) by quantifying the complex coupling among cavity aspects (e.g., size distribution, inhomogeneous overpressure values, spatial arrangement) and metal properties (e.g., rate-dependency, crystallographic lattice). This requires up-scaling local mechanical fields from the single crystal scale and will be accomplished using a homogenization approach that combines full-field numerical simulations, analytical formalisms, and physics-informed machine learning to produce symbolically-defined constitutive equations (e.g., gauge functions). These equations will satisfy the objective because they enable computationally efficient predictions that approach the accuracy of computationally expensive full-field numerical simulations, abide by theoretical requirements (e.g., conservation of energy, work conjugacy), and retain the transparency of analytical models.

36 MATERIALS SCIENCE↗
DOE OSTI2022

Modeling Vapor Transport Deposition of Metal-halide Perovskite Thin Films for Photovoltaic and Optoelectronic Devices

Over the past decade, metal halide perovskites (MHPs) have emerged as a promising materials platform for high-efficiency solar cells and low-cost optoelectronics. However, there are challenges that frustrate the large-scale manufacturing of MHP devices, including difficulty in controlling film composition, interface formation and their device instability under ambient conditions. Vapor processing offers an attractive path to manufacturability, while also opening the door to new opportunities in device design that could favorably impact ultrahigh efficiency tandem solar cells or overall stability. Emphasis here is on the use of an alternate processing methodology, vapor transport deposition (VTD), to deposit the MHP layer. In experimental work, we found that our deposition system had significant run-to-run variations in film thickness and composition. To understand and resolve these issues, we use COMSOL Multiphysics software to model the precursor deposition rate numerically, trying to guide the broad range of parameters in the system. The result can be matched with experimental data and provides insight into system hydrodynamics and molar transport effects. Finally, we show that chamber pressure is a key factor to scale up the VTD technique.

Hsu, Wan-Ju↗
DOE OSTI2022

Modeling Vapor Transport Deposition of Metal-halide Perovskite Thin Films for Photovoltaic and Optoelectronic Devices

Over the past decade, metal halide perovskites (MHPs) have emerged as a promising materials platform for high-efficiency solar cells and low-cost optoelectronics. However, there are challenges that frustrate the large-scale manufacturing of MHP devices, including difficulty in controlling film composition, interface formation and their device instability under ambient conditions. Vapor processing offers an attractive path to manufacturability, while also opening the door to new opportunities in device design that could favorably impact ultrahigh efficiency tandem solar cells or overall stability. Emphasis here is on the use of an alternate processing methodology, vapor transport deposition (VTD), to deposit the MHP layer. In experimental work, we found that our deposition system had significant run-to-run variations in film thickness and composition. To understand and resolve these issues, we use COMSOL Multiphysics software to model the precursor deposition rate numerically, trying to guide the broad range of parameters in the system. The result can be matched with experimental data and provides insight into system hydrodynamics and molar transport effects. Finally, we show that chamber pressure is a key factor to scale up the VTD technique.

Hsu, Wan-Ju↗
DOE OSTI2020

Hf‐W chronology of a macrochondrule from the L5/6 chondrite Northwest Africa 8192

Abstract A large, igneous‐textured, and 2 cm‐sized spherical object from the L5/6 chondrite NWA 8192 was investigated for its chemical composition, petrography, O isotopic composition, and Hf‐W chronology. The petrography and chemical data indicate that this object closely resembles commonly found chondrules in ordinary chondrites and is therefore classified as a “macrochondrule.* As a result of metal loss during its formation, the macrochondrule exhibits elevated Hf/W, which makes it possible to date this object using the short‐lived 182 Hf‐ 182 W system. The Hf‐W data provide a two‐stage model age for metal–silicate fractionation of 1.4 ± 0.6 Ma after Ca‐Al‐rich inclusion (CAI) formation, indicating that the macrochondrule formed coevally to normal‐sized chondrules from ordinary chondrites. By contrast, Hf‐W data for metal from the host chondrite yield a younger model age of ~11 Ma after CAIs. This younger age agrees with Hf‐W ages of other type 5–6 ordinary chondrites, and corresponds to the time of cooling below the Hf‐W closure temperature during thermal metamorphism on the parent body. The Hf‐W model age difference between the macrochondrule and the host metal demonstrates that the Hf‐W systematics of the bulk macrochondrule were not disturbed during thermal metamorphism, and therefore, that the formation age of such objects can still be determined even in strongly metamorphosed samples. Collectively, this study illustrates that chondrule formation was not limited to mm‐size objects, implying that the rarity of macrochondrules reflects either that this process was very inefficient, that subsequent nebular size‐sorting decimated large chondrules, or that large precursors were rare.

58 GEOSCIENCES↗
DOE OSTI2024

A machine learning approach for determining temperature-dependent bandgap of metal oxides utilizing Allen–Heine–Cardona theory and O’Donnell model parameterization

To evaluate the high temperature sensing properties of metal oxide and perovskite materials suitable for use in combustion environments, it is necessary to understand the temperature dependence of their bandgaps. Although such temperature-driven changes can be calculated via the Allen–Heine–Cardona (AHC) theory, which assesses electron–phonon coupling for the bandgap correction at given temperatures, this approach is computationally demanding. Another approach to predict bandgap temperature-dependence is the O’Donnell model, which uses analytical expressions with multiple fitting parameters that require bandgap information at 0 K. This work employs data-driven Gaussian process regression (GPR) to predict the parameters employed in the O’Donnell model from a set of physical features. We use a sample of 54 metal oxides for which density functional theory has been performed to calculate the bandgap at 0 K, and the AHC calculations have been carried out to determine the shift in the bandgap at non-zero temperatures. As the AHC calculations are impractical for high-throughput screening of materials, the developed GPR model attempts to alleviate this issue by predicting the O'Donnell parameters purely from physical features. To mitigate the reliability issues arising from the very small size of the dataset, we apply a Bayesian technique to improve the generalizability of the data-driven models as well as quantify the uncertainty associated with the predictions. The method captures well the overall trend of the O’Donnell parameters with respect to a reduced feature set obtained by transforming the available physical features. Quantifying the associated uncertainty helps us understand the reliability of the predictions of the O’Donnell parameters and, therefore, the bandgap as a function of temperature for any novel material.

36 MATERIALS SCIENCE↗
DOE OSTI2025

Helium bubble formation in aged plutonium metal at ambient conditions

A model of helium bubble formation is developed that assumes the initial nascent bubbles are generated when two diffusing helium atoms come within a distance of about the interatomic spacing of the plutonium atoms. These nascent bubbles are assumed to be locked in place and grow as additional helium atoms diffuse across their surfaces. Calculations of the helium-bubble number density and sizes as a function of age are compared to experiment. This leads to an inferred helium diffusion coefficient of-the-order of 10 -20 m 2 /s, supports the idea that most of the helium from alpha-decay end up in bubbles, and that previous transmission electron microscopy size estimates are biased low. The energy that helium can transfer to 40-year-old plutonium, upon expansion, is determined to be <0.1 Joules per gram of metal. The model predicts differences between the bubble properties in naturally and accelerated aged plutonium.

36 MATERIALS SCIENCE↗