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- W2021380288 abstract "We report a Brownian isothermal molecular dynamics simulation study of bimetallic clusters. Beginning at their lowest energy structures which were obtained from a recently developed algorithm [P. J. Hsu and S. K. Lai, J. Chem. Phys. 124, 044711 (2006)], we investigate the effect of temperature on the thermal and geometric of ${mathrm{Cu}}_{m}{mathrm{Au}}_{nensuremath{-}m}$ at given nuclearity $n$. We study in particular the change in temperature of the relative root-mean-squared bond length fluctuation $ensuremath{delta}$ so-called Lindemann parameter and exploit the underlying mechanism that leads to its thermal variation. We then discuss the correlation of $ensuremath{delta}$ to the specific heat which is used generally to deduce the bulklike melting of bimetallic clusters. The mismatch quite often seen at the melting temperature between $ensuremath{delta}$ and specific heat can now be understood better." @default.
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- W2021380288 date "2007-04-30" @default.
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- W2021380288 title "Thermal and geometric properties of alloy clusters studied with Brownian-type isothermal molecular dynamics simulations" @default.
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- W2021380288 doi "https://doi.org/10.1103/physrevb.75.165420" @default.
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