8,770 research outputs found
The Asymmetric Exclusion Process revisited: Fluctuations and Dynamics in the Domain Wall Picture
We investigate the total asymmetric exclusion process by analyzing the
dynamics of the shock. Within this approach we are able to calculate the
fluctuations of the number of particles and density profiles not only in the
stationary state but also in the transient regime. We find that the analytical
predictions and the simulation results are in excellent agreement.Comment: 6 figures. Submitted to J. Stat. Phy
The shortcomings of semi-local and hybrid functionals: what we can learn from surface science studies
A study of the adsorption of CO on late 4d and transition metal (111)
surfaces (Ru, Rh, Pd, Ag, Os, Ir, and Pt) considering atop and hollow site
adsorption is presented. The applied functionals include the gradient corrected
PBE and BLYP functional, and the corresponding hybrid Hartree-Fock density
functionals HSE and B3LYP. We find that PBE based hybrid functionals
(specifically HSE) yield, with the exception of Pt, the correct site order on
all considered metals, but they also considerably overestimate the adsorption
energies compared to experiment. On the other hand, the semi-local BLYP
functional and the corresponding hybrid functional B3LYP yield very
satisfactory adsorption energies and the correct adsorption site for all
surfaces. We are thus faced with a Procrustean problem: the B3LYP and BLYP
functionals seem to be the overall best choice for describing adsorption on
metal surfaces, but they simultaneously fail to account well for the properties
of the metal, vastly overestimating the equilibrium volume and underestimating
the atomization energies. Setting out from these observations, general
conclusions are drawn on the relative merits and drawbacks of various
semi-local and hybrid functionals. The discussion includes a revised version of
the PBE functional specifically optimized for bulk properties and surface
energies (PBEsol), a revised version of the PBE functional specifically
optimized to predict accurate adsorption energies (rPBE), as well as the
aforementioned BLYP functional. We conclude that no semi-local functional is
capable to describe all aspects properly, and including non-local exchange also
only improves some, but worsens other properties.Comment: 12 pages, 6 figures; to be published in New Journal of Physic
Statistical Physics of Vehicular Traffic and Some Related Systems
In the so-called "microscopic" models of vehicular traffic, attention is paid
explicitly to each individual vehicle each of which is represented by a
"particle"; the nature of the "interactions" among these particles is
determined by the way the vehicles influence each others' movement. Therefore,
vehicular traffic, modeled as a system of interacting "particles" driven far
from equilibrium, offers the possibility to study various fundamental aspects
of truly nonequilibrium systems which are of current interest in statistical
physics. Analytical as well as numerical techniques of statistical physics are
being used to study these models to understand rich variety of physical
phenomena exhibited by vehicular traffic. Some of these phenomena, observed in
vehicular traffic under different circumstances, include transitions from one
dynamical phase to another, criticality and self-organized criticality,
metastability and hysteresis, phase-segregation, etc. In this critical review,
written from the perspective of statistical physics, we explain the guiding
principles behind all the main theoretical approaches. But we present detailed
discussions on the results obtained mainly from the so-called
"particle-hopping" models, particularly emphasizing those which have been
formulated in recent years using the language of cellular automata.Comment: 170 pages, Latex, figures include
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