Heterogeneities in supercooled liquids: a density-functional study.
نویسندگان
چکیده
A metastable state, characterized by a low degree of mass localization, is identified using density-functional theory (DFT). This free energy minimum, located through the proper evaluation of competing terms in the free energy functional, is independent of the specific form of the DFT used. Computer simulation results on particle motion indicate that this heterogeneous state corresponds to the deeply supercooled state.
منابع مشابه
From particles to spins: Eulerian formulation of supercooled liquids and glasses.
The dynamics of supercooled liquid and glassy systems are usually studied within the Lagrangian representation, in which the positions and velocities of distinguishable interacting particles are followed. Within this representation, however, it is difficult to define measures of spatial heterogeneities in the dynamics, as particles move in and out of any one given region within long enough time...
متن کاملSlow dynamics, dynamic heterogeneities, and fragility of supercooled liquids confined in random media.
Using molecular dynamics simulations, we study the slow dynamics of supercooled liquids confined in a random matrix of immobile obstacles. We study the dynamical crossover from glass-like to Lorentz-gas-like behavior in terms of the density correlation function, the mean square displacement, the nonlinear dynamic susceptibility, the non-gaussian parameter, and the fragility. We find the coopera...
متن کاملSpatially heterogeneous dynamics in supercooled liquids.
Although it has long been recognized that dynamics in supercooled liquids might be spatially heterogeneous, only in the past few years has clear evidence emerged to support this view. As a liquid is cooled far below its melting point, dynamics in some regions of the sample can be orders of magnitude faster than dynamics in other regions only a few nanometers away. In this review, the experiment...
متن کاملBreakdown of the Stokes-Einstein relation in supercooled water.
A lmost everyone would agree that water is probably the most important liquid for life, but few fully appreciate that water is also the most puzzling among the liquids. Water is anomalous in many ways compared with simple liquids. One of the most well known anomalies is the decrease of density of water upon cooling below 4°C. Other anomalies of water include the increase of specific heat and co...
متن کاملMetastable states as a key to the dynamics of supercooled liquids
Computer simulations of a model glass-forming system are presented, which study the correlation between the dynamics in real space and the topography of the potential energy landscape. This analysis clearly reveals that in the supercooled regime the dynamics is strongly influenced by the presence of deep valleys in the energy landscape, corresponding to long-lived metastable amorphous states. W...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
عنوان ژورنال:
- Physical review letters
دوره 86 10 شماره
صفحات -
تاریخ انتشار 2001