Temperature Dependent Effective Embedded Atom Method Potential for Steady State High Temperature Applications

Abstract

Temperature-dependent effective Embedded Atom Method (EAM) potential has been developed to model steady state high temperature applications in metals. The Morse potential has been enhanced to include temperature effects using the Engineering Molecular Mechanics (EMM) methodology. The validity and effectiveness of the temperature dependent potentials are illustrated by applying them to simulate high temperature steady state properties in bulk copper and thin film nickel.

Thermo-coupled Surface Cauchy–Born theory: An engineering finite element approach to modeling of nanowire thermomechanical response

“…The temperaturedependence in interatomic potentials is included in the finite element calculations. For metals with non-linear embedded functions such as gold (Foiles et al, 1986), temperature-dependent embedded atom method (EAM) can be used instead (Subramaniyan and Sun, 2010). The proposed method is applicable for defect-free single crystals.…”