The boson peak in amorphous silica: Results from molecular dynamics computer simulations

被引：6
|
作者：
Horbach, J [1 ]
Kob, W [1 ]
Binder, K [1 ]
机构：
[1] Univ Mainz, Inst Phys, D-55099 Mainz, Germany
来源：
NEUTRONS AND NUMERICAL METHODS-N(2)M | 1999年 / 479卷
关键词：
D O I：
10.1063/1.59458
中图分类号：
O64 [物理化学（理论化学）、化学物理学];
学科分类号：
070304 ; 081704 ;
摘要：
We investigate a prominent vibrational feature in amorphous silica, the so-called boson peak, by means of molecular dynamics computer simulations. The dynamic 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 show that the excitations giving rise to the boson peak are due to the coupling to transverse acoustic modes.
引用
收藏
页码：136 / 141
页数：6
相关论文
共 50 条
  • [1] Molecular dynamics simulations of fracture in amorphous silica
    Wang, JH
    Omeltchenko, A
    Kalia, RK
    Vashishta, P
    STRUCTURE AND DYNAMICS OF GLASSES AND GLASS FORMERS, 1997, 455 : 267 - 272
  • [2] Molecular dynamics computer simulations of silica aerogels
    J Non Cryst Solids, (349):
  • [3] Classical molecular dynamics simulations of amorphous silica surfaces
    Rarivomanantsoa, M
    Jund, P
    Jullien, R
    JOURNAL OF PHYSICS-CONDENSED MATTER, 2001, 13 (31) : 6707 - 6718
  • [4] Molecular Dynamics Simulations for a Pentacene Monolayer on Amorphous Silica
    Della Valle, Raffaele Guido
    Venuti, Elisabetta
    Brillante, Aldo
    Girlando, Alberto
    CHEMPHYSCHEM, 2009, 10 (11) : 1783 - 1788
  • [5] High frequency sound and the boson peak in amorphous silica
    Horbach, J
    Kob, W
    Binder, K
    EUROPEAN PHYSICAL JOURNAL B, 2001, 19 (04): : 531 - 543
  • [6] Boson peak and high frequency modes in amorphous silica
    Guillot, B
    Guissani, Y
    PHYSICAL REVIEW LETTERS, 1997, 78 (12) : 2401 - 2404
  • [7] High frequency sound and the boson peak in amorphous silica
    J. Horbach
    W. Kob
    K. Binder
    The European Physical Journal B - Condensed Matter and Complex Systems, 2001, 19 : 531 - 543
  • [8] Size effects on the fracture behavior of amorphous silica from molecular dynamics simulations
    Barciela, Raul
    Mahadevan, Thiruvilla S.
    Quintero, Felix
    Pou, Juan
    Du, Jincheng
    JOURNAL OF NON-CRYSTALLINE SOLIDS, 2024, 631
  • [9] The dynamics of non-crystalline silica: Insight from molecular dynamics computer simulations
    Kob, W
    Horbach, J
    Binder, K
    SLOW DYNAMICS IN COMPLEX SYSTEMS, 1999, 469 : 441 - 451
  • [10] Densification effects on the Boson peak in vitreous silica: A molecular-dynamics study
    Jund, P
    Jullien, R
    JOURNAL OF CHEMICAL PHYSICS, 2000, 113 (07): : 2768 - 2771
12345