4,478 research outputs found
Charge regulation and ionic screening of patchy surfaces
The properties of surfaces with charge-regulated patches are studied using
non-linear Poisson-Boltzmann theory. Using a mode expansion to solve the
non-linear problem efficiently, we reveal the charging behaviour of
Debye-length sized patches. We find that patches charge up to higher charge
densities if their size is relatively small and if the patches are well
separated. The numerical results are used to construct a basic analytical model
which predicts the average surface charge density on surfaces with patchy
chargeable groups.Comment: 9 figure
Nonextensive diffusion as nonlinear response
The porous media equation has been proposed as a phenomenological
``non-extensive'' generalization of classical diffusion. Here, we show that a
very similar equation can be derived, in a systematic manner, for a classical
fluid by assuming nonlinear response, i.e. that the diffusive flux depends on
gradients of a power of the concentration. The present equation distinguishes
from the porous media equation in that it describes \emph{% generalized
classical} diffusion, i.e. with scaling, but with a generalized
Einstein relation, and with power-law probability distributions typical of
nonextensive statistical mechanics
Lattice gas with ``interaction potential''
We present an extension of a simple automaton model to incorporate non-local
interactions extending over a spatial range in lattice gases. {}From the
viewpoint of Statistical Mechanics, the lattice gas with interaction range may
serve as a prototype for non-ideal gas behavior. {}From the density
fluctuations correlation function, we obtain a quantity which is identified as
a potential of mean force. Equilibrium and transport properties are computed
theoretically and by numerical simulations to establish the validity of the
model at macroscopic scale.Comment: 12 pages LaTeX, figures available on demand ([email protected]
Questioning the validity of non-extensive thermodynamics for classical Hamiltonian systems
We examine the non-extensive approach to the statistical mechanics of
Hamiltonian systems with where is the classical kinetic energy. Our
analysis starts from the basics of the formalism by applying the standard
variational method for maximizing the entropy subject to the average energy and
normalization constraints. The analytical results show (i) that the
non-extensive thermodynamics formalism should be called into question to
explain experimental results described by extended exponential distributions
exhibiting long tails, i.e. -exponentials with , and (ii) that in the
thermodynamic limit the theory is only consistent in the range
where the distribution has finite support, thus implying that configurations
with e.g. energy above some limit have zero probability, which is at variance
with the physics of systems in contact with a heat reservoir. We also discuss
the (-dependent) thermodynamic temperature and the generalized specific
heat.Comment: To appear in EuroPhysics Letter
Is the Tsallis entropy stable?
The question of whether the Tsallis entropy is Lesche-stable is revisited. It
is argued that when physical averages are computed with the escort
probabilities, the correct application of the concept of Lesche-stability
requires use of the escort probabilities. As a consequence, as shown here, the
Tsallis entropy is unstable but the thermodynamic averages are stable. We
further show that Lesche stability as well as thermodynamic stability can be
obtained if the homogeneous entropy is used as the basis of the formulation of
non-extensive thermodynamics. In this approach, the escort distribution arises
naturally as a secondary structure.Comment: 6 page
Observations on a viscoseal in a transparent housing - The prevention of leakage and breakdown
Leakage and breakdown prevention in transparently housed viscoshaft seal with visual observatio
A generalized Chudley-Elliott vibration-jump model in activated atom surface diffusion
Here the authors provide a generalized Chudley-Elliott expression for
activated atom surface diffusion which takes into account the coupling between
both low-frequency vibrational motion (namely, the frustrated translational
modes) and diffusion. This expression is derived within the Gaussian
approximation framework for the intermediate scattering function at low
coverage. Moreover, inelastic contributions (arising from creation and
annihilation processes) to the full width at half maximum of the quasi-elastic
peak are also obtained.Comment: (5 pages, 2 figures; revised version
A repulsive reference potential reproducing the dynamics of a liquid with attractions
A well-known result of liquid state theory is that the structure of dense
fluids is mainly determined by repulsive forces. The WCA potential, which cuts
intermolecular potentials at their minima, is therefore often used as a
reference. However, this reference gives quite wrong results for the viscous
dynamics of the Kob-Andersen binary Lennard-Jones liquid [Berthier and Tarjus,
Phys. Rev. Lett. 103, 170601 (2009)]. We show that repulsive inverse-power law
potentials provide a useful reference for this liquid by reproducing its
structure, dynamics, and isochoric heat capacity
Thermodiffusion in model nanofluids by molecular dynamics simulations
In this work, a new algorithm is proposed to compute single particle
(infinite dilution) thermodiffusion using Non-Equilibrium Molecular Dynamics
simulations through the estimation of the thermophoretic force that applies on
a solute particle. This scheme is shown to provide consistent results for
simple Lennard-Jones fluids and for model nanofluids (spherical non-metallic
nanoparticles + Lennard-Jones fluid) where it appears that thermodiffusion
amplitude, as well as thermal conductivity, decrease with nanoparticles
concentration. Then, in nanofluids in the liquid state, by changing the nature
of the nanoparticle (size, mass and internal stiffness) and of the solvent
(quality and viscosity) various trends are exhibited. In all cases the single
particle thermodiffusion is positive, i.e. the nanoparticle tends to migrate
toward the cold area. The single particle thermal diffusion 2 coefficient is
shown to be independent of the size of the nanoparticle (diameter of 0.8 to 4
nm), whereas it increases with the quality of the solvent and is inversely
proportional to the viscosity of the fluid. In addition, this coefficient is
shown to be independent of the mass of the nanoparticle and to increase with
the stiffness of the nanoparticle internal bonds. Besides, for these
configurations, the mass diffusion coefficient behavior appears to be
consistent with a Stokes-Einstein like law
Exact dynamic properties of molecular motors
Molecular motors play important roles within a biological cell, performing functions such as intracellular transport and gene transcription. Recent experimental work suggests that there are many plausible biochemical mechanisms that molecules such as myosin-V could use to achieve motion. To account for the abundance of possible discrete-stochastic frameworks that can arise when modeling molecular motor walks, a generalized and straightforward graphical method for calculating their dynamic properties is presented. It allows the calculation of the velocity, dispersion, and randomness ratio for any proposed system through analysis of its structure. This article extends work of King and Altman ["A schematic method of deriving the rate laws of enzyme-catalyzed reactions," J. Phys. Chem. 60, 1375-1378 (1956)] on networks of enzymatic reactions by calculating additional dynamic properties for spatially hopping systems. Results for n-state systems are presented: single chain, parallel pathway, divided pathway, and divided pathway with a chain. A novel technique for combining multiple system architectures coupled at a reference state is also demonstrated. Four-state examples illustrate the effectiveness and simplicity of these methods
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