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- W1679982811 abstract "The surface phonon dispersion curves have been calculated for fcc (100), (110), and (111) surfaces using molecular dynamics (MD) simulations and Lennard-Jones pair potentials. In the low-temperature limit these MD simulations have been compared to the results from slab-technique lattice dynamics calculations of the type pioneered by Allen, Alldredge and de Wette. We compare the dispersion results between these two methods as a prelude to MD studies of the dispersion curves at elevated temperatures. At temperatures where the dynamical behavior is well described within the harmonic approximation, the two techniques should provide equal descriptions of surface phonon spectral densities and phonon frequencies. In this paper we demonstrate this agreement." @default.
- W1679982811 created "2016-06-24" @default.
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- W1679982811 date "1992-01-01" @default.
- W1679982811 modified "2023-09-28" @default.
- W1679982811 title "Phonons on fcc (100), (110), and (111) surfaces using Lennard-Jones potentials" @default.
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- W1679982811 doi "https://doi.org/10.1016/0039-6028(92)90980-k" @default.
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