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adam1
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I don't know how start with this problem , can someone help me please
Knowing the TST rate constants for the diffusion steps along x and y, it
becomes possible to study the long-time evolution of the atom position on the
surface using Kinetic Monte Carlo . The location of the minima of U defines a periodical lattice over which the atom can move, with the probability per unit time of jumping between neighbour lattice sites being given by the TST rate constants.
a) Write a computer code that simulates the atomic diffusion along x and
y on the lattice, giving as input A, B, T, and the two linear dimension
Lx and Ly. The probability of jumping in the positive x direction is
defined by 1
with equivalent definitions for the probability of jumping in the other
three directions. Randomly choose the direction of displacement
accordingly to this definition of absolute probability.The physical time
elapsed during a KMC step is given by 2
I don't know how start with this problem , can someone help me please
Knowing the TST rate constants for the diffusion steps along x and y, it
becomes possible to study the long-time evolution of the atom position on the
surface using Kinetic Monte Carlo . The location of the minima of U defines a periodical lattice over which the atom can move, with the probability per unit time of jumping between neighbour lattice sites being given by the TST rate constants.
a) Write a computer code that simulates the atomic diffusion along x and
y on the lattice, giving as input A, B, T, and the two linear dimension
Lx and Ly. The probability of jumping in the positive x direction is
defined by 1
with equivalent definitions for the probability of jumping in the other
three directions. Randomly choose the direction of displacement
accordingly to this definition of absolute probability.The physical time
elapsed during a KMC step is given by 2
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