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What is EAM Potentials in Metal Simulation about?

This document provides an introduction to simulating metals using the embedded atom method (EAM) potential in LAMMPS. It discusses the history and key aspects of the EAM theory. It describes how EAM potentials are represented in LAMMPS and provides examples of single point energy calculations, optimizing lattice parameters, and performing molecular dynamics simulations using an EAM potential for bcc iron. It also briefly reviews elastic constants and how they can be calculated from simulations.

Author

Shreshta Jain

Language

EN