INVESTIGADORES
APPIGNANESI Gustavo Adrian
artículos
Título:
Metabasin dynamics and local structure in supercooled water
Autor/es:
JORGE ARIEL RODRÍGUEZ FRIS, GUSTAVO A. APPIGNANESI, EMILIA LA NAVE AND FRANCESCO SCIORTINO
Revista:
PHYSICAL REVIEW E - STATISTICAL PHYSICS, PLASMAS, FLUIDS AND RELATED INTERDISCIPLINARY TOPICS
Editorial:
American Physical Society
Referencias:
Lugar: New York; Año: 2007 vol. 75 p. 41501 - 41506
ISSN:
1063-651X
Resumen:
We employ the distance matrix method to investigate metabasin dynamics in supercooled water. We find that
the motion of the system consists in the exploration of a finite region of configuration space enclosing several
distinct local minima, named metabasin, followed by a sharp crossing to a different metabasin. The characteristic
time between metabasin transitions is comparable to the structural relaxation time, suggesting that these
transitions are relevant for the long-time dynamics. The crossing between metabasins is accompanied by very
rapid diffusional jumps of several groups of dynamically correlated particles. These particles form relatively
compact clusters and act as cooperative relaxing units responsible for the density relaxation. We find that these
mobile particles are often characterized by an average coordination larger than four, i.e., they are located in
regions where the tetrahedral hydrogen bond network is distorted.
distinct local minima, named metabasin, followed by a sharp crossing to a different metabasin. The characteristic
time between metabasin transitions is comparable to the structural relaxation time, suggesting that these
transitions are relevant for the long-time dynamics. The crossing between metabasins is accompanied by very
rapid diffusional jumps of several groups of dynamically correlated particles. These particles form relatively
compact clusters and act as cooperative relaxing units responsible for the density relaxation. We find that these
mobile particles are often characterized by an average coordination larger than four, i.e., they are located in
regions where the tetrahedral hydrogen bond network is distorted.
enclosing several
distinct local minima, named metabasin, followed by a sharp crossing to a different metabasin. The characteristic
time between metabasin transitions is comparable to the structural relaxation time, suggesting that these
transitions are relevant for the long-time dynamics. The crossing between metabasins is accompanied by very
rapid diffusional jumps of several groups of dynamically correlated particles. These particles form relatively
compact clusters and act as cooperative relaxing units responsible for the density relaxation. We find that these
mobile particles are often characterized by an average coordination larger than four, i.e., they are located in
regions where the tetrahedral hydrogen bond network is distorted.