627 research outputs found
The interplay of soft and hard contributions in the electromagnetic pion form factor
We consider various relativistic models for the valence Fock-state wave
function of the pion. These models are obtained from simple instant-form wave
functions by applying a Melosh rotation to the spin part and by imposing
physical constraints on the parameters. We discuss how the soft and the hard
(perturbative) parts of the electromagnetic form factor are affected by the
choice of the model and by the Melosh rotation.Comment: 3 pages, 2 eps-figures, uses espcrc2.st
Absence of non-trivial asymptotic scaling in the Kashchiev model of polynuclear growth
In this brief comment we show that, contrary to previous claims [Bartelt M C
and Evans J W 1993 {\it J.\ Phys.\ A} 2743], the asymptotic
behaviour of the Kashchiev model of polynuclear growth is trivial in all
spatial dimensions, and therefore lies outside the Kardar-Parisi-Zhang
universality class.Comment: 3 pages, 4 postscript figures, uses eps
Test of classical nucleation theory on deeply supercooled high-pressure simulated silica
We test classical nucleation theory (CNT) in the case of simulations of
deeply supercooled, high density liquid silica, as modelled by the BKS
potential. We find that at density ~g/cm, spontaneous nucleation
of crystalline stishovite occurs in conventional molecular dynamics simulations
at temperature T=3000 K, and we evaluate the nucleation rate J directly at this
T via "brute force" sampling of nucleation events. We then use parallel,
constrained Monte Carlo simulations to evaluate , the free energy
to form a crystalline embryo containing n silicon atoms, at T=3000, 3100, 3200
and 3300 K. We find that the prediction of CNT for the n-dependence of fits reasonably well to the data at all T studied, and at 3300 K yields a
chemical potential difference between liquid and stishovite that matches
independent calculation. We find that , the size of the critical nucleus,
is approximately 10 silicon atoms at T=3300 K. At 3000 K, decreases to
approximately 3, and at such small sizes methodological challenges arise in the
evaluation of when using standard techniques; indeed even the
thermodynamic stability of the supercooled liquid comes into question under
these conditions. We therefore present a modified approach that permits an
estimation of at 3000 K. Finally, we directly evaluate at T=3000
K the kinetic prefactors in the CNT expression for J, and find physically
reasonable values; e.g. the diffusion length that Si atoms must travel in order
to move from the liquid to the crystal embryo is approximately 0.2 nm. We are
thereby able to compare the results for J at 3000 K obtained both directly and
based on CNT, and find that they agree within an order of magnitude.Comment: corrected calculation, new figure, accepted in JC
Improving the initial guess for the Newton-Raphson protocol in time-dependent simulations
A general linearisation procedure for the consistent tangent of a
small-strain visco-plastic material model is presented in this note. The
procedure is based on multi-variable linearisation around a so-called
'reference state'. In particular, the linerarisation of the time integration
scheme is found to yield an extra term compared to classical expressions, which
only appears because the material response is time-dependent. It has the effect
of yielding a very accurate initial guess for the Newton-Raphson protocol based
on the ongoing viscous flow. It is shown, using a modern variational FFT-based
solver, that the extra term reduces both the CPU time and the number of
Newton-Raphson iterations by around a factor two.Comment: Journal of Computational Physics, 202
Orientation dependence of heterogeneous nucleation at the Cu–Pb solid-liquid interface
In this work, we examine the effect of surface structure on the heterogeneous nucleation of Pb crystals from the melt at a Cu substrate using molecular-dynamics (MD) simulation. In a previous work [Palafox-Hernandez et al., Acta Mater. 59, 3137 (2011)] studying the Cu/Pb solid-liquid interface with MD simulation, we observed that the structure of the Cu(111) and Cu(100) interfaces was significantly different at 625 K, just above the Pb melting temperature (618 K for the model). The Cu(100) interface exhibited significant surface alloying in the crystal plane in contact with the melt. In contrast, no surface alloying was seen at the Cu(111) interface; however, a prefreezing layer of crystalline Pb, 2-3 atomic planes thick and slightly compressed relative to bulk Pb crystal, was observed to form at the interface. We observe that at the Cu(111) interface the prefreezing layer is no longer present at 750 K, but surface alloying in the Cu(100) interface persists. In a series of undercooling MD simulations, heterogeneous nucleation of fcc Pb is observed at the Cu(111) interface within the simulation time (5 ns) at 592 K—a 26 K undercooling. Nucleation and growth at Cu(111) proceeded layerwise with a nearly planar critical nucleus. Quantitative analysis yielded heterogeneous nucleation barriers that are more than two orders of magnitude smaller than the predicted homogeneous nucleation barriers from classical nucleation theory. Nucleation was considerably more difficult on the Cu(100) surface-alloyed substrate. An undercooling of approximately 170 K was necessary to observe nucleation at this interface within the simulation time. From qualitative observation, the critical nucleus showed a contact angle with the Cu(100) surface of over 90°, indicating poor wetting of the Cu(100) surface by the nucleating phase, which according to classical heterogeneous nucleation theory provides an explanation of the large undercooling necessary to nucleate on the Cu(100) surface, relative to Cu(111), whose surface is more similar to the nucleating phase due to the presence of the prefreezing layer
