19,873 research outputs found
Hydrophobic interactions with coarse-grained model for water
Integral equation theory is applied to a coarse-grained model of water to
study potential of mean force between hydrophobic solutes. Theory is shown to
be in good agreement with the available simulation data for methane-methane and
fullerene-fullerene potential of mean force in water; the potential of mean
force is also decomposed into its entropic and enthalpic contributions. Mode
coupling theory is employed to compute self-diffusion coefficient of water, as
well as diffusion coefficient of a dilute hydrophobic solute; good agreement
with molecular dynamics simulation results is found
Structural and Dynamical Anomalies of a Gaussian Core Fluid: a Mode Coupling Theory Study
We present a theoretical study of transport properties of a liquid comprised
of particles uist1:/home/sokrates/egorov/oldhome/Pap41/Submit > m abs.tex We
present a theoretical study of transport properties of a liquid comprised of
particles interacting via Gaussian Core pair potential. Shear viscosity and
self-diffusion coefficient are computed on the basis of the mode-coupling
theory, with required structural input obtained from integral equation theory.
Both self-diffusion coefficient and viscosity display anomalous density
dependence, with diffusivity increasing and viscosity decreasing with density
within a particular density range along several isotherms below a certain
temperature. Our theoretical results for both transport coefficients are in
good agreement with the simulation data
Dynamic glass transition: bridging the gap between mode-coupling theory and the replica approach
We clarify the relation between the ergodicity breaking transition predicted
by mode-coupling theory and the so-called dynamic transition predicted by the
static replica approach. Following Franz and Parisi [Phys. Rev. Lett. 79, 2486
(1997)], we consider a system of particles in a metastable state characterized
by non-trivial correlations with a quenched configuration. We show that the
assumption that in a metastable state particle currents vanish leads to an
expression for the replica off-diagonal direct correlation function in terms of
a replica off-diagonal static four-point correlation function. A factorization
approximation for this function results in an approximate closure for the
replica off-diagonal direct correlation function. The replica off-diagonal
Ornstein-Zernicke equation combined with this closure coincides with the
equation for the non-ergodicity parameter derived using the mode-coupling
theory.Comment: revised version; to be published in EP
Role of structural relaxations and vibrational excitations in the high-frequency dynamics of liquids and glasses
We present theoretical investigation on the high-frequency collective
dynamics in liquids and glasses at microscopic length scales and terahertz
frequency region based on the mode-coupling theory for ideal liquid-glass
transition. We focus on recently investigated issues from
inelastic-X-ray-scattering and computer-simulation studies for dynamic
structure factors and longitudinal and transversal current spectra: the
anomalous dispersion of the high-frequency sound velocity and the nature of the
low-frequency excitation called the boson peak. It will be discussed how the
sound mode interferes with other low-lying modes present in the system.
Thereby, we provide a systematic explanation of the anomalous sound-velocity
dispersion in systems -- ranging from high temperature liquid down to deep
inside the glass state -- in terms of the contributions from the
structural-relaxation processes and from vibrational excitations called the
anomalous-oscillation peak (AOP). A possibility of observing negative
dispersion -- the {\em decrease} of the sound velocity upon increase of the
wave number -- is argued when the sound-velocity dispersion is dominated by the
contribution from the vibrational dynamics. We also show that the low-frequency
excitation, observable in both of the glass-state longitudinal and transversal
current spectra at the same resonance frequency, is the manifestation of the
AOP. As a consequence of the presence of the AOP in the transversal current
spectra, it is predicted that the transversal sound velocity also exhibits the
anomalous dispersion. These results of the theory are demonstrated for a model
of the Lennard-Jones system.Comment: 25 pages, 22 figure
Spatial correlations in sheared isothermal liquids : From elastic particles to granular particles
Spatial correlations for sheared isothermal elastic liquids and granular
liquids are theoretically investigated. Using the generalized fluctuating
hydrodynamics, correlation functions for both the microscopic scale and the
macroscopic scale are obtained. The existence of the long-range correlation
functions obeying power laws has been confirmed. The validity of our
theoretical predictions have been verified from the molecular dynamics
