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Aging to Equilibrium Dynamics of SiO2 | K. Vollmayr-Lee
; J. A. Roman
; J. Horbach
; | Date: |
5 Jan 2010 | Abstract: | Molecular dynamics computer simulations are used to study the aging dynamics
of SiO2 (modeled by the BKS model). Starting from fully equilibrated
configurations at high temperatures T_i =5000K/3760K the system is quenched to
lower temperatures T_f=2500K, 2750K, 3000K, 3250K and observed after a waiting
time t_w. Since the simulation runs are long enough to reach equilibrium at
T_f, we are able to study the transition from out-of-equilibrium to equilibrium
dynamics. We present results for the partial structure factors, for the
generalized incoherent intermediate scattering function C_q(t_w, t_w+t), and
for the mean square displacement msd(t_w,t_w+t). We conclude that there are
three different t_w regions: (I) At very short waiting times, C_q(t_w, t_w+t)
decays very fast without forming a plateau. Similarly msd(t_w,t_w+t) increases
without forming a plateau. (II) With increasing t_w a plateau develops in
C_q(t_w, t_w+t) and msd(t_w,t_w+t). For intermediate waiting times the plateau
height is independent of t_w and T_i. Time superposition applies, i.e.
C_q=C_q(t/t_r) where t_r=t_r(t_w) is a waiting time dependent decay time.
Furthermore C_q=C(q,t_w,t_w+t) scales as C_q=C(q,z(t_w,t) where z is a function
of t_w and t only, i.e. independent of q. (III) At large t_w the system reaches
equilibrium, i.e. C_q(t_w,t_w+t) and msd(t_w,t_w+t) are independent of t_w and
T_i. For C_q(t_w,t_w+t) we find that the time superposition of intermediate
waiting times (II) includes the equilibrium curve (III). | Source: | arXiv, 1001.0715 | Services: | Forum | Review | PDF | Favorites |
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