290 research outputs found
Heterogeneous critical nucleation on a completely-wettable substrate
Heterogeneous nucleation of a new bulk phase on a flat substrate can be
associated with the surface phase transition called wetting transition. When
this bulk heterogeneous nucleation occurs on a completely-wettable flat
substrate with a zero contact angle, the classical nucleation theory predicts
that the free energy barrier of nucleation vanishes. In fact, there always
exist a critical nucleus and a free energy barrier as the first-order
pre-wetting transition will occur even when the contact angle is zero.
Furthermore, the critical nucleus changes its character from the critical
nucleus of surface phase transition below bulk coexistence (undersaturation) to
the critical nucleus of bulk heterogeneous nucleation above the coexistence
(oversaturation) when it crosses the coexistence. Recently, Sear [J.Chem.Phys
{\bf 129}, 164510 (2008)] has shown by a direct numerical calculation of
nucleation rate that the nucleus does not notice this change when it crosses
the coexistence. In our work the morphology and the work of formation of
critical nucleus on a completely-wettable substrate are re-examined across the
coexistence using the interface-displacement model. Indeed, the morphology and
the work of formation changes continuously at the coexistence. Our results
support the prediction of Sear and will rekindle the interest on heterogeneous
nucleation on a completely-wettable substrate.Comment: 11pages, 9 figures, Journal of Chemical Physics to be publishe
Scaling properties of critical bubble of homogeneous nucleation in stretched fluid of square-gradient density-functional model with triple-parabolic free energy
The square-gradient density-functional model with triple-parabolic free
energy is used to study homogeneous bubble nucleation in a stretched liquid to
check the scaling rule for the work of formation of the critical bubble as a
function of scaled undersaturation , the
difference in chemical potential between the bulk undersaturated
and saturated liquid divided by between the liquid
spinodal and saturated liquid. In contrast to our study, a similar
density-functional study for a Lennard-Jones liquid by Shen and Debenedetti [J.
Chem. Phys. {\bf 114}, 4149 (2001)] found that not only the work of formation
but other various quantities related to the critical bubble show the scaling
rule, however, we found virtually no scaling relationships in our model near
the coexistence. Although some quantities show almost perfect scaling relations
near the spinodal, the work of formation divided by the value deduced from the
classical nucleation theory shows no scaling in this model even though it
correctly vanishes at the spinodal. Furthermore, the critical bubble does not
show any anomaly near the spinodal as predicted many years ago. In particular,
our model does not show diverging interfacial width at the spinodal, which is
due to the fact that compressibility remains finite until the spinodal is
reached in our parabolic models.Comment: 10 pages, 10 figures, Journal of Chemical Physics accepted for
publicatio
Steady-state nucleation rate and flux of composite nucleus at saddle point
The steady-state nucleation rate and flux of composite nucleus at the saddle
point is studied by extending the theory of binary nucleation. The
Fokker-Planck equation that describes the nucleation flux is derived using the
Master equation for the growth of the composite nucleus, which consists of the
core of the final stable phase surrounded by a wetting layer of the
intermediate metastable phase nucleated from a metastable parent phase recently
evaluated by the author [J. Chem. Phys. {\bf 134}, 164508 (2011)]. The
Fokker-Planck equation is similar to that used in the theory of binary
nucleation, but the non-diagonal elements exist in the reaction rate matrix.
First, the general solution for the steady-state nucleation rate and the
direction of nucleation flux is derived. Next, this information is then used to
study the nucleation of composite nucleus at the saddle point. The dependence
of steady-state nucleation rate as well as the direction of nucleation flux on
the reaction rate in addition to the free-energy surface is studied using a
model free-energy surface. The direction of nucleation current deviates from
the steepest-descent direction of the free-energy surface. The results show the
importance of two reaction rate constants: one from the metastable environment
to the intermediate metastable phase and the other from the metastable
intermediate phase to the stable new phase. On the other hand, the gradient of
the potential or the Kramers crossover function (the commitment or
splitting probability) is relatively insensitive to reaction rates or
free-energy surface.Comment: 12 pages, 6 figures, to be published in Journal of Chemical Physic
Direct numerical simulation of homogeneous nucleation and growth in a phase-field model using cell dynamics method
Homogeneous nucleation and growth in a simplest two-dimensional phase field
model is numerically studied using the cell dynamics method. Whole process from
nucleation to growth is simulated and is shown to follow closely the
Kolmogorov-Johnson-Mehl-Avrami (KJMA) scenario of phase transformation.
