2,667 research outputs found
Backward correlations and dynamic heterogeneities: a computer study of ion dynamics
We analyse the correlated back and forth dynamics and dynamic
heterogeneities, i.e. the presence of fast and slow ions, for a lithium
metasilicate system via computer simulations. For this purpose we define, in
analogy to previous work in the field of glass transition, appropriate
three-time correlation functions. They contain information about the dynamics
during two successive time intervals. First we apply them to simple model
systems in order to clarify their information content. Afterwards we use this
formalism to analyse the lithium trajectories. A strong back-dragging effect is
observed, which also fulfills the time-temperature superposition principle.
Furthermore, it turns out that the back-dragging effect is long-ranged and
exceeds the nearest neighbor position. In contrast, the strength of the dynamic
heterogeneities does not fulfill the time-temperature superposition principle.
The lower the temperature, the stronger the mobility difference between fast
and slow ions. The results are then compared with the simple model systems
considered here as well as with some lattice models of ion dynamics.Comment: 12 pages, 10 figure
Complex lithium ion dynamics in simulated LiPO3 glass studied by means of multi-time correlation functions
Molecular dynamics simulations are performed to study the lithium jumps in
LiPO3 glass. In particular, we calculate higher-order correlation functions
that probe the positions of single lithium ions at several times. Three-time
correlation functions show that the non-exponential relaxation of the lithium
ions results from both correlated back-and-forth jumps and the existence of
dynamical heterogeneities, i.e., the presence of a broad distribution of jump
rates. A quantitative analysis yields that the contribution of the dynamical
heterogeneities to the non-exponential depopulation of the lithium sites
increases upon cooling. Further, correlated back-and-forth jumps between
neighboring sites are observed for the fast ions of the distribution, but not
for the slow ions and, hence, the back-jump probability depends on the
dynamical state. Four-time correlation functions indicate that an exchange
between fast and slow ions takes place on the timescale of the jumps
themselves, i.e., the dynamical heterogeneities are short-lived. Hence, sites
featuring fast and slow lithium dynamics, respectively, are intimately mixed.
In addition, a backward correlation beyond the first neighbor shell for highly
mobile ions and the presence of long-range dynamical heterogeneities suggest
that fast ion migration occurs along preferential pathways in the glassy
matrix. In the melt, we find no evidence for correlated back-and-forth motions
and dynamical heterogeneities on the length scale of the next-neighbor
distance.Comment: 12 pages, 13 figure
What does the potential energy landscape tell us about the dynamics of supercooled liquids and glasses?
For a model glass-former we demonstrate via computer simulations how
macroscopic dynamic quantities can be inferred from a PEL analysis. The
essential step is to consider whole superstructures of many PEL minima, called
metabasins, rather than single minima. We show that two types of metabasins
exist: some allowing for quasi-free motion on the PEL (liquid-like), the others
acting as traps (solid-like). The activated, multi-step escapes from the latter
metabasins are found to dictate the slowing down of dynamics upon cooling over
a much broader temperature range than is currently assumed
Simple Lattice-Models of Ion Conduction: Counter Ion Model vs. Random Energy Model
The role of Coulomb interaction between the mobile particles in ionic
conductors is still under debate. To clarify this aspect we perform Monte Carlo
simulations on two simple lattice models (Counter Ion Model and Random Energy
Model) which contain Coulomb interaction between the positively charged mobile
particles, moving on a static disordered energy landscape. We find that the
nature of static disorder plays an important role if one wishes to explore the
impact of Coulomb interaction on the microscopic dynamics. This Coulomb type
interaction impedes the dynamics in the Random Energy Model, but enhances
dynamics in the Counter Ion Model in the relevant parameter range.Comment: To be published in Phys. Rev.
Memetic Multilevel Hypergraph Partitioning
Hypergraph partitioning has a wide range of important applications such as
VLSI design or scientific computing. With focus on solution quality, we develop
the first multilevel memetic algorithm to tackle the problem. Key components of
our contribution are new effective multilevel recombination and mutation
operations that provide a large amount of diversity. We perform a wide range of
experiments on a benchmark set containing instances from application areas such
VLSI, SAT solving, social networks, and scientific computing. Compared to the
state-of-the-art hypergraph partitioning tools hMetis, PaToH, and KaHyPar, our
new algorithm computes the best result on almost all instances
Gold-plated processes at photon colliders
We review the most important topics and objectives of the physics program of
the gamma-gamma, gamma-electron collider (photon collider) option for an e+e-
linear collider.Comment: 36 pages, Latex, 11 figures(ps,eps), Talk at Intern. Workshop on High
Energy Photon Colliders; June 14-17, 2000, DESY, Hamburg, Germany; to be
published in Nucl. Instr. and Methods
The potential energy landscape of a model glass former: thermodynamics, anharmonicities, and finite size effects
It is possible to formulate the thermodynamics of a glass forming system in
terms of the properties of inherent structures, which correspond to the minima
of the potential energy and build up the potential energy landscape in the
high-dimensional configuration space. In this work we quantitatively apply this
general approach to a simulated model glass-forming system. We systematically
vary the system size between N=20 and N=160. This analysis enables us to
determine for which temperature range the properties of the glass former are
governed by the regions of the configuration space, close to the inherent
structures. Furthermore, we obtain detailed information about the nature of
anharmonic contributions. Moreover, we can explain the presence of finite size
effects in terms of specific properties of the energy landscape. Finally,
determination of the total number of inherent structures for very small systems
enables us to estimate the Kauzmann temperature
Monte Carlo Simulation of Universal Short-Time Behavior in Critical Relaxation
The time evolution of the three-dimensional critical Ising model relaxing
from a nonequilibrium initial state is studied by means of Monte Carlo
simulation. We observe the characteristic initial increase of the (spatially)
averaged magnetization predicted by Janssen et al. The exponent theta' that
governs the initial behavior is determined, and the dependence of the long-time
linear decay on the initial magnetization analyzed. Our simulation corroborates
earlier results derived from continuum models.Comment: 9 pages, 4 figures, uuencoded postscript file, Si-94-1
Griffiths singularities in the two dimensional diluted Ising model
We study numerically the probability distribution of the Yang-Lee zeroes
inside the Griffiths phase for the two dimensional site diluted Ising model and
we check that the shape of this distribution is that predicted in previous
analytical works. By studying the finite size scaling of the averaged smallest
zero at the phase transition we extract, for two values of the dilution, the
anomalous dimension, , which agrees very well with the previous estimated
values.Comment: 11 pages and 4 figures, some minor changes in Fig. 4, available at
http://chimera.roma1.infn.it/index_papers_complex.htm
Multiple-Point and Multiple-Time Correlations Functions in a Hard-Sphere Fluid
A recent mode coupling theory of higher-order correlation functions is tested
on a simple hard-sphere fluid system at intermediate densities. Multi-point and
multi-time correlation functions of the densities of conserved variables are
calculated in the hydrodynamic limit and compared to results obtained from
event-based molecular dynamics simulations. It is demonstrated that the mode
coupling theory results are in excellent agreement with the simulation results
provided that dissipative couplings are included in the vertices appearing in
the theory. In contrast, simplified mode coupling theories in which the
densities obey Gaussian statistics neglect important contributions to both the
multi-point and multi-time correlation functions on all time scales.Comment: Second one in a sequence of two (in the first, the formalism was
developed). 12 pages REVTeX. 5 figures (eps). Submitted to Phys.Rev.
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