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MedeA® LAMMPS-EAM

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

MedeA LAMMPS-EAM

Key Features of MedeA® LAMMPS-EAM

  • 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 construction for LAMMPS simulations
  • Support for the Zhou et al 2004 1 EAM parameterization supporting mixed alloys of: Cu, Ag, Au, Ni, Pd, Pt, Al, Pb, Fe, Mo, Ta, W, Mg, Co, Ti, and Zr

Key Benefits of MedeA® LAMMPS-EAM

  • Fully utilizes the powerful LAMMPS simulation workflows within the MedeA® environment
  • Supports a wide range of properties for metallic systems:
    • Structures
    • Energetics and structural properties of defects
    • Mechanical properties
    • Dynamical properties such as melting points
  • Incorporates a wide range of models:
    • Load models from MedeA® InformaticA
    • Use the MedeA® Amorphous Materials Builder to create models
    • Modify models with the powerful, yet intuitive, simulation protocols of MedeA® Flowcharts

Required MedeA® modules:

Supported MedeA® modules:

  1. X. W. Zhou, R. A. Johnson, H.N.G. Wadley, Phys. Rev. B. 69, 144113 (2004) ↩
Datasheet: 
application/pdf iconMedeA_LAMMPS-EAM_Datasheet.pdf