Calibración y Análisis de la Sensibilidad de Parámetros en una Simulación  de Dinámica Molecular para una Aleación de Ni-Al

Facundo Arriaga; Osvaldo Fornaro; Fernando Lanzini

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