It was decided RMC (ReverseMonteCarlo) making use of

摘要

PROBLEM TO BE SOLVED: To provide a method for evaluating crystal structure of a material, particularly, rust, and to provide a steel excellent in weatherability on the basis of the same.;SOLUTION: The method for evaluating arrangement of atoms in the material evaluates the arrangement of the atoms by using a function A (r, θ) expressing a probability of finding atoms i, j, k and l at positions where a vector V_ij and a vector V_kl satisfy a relation with an angle θ and a distance (r) between the vectors; the vector V_ij is a vector connecting two adjacent atoms i and j in an arbitrary crystal unit X, and the vector V_kl is a vector connecting other two adjacent atoms k and l in another arbitrary crystal unit Y.;COPYRIGHT: (C)2004,JPO