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Meeting 2023 TMS Annual Meeting & Exhibition
Symposium Alloy Development for Energy Technologies: ICME Gap Analysis
Presentation Title M-15: Molecular Dynamics Study of Gradient Energy Coefficient and Grain-boundary Migration in Aluminum Foam
Author(s) Chaimae Jouhari, Yucheng Liu, Doyl Dickel
On-Site Speaker (Planned) Chaimae Jouhari
Abstract Scope Aluminum foam is one of the most widely applied metal foams that has recently attracted many researchers’ attention due to its unique combination of properties derived from its cellular structure and base material. Previous studies have shown that the foaming process is responsible for the resulting microstructure, which in turn affects the properties of the metal foams and determines their applicability in industry. In order to facilitate the understanding of the process-structure-property-performance relation of metal foams, a phase-field model that predicts the microstructural evolution of these materials during foaming process, must be developed. In this paper, a series of molecular dynamics (MD) simulations were performed on a collection of aluminum and silicon atoms to determine the gradient energy coefficient and the grain boundary mobility of the Al-Si system, which are needed to fully parametrize an existing phase-field model developed by the authors for the aluminum foam.
Proceedings Inclusion? Planned:

OTHER PAPERS PLANNED FOR THIS SYMPOSIUM

Data Quality Evaluation and Influence on the Predictability of Data-Driven Alloy Design
Design of Creep-resistant Additively Manufactured Stainless Steels for Nuclear Reactors
Electronic NIST/TRC Resource for Thermophysical Property Data of Metal Systems
ExtremeMat: towards Microstructure and Composition Sensitive Models for the Creep Deformation of Engineering Steels
Filling Data Gaps with ICME Tools and Identifying Data Gaps in ICME Tools: A Case Study in Precipitation Kinetics
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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