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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title Phase-field Modeling of Aluminum Foam Based on Molecular Dynamics Simulations
Author(s) Chaimae Jouhari, Yucheng Liu, Doyl Dickel
On-Site Speaker (Planned) Chaimae Jouhari
Abstract Scope This paper presents a phase-field model that is consistent with the multiphase system of aluminum foam to predict the microstructural evolution involved in the foaming process of the aluminum foam and its final microstructure. The phase-field model characterizes the microstructure of the foam material with a set of material constants calibrated through experiments and molecular dynamics (MD) calculations. A series of MD simulations were performed on a group of aluminum and silicon (Al-Si) atoms, whose potentials were defined using the angular dependent potential (ADP). The MD results such as diffusion, and specific heat capacity are used as input parameters for the developed phase-field model. The developed phase field model will predict the microstructural evolution of metal foams during foaming processes and will be further used to establish a multiscale computational framework that bridges the process, structure, property and performance of metal foams.
Proceedings Inclusion? Planned:

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M-15: Molecular Dynamics Study of Gradient Energy Coefficient and Grain-boundary Migration in Aluminum Foam
Materials-by-Design Utilizing ICME Tools and Crucial Next-generation Needs
Phase-field Modeling of Aluminum Foam Based on Molecular Dynamics Simulations
Phase Field Dislocation Dynamics Modeling of Shearing Modes in Ni2(Cr,Mo,W)-containing HAYNES® 244® Superalloy
Theory-guided Design of High-strength, Ductile Multi-principal-element Alloys with Validation for High-temperature Energy Technologies
Towards FAIR Simulation Workflows: nanoHUB’s Sim2Ls and ResultsDB
Unsupervised Techniques for Outlier Identification in Alloy Datasets
Voxelized Representations of Atomic Systems for Machine Learning Applications
VPSC's New Clothes: Developing a Modern MATLAB API for Automating High-throughput VPSC Experiments

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