Instantaneous normal modes analysis of amorphous and supercooled silica

被引:25
|
作者
Bembenek, SD
Laird, BB [1 ]
机构
[1] Univ Kansas, Dept Chem, Lawrence, KS 66045 USA
[2] Colorado State Univ, Dept Chem, Ft Collins, CO 80523 USA
来源
JOURNAL OF CHEMICAL PHYSICS | 2001年 / 114卷 / 05期
关键词
D O I
10.1063/1.1337040
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
The dynamics of a model for amorphous and supercooled silica (SiO2), a strong glass former, is studied using instantaneous normal mode (INM) analysis. The INM spectra at a variety of temperatures are calculated via molecular dynamics simulation. At temperatures below the glass transition temperature, the dominant contribution to the soft highly anharmonic modes comprising the imaginary frequency region of the INM spectrum are found to correspond to coupled rotations of SiO4 tetrahedral units, consistent with interpretations of neutron scattering experiments [B. B. Buchenau, H. M. Zhou, and N. Nucker, Phys. Rev. Lett. 60, 1318 (1988)] and with previous normal mode analysis of simulation results at T=0 K [S. N. Taraskin and S. R. Elliot, Phys. Rev. B 56, 8623 (1997)]. (C) 2001 American Institute of Physics.
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页码:2340 / 2344
页数:5
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