期刊
INTERNATIONAL JOURNAL OF MATERIALS RESEARCH
卷 100, 期 3, 页码 301-307出版社
CARL HANSER VERLAG
DOI: 10.3139/146.110030
关键词
Continuous displacement cluster variation method; Lattice relaxation; Thermal expansion; Two-dimensional square lattice
By employing the continuous displacement cluster variation method, order-disorder transition behavior of a two-dimensional square lattice is investigated. It is demonstrated that the distribution of displaced atoms around a Bravais lattice point continuously changes with temperature. The additional freedom of atomic displacement contributes to the entropy and thermal lattice expansion is confirmed. Finally, it is shown that the order-disorder transition temperature decreases as compared with the one by the conventional cluster variation method in which no local atomic displacements are allowed.
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