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
- 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.
- 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
Recommended Modules
- MedeA MLP, MedeA ReaxFF, MedeA COMB3, and MedeA EAM
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
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