About this Abstract |
Meeting |
2023 TMS Annual Meeting & Exhibition
|
Symposium
|
Advanced Functional and Structural Thin Films and Coatings & Honorary Palkowski Session
|
Presentation Title |
Study of Crystallization of Amorphous Metals through Molecular Dynamics Simulations |
Author(s) |
Prashant Dwivedi, Alberto Fraile , Tomáš Polcar |
On-Site Speaker (Planned) |
Prashant Dwivedi |
Abstract Scope |
Amorphous materials, such as amorphous alloys and metallic glasses are of current interest due to their unusual properties including high strength, good corrosion resistance, and much higher hardness than crystalline alloys of comparable elastic modulus. Amorphous materials also offer promising routes for the design of multilayered coatings with improved mechanical properties.
Today the available computation power allows accurate and large size Molecular Dynamics (MD) simulations of almost any kind of system, this way guiding experiments and design of new materials.
The crystallization of refractory metals (W, Nb, Ta, V, Mo) plus Fe, Cr has been examined using MD simulations. All these metals are more stable in their usual bcc structure, so under indentation, a growth of bcc crystals is observed. A simple model correlating crystal-forming ability with few thermodynamic properties will be presented. The model has been tested for fcc metals and binary alloys as well. |
Proceedings Inclusion? |
Planned: |
Keywords |
Computational Materials Science & Engineering, Modeling and Simulation, Other |