MedeA EAM - Easy Access to Powerful Simulations of Metallic Systems


Embedded Atom Method (EAM) forcefield based simulations provide computationally efficient descriptions of structural, mechanical, and thermal properties of metallic systems. The MedeA®[1] EAM module provides straightforward access to EAM simulations in the MedeA Environment.

Key Benefits

  • Productivity - Fully utilizes the powerful LAMMPS simulation workflows within the MedeA Environment
  • Coverage - Supports a wide range of properties for meteallic systems:
    • Structures
    • Energetics and structural properties of defects
    • Mechanical properties
    • Dynamical properties, such as melting points
  • Flexibility - Incorporates an extensive set of models:
    • Load models from MedeA InfoMaticA
    • Use the MedeA Amorphous Materials Builder to create models
    • Modify models with the powerful, yet intuitive simulation protocols of MedeA Flowcharts

Perform large scale simulations of metallic systems, spanning significant time scales using MedeA EAM

Key Features

  • Support for Finnis-Sinclair format EAM forcefield files with simple extensions for template type assignment and referencing
  • Support for atom type assignment template rules to facilitate construct-then-type model constructions for LAMMPS simulations
  • Support for the Zhou et al 2004 [2] EAM parameterization supporting mixed alloys of: Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, and Zr

The upper section shows the simulation of the melting point of a metallic system using a two region model, and described by an EAM forcefield with component functions in the inset graphs. The lower section shows screw dislocations and other defects on a metal surface.

Required Modules

  • MedeA Environment
  • MedeA JobServer and TaskServer
  • MedeA Forcefield

Find Out More

Visit the Materials Design Application Notes page to learn more about MedeA EAM from the following Application Note:

  • Embedded Atom Method (EAM) Simulations with MedeA

Watch the Materials Design online tutorial and learn How to Calculate Elastic Constants with LAMMPS

[1]MedeA and Materials Design are registered trademarks of Materials Design, Inc.
[2]X.W.Zhou, R.A. Johnson, H.N.G. Wadley, Phys. Rev. B 69, 144113 (2004)