MedeA Deposition - Atomistic-Scale Simulations of Deposition, Growth, Oxidation, and Etching at your Fingertips

At-a-Glance

Interactions between particles and surfaces control many important processes including deposition, including Micro-cold spray, or oxidation, growth, surface modification, bombardment, sputtering, and etching. The MedeA Deposition module facilitates the simulations of automated, continuous impact of pre-defined particles on to a surface and enables you to examine the dynamical processes and mechanisms that govern particle-surface reactions and interactions.

Key Benefits

  • Deposition of any amount of various particle types such as atoms, cluster, and molecules

  • Impact the surface with user-defined particle velocities or energies, angles, and frequencies

  • Study the effects of deposition parameters on surface morphology and atomic distribution

  • Automated analysis of results such as particle distribution plots

Computational Characteristics

  • Users define impact region, impact velocity/energy, impact angle, impact frequency, and total number of deposits per deposition particle type

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  • MedeA Deposition uses the LAMMPS classical molecular dynamics engine for efficient performance on computers from scalar workstations to massively parallel supercomputers

  • Temperature control of the substrate with the Langevin thermostat

  • Creates distribution plots automatically per deposition particle type for analyses of penetration depth, reaction range, growth thickness, etc.

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  • Works with reactive forcefields such as MLP, ReaxFF, COMB3, Tersoff, and EAM, as well as non-reactive valence forcefields such as PCFF+

Required Modules

  • MedeA Environment

  • MedeA Deposition

Find Out More

Contact Materials Design to see how MedeA Deposition can be employed in the following tutorials:

  • Deposition of O2 on Si Surface with reactive forcefields

download:

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