INQUISUR   21779
INSTITUTO DE QUIMICA DEL SUR
Unidad Ejecutora - UE
artículos
Título:
Time evolution of dynamic propensity in a model glass former. The interplay between structure and dynamics
Autor/es:
RODRIGUEZ FRIS, JORGE ARIEL; ALARCÓN, LAUREANO MARTÍN; APPIGNANESI, GUSTAVO ADRIÁN
Revista:
JOURNAL OF CHEMICAL PHYSICS
Referencias:
Año: 2009 vol. 130 p. 1 - 7
ISSN:
0021-9606
Resumen:
By means of the isoconfigurational method, we calculate the change in the propensity for motion
that the structure of a glass-forming system experiences during its relaxation dynamics. The
relaxation of such a system has been demonstrated to evolve by means of rapid crossings between
metabasins of its potential energy surface a metabasin being a group of mutually similar, closely
related structures which differ markedly from other metabasins, as collectively relaxing units
related structures which differ markedly from other metabasins, as collectively relaxing units
a metabasin being a group of mutually similar, closely
related structures which differ markedly from other metabasins, as collectively relaxing units
d-clusters take place. We now show that the spatial distribution of propensity in the system does
not change significantly until one of these d-clusters takes place. However, the occurrence of a
not change significantly until one of these d-clusters takes place. However, the occurrence of a
d-clusters take place. We now show that the spatial distribution of propensity in the system does
not change significantly until one of these d-clusters takes place. However, the occurrence of ad-clusters takes place. However, the occurrence of a
d-cluster clearly decorrelates the propensity of the particles, thus ending up with the dynamical
influence of the structural features proper of the local metabasin. We also show an important match
between particles that participate in d-clusters and that which show high changes in their
propensity.
propensity.
influence of the structural features proper of the local metabasin. We also show an important match
between particles that participate in d-clusters and that which show high changes in their
propensity.
propensity.
-cluster clearly decorrelates the propensity of the particles, thus ending up with the dynamical
influence of the structural features proper of the local metabasin. We also show an important match
between particles that participate in d-clusters and that which show high changes in their
propensity.
propensity.
d-clusters and that which show high changes in their
propensity.