Description: Order-disorder transition of computer simulation- MC algorithm a sample experiment, from the low-temperature ordered phase, gradually warming up to a high temperature disordered phase. Model assumes that: 1 of three-dimensional rhombic, AB-type alloy, a total of M* N* L atoms 2 nearest the assumption that only consider the interaction between the neighboring atoms, and further sub-adjacent atoms ignore the interaction between the (larger error), , in the simple oblique Fang, nearest neighbor atoms, z = 6 3 only consider the potential role, AA, BB, AB interatomic with Eaa, Ebb, Eab = Eba representation and ignore the vibration energy (principle, the temperature is high, it can not be ignored), etc. 4 each atom interactions between independent, which means that each bond independently 5 boundary periodic arrangement of atoms in any course, but , adjacent atoms decreases, the higher energy boundary atomic plane z = 5 atoms on line z = 4, the vertex atoms z = 3 only four
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Order-disorder.m
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