Inherent Structure Entropy of Supercooled Liquids
نویسندگان
چکیده
منابع مشابه
6 J un 1 99 9 Inherent Structure Entropy of Supercooled Liquids
We present a quantitative description of the thermodynamics in a supercooled binary Lennard Jones liquid via the evaluation of the degeneracy of the inherent structures, i.e. of the number of potential energy basins in configuration space. We find that for supercooled states, the contribution of the inherent structures to the free energy of the liquid almost completely decouples from the vibrat...
متن کاملInfluence of inherent structure shear stress of supercooled liquids on their shear moduli.
Configurations of supercooled liquids residing in their local potential minimum (i.e., in their inherent structure, IS) were found to support a non-zero shear stress. This IS stress was attributed to the constraint to the energy minimization imposed by boundary conditions, which keep size and shape of the simulation cell fixed. In this paper, we further investigate the influence of these bounda...
متن کاملThermodynamics of supercooled liquids in the inherent structure formalism: a case study
In this article we review the thermodynamics of liquids in the framework of the inherent structure formalism. We then present calculations of the distribution of the basins in the potential energy of a binary Lennard-Jones mixture as a function of temperature. The comparison between the numerical data and the theoretical formalism allows us to evaluate the degeneracy of the inherent structures ...
متن کاملConfigurational entropy and collective modes in normal and supercooled liquids.
Soft vibrational modes have been used to explain anomalous thermal properties of glasses above 1 K. The soft-potential model consists of a collection of double-well potentials that are distorted by a linear term representing local stress in the liquid. Double-well modes contribute to the configurational entropy of the system. Based on the Adam-Gibbs theory of entropically driven relaxation in l...
متن کاملDynamically correlated regions and configurational entropy in supercooled liquids.
When a liquid is cooled below its melting temperature, if crystallization is avoided, it forms a glass. This phenomenon, called glass transition, is characterized by a marked increase of viscosity, about 14 orders of magnitude, in a narrow temperature interval. The microscopic mechanism behind the glass transition is still poorly understood. However, recently, great advances have been made in t...
متن کاملذخیره در منابع من
با ذخیره ی این منبع در منابع من، دسترسی به آن را برای استفاده های بعدی آسان تر کنید
ژورنال
عنوان ژورنال: Physical Review Letters
سال: 1999
ISSN: 0031-9007,1079-7114
DOI: 10.1103/physrevlett.83.3214