EAM Inter-Atomic Potential—Its Implication on Nickel, Copper, and Aluminum (and Their Alloys)

Abstract

In recent years, our atomic structure knowledge of solids has advanced. There are many problems, which are related to material properties on which Embedded Atom Model (EAM) can be used. Knowledge of structure, phase transitions, and diffusion is required for the EAM calculations. Dynamics, vibrations, and segregation are other topics whose information is required for EAM. Four different types of calculations are used to implement embedded atom model. Basic properties of point defects can be computed with the help of EAM. These were calculated for FCC metals like Cu and Ni that will be discussed in this chapter. Migration energy, formation energy, self-interstitial geometry, and divacancy binding energy are the properties that are computed. Other properties were migration energy and vacancy formation which has been calculated through EAM very efficiently. One of the advantages of EAM is its capacity to replicate energy of vacancy formation. Studies were conducted to study the structure and elastic behavior of grain boundaries. These studies included the computation of shear modulus, which acted in the planes of the boundary and Young’s modulus for both the axis. For certain fundamental properties, correct and reliable measurements are present which are close to that obtained from experimental methods. Apart from this, certain phenomena also exist in EAM which include phase transition and reconstructions. Thus, embedded atom model has provided a great method for observing materials’ physics. In alloys, variations in composition take place near defects, which has been successfully studied by the EAM. EAM calculations were extensively done to study the mechanical properties of metals.