TY - JOUR
T1 - Theoretical investigation of the thermodynamic stability of nanoscale systems-III
T2 - Thin film with an IPB
AU - Kikuchi, Ryoichi
AU - Chen, Long Qing
PY - 1995/1/1
Y1 - 1995/1/1
N2 - Thermodynamic stability of nanoscale thin films is analyzed theoretically using equilibrium statistical mechanics. A model binary system with a miscibility gap is treated in fcc using the pair approximation of the Cluster Variation Method. Each film has equal total numbers of A and B atoms, and has an interphase boundary (IPB) around the center of a film at low temperatures. The composition profile across the film is calculated for different temperatures and thicknesses. The result reveals that the composition inside a film is practically the same as that of the corresponding bulk fcc system, and the surface composition is close to that of the two-dimensional surface lattice. For a fixed temperature, the mutual solubility of two components increase as the film thickness decreases, and becomes totally miscible for very thin films. For a given thickness, the miscibility increases with the temperature, and the critical temperature Tc of phase separation is determined as a function of film thickness.
AB - Thermodynamic stability of nanoscale thin films is analyzed theoretically using equilibrium statistical mechanics. A model binary system with a miscibility gap is treated in fcc using the pair approximation of the Cluster Variation Method. Each film has equal total numbers of A and B atoms, and has an interphase boundary (IPB) around the center of a film at low temperatures. The composition profile across the film is calculated for different temperatures and thicknesses. The result reveals that the composition inside a film is practically the same as that of the corresponding bulk fcc system, and the surface composition is close to that of the two-dimensional surface lattice. For a fixed temperature, the mutual solubility of two components increase as the film thickness decreases, and becomes totally miscible for very thin films. For a given thickness, the miscibility increases with the temperature, and the critical temperature Tc of phase separation is determined as a function of film thickness.
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U2 - 10.1016/0965-9773(95)00291-L
DO - 10.1016/0965-9773(95)00291-L
M3 - Article
AN - SCOPUS:0029371224
SN - 0965-9773
VL - 5
SP - 745
EP - 754
JO - Nanostructured Materials
JF - Nanostructured Materials
IS - 7-8
ER -