Thermodynamic Models for Stacking Fault Energy in Metals

The objective of this project is to provide a physical based model for predicting the energy released by defects in metallic materials. These defects are introduced into the material when it is in service and are affected by the external constraint such as load, temperature, pressure, etc.. All of these external constraints inhibit the formation of irregularities in the material that affect its future mechanical properties. Therefore, it is important to understand how external loading affects the defects and the material in general. In this project we study the metallic materials, from the atomic scale where the defect is located to the macroscale where the mechanical properties can be observed, it aims to obtain a proper quantification. Over a long period of use, the material will be degraded by these defects and will eventually fail. It is therefore important to understand the influence of these defects in order to prevent their formation or reduce their detrimental effects and consequently the lifetime of the material. The aim of this project is to combine several methods, such as experimental and computational, to provide sufficient information for the construction of an appropriate physical model for the energy of defects. This model can then be used for further application in the development of computational tools for a complete overview of the material properties and behavior under external constraints, allowing its lifetime prediction or its degradation to be prevented. It will contribute to the development of a material genome for a faster, cheaper and more environmentallyfriendly development ofnewmaterials. The novelty of this project is that it aims to model the energy of these defects in different families of metallic materials using the combination of different methodologies and potentially find common feature within the different alloy class.