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The boson peak in amorphous silica: Results from molecular dynamics computer simulations
Author(s) -
Jürgen Horbach,
Walter Kob,
Kurt Binder
Publication year - 1999
Publication title -
aip conference proceedings
Language(s) - English
Resource type - Conference proceedings
eISSN - 1551-7616
pISSN - 0094-243X
DOI - 10.1063/1.59458
Subject(s) - amorphous solid , molecular dynamics , boson , coupling (piping) , harmonic , silicon , molecular vibration , amorphous silica , dynamics (music) , feature (linguistics) , harmonic oscillator , phonon , physics , materials science , molecular physics , molecule , condensed matter physics , chemistry , crystallography , optoelectronics , quantum mechanics , composite material , engineering , chemical engineering , acoustics , linguistics , philosophy
We investigate a prominent vibrational feature in amorphous silica, theso-called boson peak, by means of molecular dynamics computer simulations. Thedynamic structure factor S(q,nu) in the liquid, as well as in the glass state,scales roughly with temperature, in agreement with the harmonic approximation.By varying the size of the system and the masses of silicon and oxygen we showthat the excitations giving rise to the boson peak are due to the coupling totransverse acoustic modes.Comment: 6 pages of Latex, 3 figures, uses aipproc.sty; to appear in proceedings of "Neutrons and Numerical Methods" Grenoble, Dec. 1998, Ed. H.G. Buttner et a

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