About this Abstract |
Meeting |
2026 TMS Annual Meeting & Exhibition
|
Symposium
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Functional Nanomaterials: Functional Low-Dimensional (0D, 1D, 2D) Materials 2026
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Presentation Title |
Computational Investigation of Non-Equilibrium Solidification Dynamics in Alloy Nanoparticles via Pulsed Laser-Induced Dewetting of Nanoscale Thin Films |
Author(s) |
Annaliese Colwell, Avik K. Mahata |
On-Site Speaker (Planned) |
Annaliese Colwell |
Abstract Scope |
Multi-Principal Element Alloy (MPEA)nanoparticles, such as AgNiCoCr, exhibit unique functional properties driven by elemental mixing achievable through non-equilibrium solidification. Here, we utilize molecular dynamics (MD) simulations coupled with machine learning (ML) surrogates to computationally investigate the solidification dynamics and morphological evolution of zero-dimensional (0D) nanoparticles formed by pulsed laser-induced dewetting (NLiD) of thin films. Our integrated computational framework systematically explores the effects of processing parameters, including laser fluence and pulse count, on nanoparticle morphology, size, spacing, and elemental distribution. We specifically capture the transition from segregated core-shell structures to fully mixed HEA nanoparticles. These computational insights provide essential understanding of rapid solidification kinetics, enabling predictive control over nanoparticle structure and paving the way for optimized design in catalytic, plasmonic, sensing, and advanced low-dimensional nanomaterial applications. |
Proceedings Inclusion? |
Planned: |
Keywords |
Thin Films and Interfaces, Computational Materials Science & Engineering, Solidification |