simulation.Comment: 34 pages, 12 figure
Morphology of High-Multiplicity Events in Heavy Ion Collisions
We discuss opportunities that may arise from subjecting high-multiplicity
events in relativistic heavy ion collisions to an analysis similar to the one
used in cosmology for the study of fluctuations of the Cosmic Microwave
Background (CMB). To this end, we discuss examples of how pertinent features of
heavy ion collisions including global characteristics, signatures of collective
flow and event-wise fluctuations are visually represented in a Mollweide
projection commonly used in CMB analysis, and how they are statistically
analyzed in an expansion over spherical harmonic functions. If applied to the
characterization of purely azimuthal dependent phenomena such as collective
flow, the expansion coefficients of spherical harmonics are seen to contain
redundancies compared to the set of harmonic flow coefficients commonly used in
heavy ion collisions. Our exploratory study indicates, however, that these
redundancies may offer novel opportunities for a detailed characterization of
those event-wise fluctuations that remain after subtraction of the dominant
collective flow signatures. By construction, the proposed approach allows also
for the characterization of more complex collective phenomena like higher-order
flow and other sources of fluctuations, and it may be extended to the
characterization of phenomena of non-collective origin such as jets.Comment: Matches version accepted for publication in Physical Review C. 13
pages, 9 figure
Solidification fronts in supercooled liquids: how rapid fronts can lead to disordered glassy solids
We determine the speed of a crystallisation (or more generally, a
solidification) front as it advances into the uniform liquid phase after the
system has been quenched into the crystalline region of the phase diagram. We
calculate the front speed by assuming a dynamical density functional theory
model for the system and applying a marginal stability criterion. Our results
also apply to phase field crystal (PFC) models of solidification. As the
solidification front advances into the unstable liquid phase, the density
profile behind the advancing front develops density modulations and the
wavelength of these modulations is a dynamically chosen quantity. For shallow
quenches, the selected wavelength is precisely that of the crystalline phase
and so well-ordered crystalline states are formed. However, when the system is
deeply quenched, we find that this wavelength can be quite different from that
of the crystal, so that the solidification front naturally generates disorder
in the system. Significant rearrangement and ageing must subsequently occur for
the system to form the regular well-ordered crystal that corresponds to the
free energy minimum. Additional disorder is introduced whenever a front
develops from random initial conditions. We illustrate these findings with
results obtained from the PFC.Comment: 14 pages, 7 figure
On the completeness of quantum computation models
The notion of computability is stable (i.e. independent of the choice of an
indexing) over infinite-dimensional vector spaces provided they have a finite
"tensorial dimension". Such vector spaces with a finite tensorial dimension
permit to define an absolute notion of completeness for quantum computation
models and give a precise meaning to the Church-Turing thesis in the framework
of quantum theory. (Extra keywords: quantum programming languages, denotational
semantics, universality.)Comment: 15 pages, LaTe
Scaling behavior in the dynamics of a supercooled Lennard-Jones mixture
We present the results of a large scale molecular dynamics computer
simulation of a binary, supercooled Lennard-Jones fluid. At low temperatures
and intermediate times the time dependence of the intermediate scattering
function is well described by a von Schweidler law. The von Schweidler exponent
is independent of temperature and depends only weakly on the type of
correlator. For long times the correlation functions show a Kohlrausch behavior
with an exponent that is independent of temperature. This dynamical
behavior is in accordance with the mode-coupling theory of supercooled liquids.Comment: 6 pages, RevTex, three postscript figures available on request,
MZ-Physics-10
ISO far-infrared observations of rich galaxy clusters II. Sersic 159-03
The far-infrared emission from rich galaxy clusters is investigated. Maps
have been obtained by ISO at 60, 100, 135, and 200 microns using the PHT-C
camera. Ground based imaging and spectroscopy were also acquired. Here we
present the results for the cooling flow cluster Sersic 159-03. An infrared
source coincident with the dominant cD galaxy is found. Some off-center sources
are also present, but without any obvious counterparts.Comment: 6 pages, 4 postscript figures, accepted for publication in `Astronomy
and Astrophysics
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