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Draining of a metal-filled open tube





3D-lattice kinetic Monte Carlo simulation

conserved-order-parameter Ising model with nearest neighbor (NN) interaction J_NN

f.c.c. lattice (12 NNs; J_NN / kT_crit. = 0.40837)

here: J_NN / kT = 1.5 without interaction to the tube wall

color key: coordination number from red (monomers) to purple (12 NNs)

time is measured in Monte Carlo steps (MCS)

number of atoms = 28'847

inner tube diameter = 20 a

f.c.c. metals: Cu (a = 0.1801 nm), Au (a = 0.2039 nm), Ag (a = 0.2043 nm)

further information on the draining of metal-filled CNTs

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Copyright: Dr. Lars Röntzsch, Dresden, GERMANY.