TY - JOUR
T1 - Thermal expansion calculated by Continuous Displacement Cluster Variation Method
AU - Mohri, Tetsuo
PY - 2008/11
Y1 - 2008/11
N2 - Thermal expansion of a single component system in a two dimensional square lattice is calculated by employing Continuous Displacement Cluster Variation Method. It is demonstrated that the entropy effect arising from the freedom of local atomic displacements drives the thermal expansion. The coefficient of thermal expansion curve is compared with the one calculated based on Debye-Griineisen model within the quasi-harmonic approximation. The two curves demonstrate opposite behavior.
AB - Thermal expansion of a single component system in a two dimensional square lattice is calculated by employing Continuous Displacement Cluster Variation Method. It is demonstrated that the entropy effect arising from the freedom of local atomic displacements drives the thermal expansion. The coefficient of thermal expansion curve is compared with the one calculated based on Debye-Griineisen model within the quasi-harmonic approximation. The two curves demonstrate opposite behavior.
KW - Cluster variation method
KW - Continuous displacement cluster variation method
KW - Thermal expansion, square lattice
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U2 - 10.2320/matertrans.MB200802
DO - 10.2320/matertrans.MB200802
M3 - Article
AN - SCOPUS:58149247998
SN - 1345-9678
VL - 49
SP - 2515
EP - 2520
JO - Materials Transactions
JF - Materials Transactions
IS - 11
ER -