Calibration and Analysis of the Parameters Sensitivity of a Molecular Dynamic Simulation for a Ni-Al Alloy

Authors

  • Facundo Arriaga Instituto de Física de Materiales Tandil (IFIMAT), Universidad Nacional del Centro de la Provincia de Bs. As. (UNCPBA), Pinto 399, Tandil CP:7000, Bs. As. / Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) - Argentina
  • Osvaldo Fornaro Instituto de Física de Materiales Tandil (IFIMAT), Universidad Nacional del Centro de la Provincia de Bs. As. (UNCPBA), Pinto 399, Tandil CP:7000, Bs. As. / Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) - Argentina
  • Fernando Lanzini Instituto de Física de Materiales Tandil (IFIMAT), Universidad Nacional del Centro de la Provincia de Bs. As. (UNCPBA), Pinto 399, Tandil CP:7000, Bs. As. / Consejo Nacional de Investigaciones Científicas y Técnicas (CONICET) - Argentina

Keywords:

Molecular Dynamics, Ni-Al, Martensitic Transformation

Abstract

The temperature-induced martensitic transformation was studied in an Al-68%at.Ni alloy using Molecular Dynamics. Temperature ramps at different heating/cooling rates were simulated for both single crystals and bicrystals. The change in transformation temperatures was analyzed according to the rates of the simulated ramps. Significant changes in the system's behavior were observed in the presence of defects in the bicrystal, particularly in the range of the beginning and end of the transformation/retransformation temperatures.

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Published

2024-06-10

How to Cite

Arriaga, F., Fornaro, O., & Lanzini, F. (2024). Calibration and Analysis of the Parameters Sensitivity of a Molecular Dynamic Simulation for a Ni-Al Alloy. AJEA (Proceedings of UTN Academic Conferences and Events), (AJEA 25). Retrieved from https://rtyc.utn.edu.ar/index.php/ajea/article/view/1537

Conference Proceedings Volume

No. AJEA 25 (2023): 8th Youth Meeting Researchers in Materials Science and Technology - JIM 2023

Section

Proceedings - Simulations

License

Copyright (c) 2024 Facundo Arriaga, Osvaldo Fornaro, Fernando Lanzini

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial 4.0 International License.