Specifically the time evolution of the volume fraction of new stable phase is
found to follow closely the KJMA formula. By fitting the KJMA formula directly
to the simulation data, not only the Avrami exponent but the magnitude of
nucleation rate and, in particular, of incubation time are quantitatively
studied. The modified Avrami plot is also used to verify the derived KJMA
parameters. It is found that the Avrami exponent is close to the ideal
theoretical value m=3. The temperature dependence of nucleation rate follows
the activation-type behavior expected from the classical nucleation theory. On
the other hand, the temperature dependence of incubation time does not follow
the exponential activation-type behavior. Rather the incubation time is
inversely proportional to the temperature predicted from the theory of
Shneidman and Weinberg [J. Non-Cryst. Solids {\bf 160}, 89 (1993)]. A need to
restrict thermal noise in simulation to deduce correct Avrami exponent is also
discussed.Comment: 9 pages, 8 figures, Journal of Chemical Physics to be publishe
Capillary pressure of van der Waals liquid nanodrops
The dependence of the surface tension on a nanodrop radius is important for
the new-phase formation process. It is demonstrated that the famous Tolman
formula is not unique and the size-dependence of the surface tension can
distinct for different systems. The analysis is based on a relationship between
the surface tension and disjoining pressure in nanodrops. It is shown that the
van der Waals interactions do not affect the new-phase formation thermodynamics
since the effect of the disjoining pressure and size-dependent component of the
surface tension cancel each other.Comment: The paper is dedicated to the 80th anniversary of A.I. Rusano
A New SU UMa-Type Dwarf Nova, QW Serpentis (= TmzV46)
We report on the results of the QW Ser campaign which has been continued from
2000 to 2003 by the VSNET collaboration team. Four long outbursts and many
short ones were caught during this period. Our intensive photometric
observations revealed superhumps with a period of 0.07700(4) d during all four
superoutbursts, proving the SU UMa nature of this star. The recurrence cycles
of the normal outbursts and the superoutbursts were measured to be 50
days and 240(30) days, respectively. The change rate of the superhump period
was -5.8x10^{-5}. The distance and the X-ray luminosity in the range of 0.5-2.4
keV are estimated to be 380(60) pc and log L_x = 31.0 \pm 0.1 erg s^{-1}. These
properties have typical values for an SU UMa-type dwarf nova with this
superhump period.Comment: 9 pages, 12 figures, to appear in the VSNET special issue of PAS
Nucleation and Bulk Crystallization in Binary Phase Field Theory
We present a phase field theory for binary crystal nucleation. In the
one-component limit, quantitative agreement is achieved with computer
simulations (Lennard-Jones system) and experiments (ice-water system) using
model parameters evaluated from the free energy and thickness of the interface.
The critical undercoolings predicted for Cu-Ni alloys accord with the
measurements, and indicate homogeneous nucleation. The Kolmogorov exponents
deduced for dendritic solidification and for "soft-impingement" of particles
via diffusion fields are consistent with experiment.Comment: 4 pages, 4 figures, accepted to PR
Monte Carlo Methods for Estimating Interfacial Free Energies and Line Tensions
Excess contributions to the free energy due to interfaces occur for many
problems encountered in the statistical physics of condensed matter when
coexistence between different phases is possible (e.g. wetting phenomena,
nucleation, crystal growth, etc.). This article reviews two methods to estimate
both interfacial free energies and line tensions by Monte Carlo simulations of
simple models, (e.g. the Ising model, a symmetrical binary Lennard-Jones fluid
exhibiting a miscibility gap, and a simple Lennard-Jones fluid). One method is
based on thermodynamic integration. This method is useful to study flat and
inclined interfaces for Ising lattices, allowing also the estimation of line
tensions of three-phase contact lines, when the interfaces meet walls (where
"surface fields" may act). A generalization to off-lattice systems is described
as well.
The second method is based on the sampling of the order parameter
distribution of the system throughout the two-phase coexistence region of the
model. Both the interface free energies of flat interfaces and of (spherical or
cylindrical) droplets (or bubbles) can be estimated, including also systems
with walls, where sphere-cap shaped wall-attached droplets occur. The
curvature-dependence of the interfacial free energy is discussed, and estimates
for the line tensions are compared to results from the thermodynamic
integration method. Basic limitations of all these methods are critically
discussed, and an outlook on other approaches is given
Surface Structure of Liquid Metals and the Effect of Capillary Waves: X-ray Studies on Liquid Indium
We report x-ray reflectivity (XR) and small angle off-specular diffuse
scattering (DS) measurements from the surface of liquid Indium close to its
melting point of C. From the XR measurements we extract the surface
structure factor convolved with fluctuations in the height of the liquid
surface. We present a model to describe DS that takes into account the surface
structure factor, thermally excited capillary waves and the experimental
resolution. The experimentally determined DS follows this model with no
adjustable parameters, allowing the surface structure factor to be deconvolved
from the thermally excited height fluctuations. The resulting local electron
density profile displays exponentially decaying surface induced layering
similar to that previously reported for Ga and Hg. We compare the details of
the local electron density profiles of liquid In, which is a nearly free
electron metal, and liquid Ga, which is considerably more covalent and shows
directional bonding in the melt. The oscillatory density profiles have
comparable amplitudes in both metals, but surface layering decays over a length
scale of \AA for In and \AA for Ga. Upon controlled
exposure to oxygen, no oxide monolayer is formed on the liquid In surface,
unlike the passivating film formed on liquid Gallium.Comment: 9 pages, 5 figures; submitted to Phys. Rev.
The Cyprinodon variegatus genome reveals gene expression changes underlying differences in skull morphology among closely related species
Genes in durophage intersection set at 15 dpf. This is a comma separated table of the genes in the 15 dpf durophage intersection set. Given are edgeR results for each pairwise comparison. Columns indicating whether a gene is included in the intersection set at a threshold of 1.5 or 2 fold are provided. (CSV 13 kb
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