2D Monte-Carlo-Simulation of Cu atoms

44 randomly distributed Cu atoms (hard spheres) in two dimensions (2D) are relaxed unsing attractive potentials and a Monte-Carlo-Method. The steps of the atoms represent the brownian motion. In each Monte-Carlo step one atom performs a random step in the plane. If the energy of the new configuration is lower than before, it is retained with a certein probability. One can observe a self-ordering of clusters with a closest-packed hexagonal (hcp) symmetry and short-range order.

Category:

Science & Technology

Tags:

• Monte-Carlo
• simulation
• method
• Methode
• random
• zufällig
• Zufall
• Theorie
• theory
• ordering
• order
• disorder
• Ordnung
• Unordnung
• cool
• attractive
• interaction
• attraktive
• Wechselwirkung
• self-organisation
• self-assembly
• Selbstorganisation
• Cu
• copper
• Kupfer
• atome
• Atoms
• dichteste
• Packung
• self-ordering
• cluster
• clusters
• hcp
• hexagonal
• closest
• packing
• hard
• spheres
• sphere
• model
• Modell
• Kristallisation
• crystallization
• crystallisation
• Cu-cluster
• 2D
• 2-dimensional
• potential
• algorithm
• Algorithmus
• brownian
• motion
• Brownsche

[Blakut]

What potentials do you use? Are they simmetric?

[chemiker1981]

@Blakut the potentials look like Lennard-Jones potentials. they are not symmetric

[TheReasonWhyGuy]

So wait, I'm confused... are copper atoms attracted to each other?

They don't form bonds do they?

Sorry for the noobish question, but I'm not exactly a master of chemistry.

[renemarkovic]

Did you use periodic boundary conditions?

[TheReasonWhyGuy]

Very interesting simulation... though I likely won't appreciate it's full complexity, since I don't actually know what values and forces are involved.