84 research outputs found
Simple Fluids with Complex Phase Behavior
We find that a system of particles interacting through a simple isotropic
potential with a softened core is able to exhibit a rich phase behavior
including: a liquid-liquid phase transition in the supercooled phase, as has
been suggested for water; a gas-liquid-liquid triple point; a freezing line
with anomalous reentrant behavior. The essential ingredient leading to these
features resides in that the potential investigated gives origin to two
effective core radii.Comment: 7 pages including 3 eps figures + 1 jpeg figur
Water-like anomalies for core-softened models of fluids: One dimension
We use a one-dimensional (1d) core-softened potential to develop a physical
picture for some of the anomalies present in liquid water. The core-softened
potential mimics the effect of hydrogen bonding. The interest in the 1d system
stems from the facts that closed-form results are possible and that the
qualitative behavior in 1d is reproduced in the liquid phase for higher
dimensions. We discuss the relation between the shape of the potential and the
density anomaly, and we study the entropy anomaly resulting from the density
anomaly. We find that certain forms of the two-step square well potential lead
to the existence at T=0 of a low-density phase favored at low pressures and of
a high-density phase favored at high pressures, and to the appearance of a
point at a positive pressure, which is the analog of the T=0 ``critical
point'' in the Ising model. The existence of point leads to anomalous
behavior of the isothermal compressibility and the isobaric specific heat
.Comment: 22 pages, 7 figure
Intra-molecular coupling as a mechanism for a liquid-liquid phase transition
We study a model for water with a tunable intra-molecular interaction
, using mean field theory and off-lattice Monte Carlo simulations.
For all , the model displays a temperature of maximum
density.For a finite intra-molecular interaction ,our
calculations support the presence of a liquid-liquid phase transition with a
possible liquid-liquid critical point for water, likely pre-empted by
inevitable freezing. For J=0 the liquid-liquid critical point disappears at
T=0.Comment: 8 pages, 4 figure
A Simple Model of Liquid-liquid Phase Transitions
In recent years, a second fluid-fluid phase transition has been reported in
several materials at pressures far above the usual liquid-gas phase transition.
In this paper, we introduce a new model of this behavior based on the
Lennard-Jones interaction with a modification to mimic the different kinds of
short-range orientational order in complex materials. We have done Monte Carlo
studies of this model that clearly demonstrate the existence of a second
first-order fluid-fluid phase transition between high- and low-density liquid
phases
Interacting Growth Walk - a model for hyperquenched homopolymer glass?
We show that the compact self avoiding walk configurations, kinetically
generated by the recently introduced Interacting Growth Walk (IGW) model, can
be considered as members of a canonical ensemble if they are assigned random
values of energy. Such a mapping is necessary for studying the thermodynamic
behaviour of this system. We have presented the specific heat data for the IGW,
obtained from extensive simulations on a square lattice; we observe a broad
hump in the specific heat above the -point, contrary to expectation.Comment: 4 figures; Submitted to PR
Glassy dynamics near zero temperature
We numerically study finite-dimensional spin glasses at low and zero
temperature, finding evidences for (i) strong time/space heterogeneities, (ii)
spontaneous time scale separation and (iii) power law distributions of flipping
times. Using zero temperature dynamics we study blocking, clustering and
persistence phenomena
Aging dynamics of heterogeneous spin models
We investigate numerically the dynamics of three different spin models in the
aging regime. Each of these models is meant to be representative of a distinct
class of aging behavior: coarsening systems, discontinuous spin glasses, and
continuous spin glasses. In order to study dynamic heterogeneities induced by
quenched disorder, we consider single-spin observables for a given disorder
realization. In some simple cases we are able to provide analytical predictions
for single-spin response and correlation functions.
The results strongly depend upon the model considered. It turns out that, by
comparing the slow evolution of a few different degrees of freedom, one can
distinguish between different dynamic classes. As a conclusion we present the
general properties which can be induced from our results, and discuss their
relation with thermometric arguments.Comment: 39 pages, 36 figure
Spatially heterogeneous ages in glassy dynamics
We construct a framework for the study of fluctuations in the nonequilibrium
relaxation of glassy systems with and without quenched disorder. We study two
types of two-time local correlators with the aim of characterizing the
heterogeneous evolution: in one case we average the local correlators over
histories of the thermal noise, in the other case we simply coarse-grain the
local correlators. We explain why the former describe the fingerprint of
quenched disorder when it exists, while the latter are linked to noise-induced
mesoscopic fluctuations. We predict constraints on the pdfs of the fluctuations
of the coarse-grained quantities. We show that locally defined correlations and
responses are connected by a generalized local out-of-equilibrium
fluctuation-dissipation relation. We argue that large-size heterogeneities in
the age of the system survive in the long-time limit. The invariance of the
theory under reparametrizations of time underlies these results. We relate the
pdfs of local coarse-grained quantities and the theory of dynamic random
manifolds. We define a two-time dependent correlation length from the spatial
decay of the fluctuations in the two-time local functions. We present numerical
tests performed on disordered spin models in finite and infinite dimensions.
Finally, we explain how these ideas can be applied to the analysis of the
dynamics of other glassy systems that can be either spin models without
disorder or atomic and molecular glassy systems.Comment: 47 pages, 60 Fig
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