Nanosecond spin lifetimes in single- and few-layer graphene-hBN heterostructures at room temperature
We present a new fabrication method of graphene spin-valve devices which
yields enhanced spin and charge transport properties by improving both the
electrode-to-graphene and graphene-to-substrate interface. First, we prepare
Co/MgO spin injection electrodes onto Si/SiO. Thereafter, we
mechanically transfer a graphene-hBN heterostructure onto the prepatterned
electrodes. We show that room temperature spin transport in single-, bi- and
trilayer graphene devices exhibit nanosecond spin lifetimes with spin diffusion
lengths reaching 10m combined with carrier mobilities exceeding 20,000
cm/Vs.Comment: 15 pages, 5 figure
A fingerprint of surface-tension anisotropy in the free-energy cost of nucleation
We focus on the Gibbs free energy \u394G for nucleating a droplet of the stable phase (e.g. solid) inside the metastable parent phase (e.g. liquid), close to the first-order transition temperature. This quantity is central to the theory of homogeneous nucleation, since it superintends the nucleation rate. We recently introduced a field theory describing the dependence of \u394G on the droplet volume V, taking into account besides the microscopic fuzziness of the droplet-parent interface, also small fluctuations around the spherical shape whose effect, assuming isotropy, was found to be a characteristic logarithmic term. Here we extend this theory, introducing the effect of anisotropy in the surface tension, and show that in the limit of strong anisotropy \u394G(V) once more develops a term logarithmic on V, now with a prefactor of opposite sign with respect to the isotropic case. Based on this result, we argue that the geometrical shape that large solid nuclei mostly prefer could be inferred from the prefactor of the logarithmic term in the droplet free energy, as determined from the optimization of its near-coexistence profile
Phase-field crystal modelling of crystal nucleation, heteroepitaxy and patterning
We apply a simple dynamical density functional theory, the
phase-field-crystal (PFC) model, to describe homogeneous and heterogeneous
crystal nucleation in 2d monodisperse colloidal systems and crystal nucleation
in highly compressed Fe liquid. External periodic potentials are used to
approximate inert crystalline substrates in addressing heterogeneous
nucleation. In agreement with experiments in 2d colloids, the PFC model
predicts that in 2d supersaturated liquids, crystalline freezing starts with
homogeneous crystal nucleation without the occurrence of the hexatic phase. At
extreme supersaturations crystal nucleation happens after the appearance of an
amorphous precursor phase both in 2d and 3d. We demonstrate that contrary to
expectations based on the classical nucleation theory, corners are not
necessarily favourable places for crystal nucleation. Finally, we show that
adding external potential terms to the free energy, the PFC theory can be used
to model colloid patterning experiments.Comment: 21 pages, 16 figure
Homogeneous nucleation of colloidal melts under the influence of shearing fields
We study the effect of shear flow on homogeneous crystal nucleation, using
Brownian Dynamics simulations in combination with an umbrella sampling like
technique. The symmetry breaking due to shear results in anisotropic radial
distribution functions. The homogeneous shear rate suppresses crystal
nucleation and leads to an increase of the size of the critical nucleus. These
observations can be described by a simple, phenomenological extension of
classical nucleation theory. In addition, we find that nuclei have a
preferential orientation with respect to the direction of shear. On average the
longest dimension of a nucleus is along the vorticity direction, while the
shortest dimension is preferably perpendicular to that and slightly tilted with
respect to the gradient direction.Comment: 10 pages, 8 figures, Submitted to J. Phys.: Condens. Matte
Point island models for nucleation and growth of supported nanoclusters during surface deposition
Point island models (PIMs) are presented for the formation of supported nanoclusters (or islands) during deposition on flat crystalline substrates at lower submonolayer coverages. These models treat islands as occupying a single adsorption site, although carrying a label to track their size (i.e., they suppress island structure). However, they are particularly effective in describing the island size and spatial distributions. In fact, these PIMs provide fundamental insight into the key features for homogeneous nucleation and growth processes on surfaces. PIMs are also versatile being readily adapted to treat both diffusion-limited and attachment-limited growth and also a variety of other nucleation processes with modified mechanisms. Their behavior is readily and precisely assessed by kinetic Monte Carlo simulation
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