Molecular Dynamics Simulation of Superalloys: A Review

Abstract

The main features of superalloys are included good stability and strength at high temperatures (excellent mechanical strength), creep resistance at high temperatures, resistance to corrosion and oxidation at high operating temperatures, and resistance to thermal deformation at high operating temperatures. Superalloys have different properties, meaning that each alloy has its unique chemical and mechanical properties, so it is necessary to find the physical, mechanical, and chemical properties of superalloys. There are several ways to do this: The experimental method, computational and analytical method, and molecular dynamics simulation method. In this research, Mechanical properties of superalloys have been studied using molecular dynamics simulation. Tensile-pressure behavior of the superalloys, dislocations, hardness behavior, elastic-plastic behavior, crack growth, fatigue properties, and creep behavior have been considered. Eventually, some challenges and future work will be discussed. © The Author(s) under exclusive licence to International Center for Numerical Methods in Engineering (CIMNE) 2023.