Search results for "Nucleation"
showing 10 items of 364 documents
Sub-critical InAs layers on metamorphic InGaAs for single quantum dot emission at telecom wavelengths
2014
We report on the design, the growth by MBE and the optical and morphological characterization of metamorphic InAs/InGaAs quantum dots (QD) with a density low enough to allow single dot characterization without the need of complex litographic steps to isolate single QDs. InAs sub-critical coverages were deposited on InxGa1-xAs metamorphic buffers (MBs) and the transition from 2D growth to 3D island nucleation was monitored by reflection high energy electron diffraction (RHEED). We discuss the fundamental differences of the sub-critical growth method compared with the Stranski-Krastanow one, also by considering available theoretical models. AFM confirmed that the density of QDs can be control…
Curvature dependence of surface free energy of liquid drops and bubbles: A simulation study.
2010
We study the excess free energy due to phase coexistence of fluids by Monte Carlo simulations using successive umbrella sampling in finite LxLxL boxes with periodic boundary conditions. Both the vapor-liquid phase coexistence of a simple Lennard-Jones fluid and the coexistence between A-rich and B-rich phases of a symmetric binary (AB) Lennard-Jones mixture are studied, varying the density rho in the simple fluid or the relative concentration x_A of A in the binary mixture, respectively. The character of phase coexistence changes from a spherical droplet (or bubble) of the minority phase (near the coexistence curve) to a cylindrical droplet (or bubble) and finally (in the center of the misc…
Exponential and power-law mass distributions in brittle fragmentation
2004
Generic arguments, a minimal numerical model, and fragmentation experiments with gypsum disk are used to investigate the fragment-size distribution that results from dynamic brittle fragmentation. Fragmentation is initiated by random nucleation of cracks due to material inhomogeneities, and its dynamics are pictured as a process of propagating cracks that are unstable against side-branch formation. The initial cracks and side branches both merge mutually to form fragments. The side branches have a finite penetration depth as a result of inherent damping. Generic arguments imply that close to the minimum strain (or impact energy) required for fragmentation, the number of fragments of size $s…
Monte Carlo Test of the Classical Theory for Heterogeneous Nucleation Barriers
2010
Flat walls facilitate the condensation of a supersaturated vapor: Classical theory of heterogeneous nucleation predicts that the free energy barrier $\Delta F_{\rm het}^*$ which needs to be overcome for the formation of sphere-cap shaped nucleation seeds is smaller than the barrier $\Delta F^*_{\rm hom}$ for spherical droplets in the bulk by a factor $0<f(\theta)<1$, which only depends on the contact angle $\theta$. In this letter we compute both $\Delta F^*_{\rm hom}$ and $\Delta F^*_{\rm het}$ from Monte Carlo simulations and test the theory for the lattice gas model (for which $\theta$ can be readily controlled). Even though the theory is only based on macroscopic arguments, it is shown …
Simple monoclinic crystal phase in suspensions of hard ellipsoids
2006
We present a computer simulation study on the crystalline phases of hard ellipsoids of revolution. For aspect ratios $\ensuremath{\geqslant}3$ the previously suggested stretched-fcc phase [Frenkel and Mulder, Mol. Phys. 55, 1171 (1985)] is replaced by a different crystalline phase. Its unit cell contains two ellipsoids with unequal orientations. The lattice is simple monoclinic. The angle of inclination of the lattice, $\ensuremath{\beta}$, is a very soft degree of freedom, while the two right angles are stiff. For one particular value of $\ensuremath{\beta}$, the close-packed version of this crystal is a specimen of the family of superdense packings recently reported [Donev et al., Phys. R…
Nucleation kinetics in deionized charged colloidal model systems: A quantitative study by means of classical nucleation theory
2007
We have studied the nucleation kinetics of charged colloidal model systems under salt free conditions crystallizing in bcc structure covering a wide range of particle number densities $18\phantom{\rule{0.3em}{0ex}}\mathrm{\ensuremath{\mu}}{\mathrm{m}}^{\ensuremath{-}3}\ensuremath{\le}n\ensuremath{\le}66.3\phantom{\rule{0.3em}{0ex}}\mathrm{\ensuremath{\mu}}{\mathrm{m}}^{\ensuremath{-}3}$. We employed direct video-microscopic observation of individual nucleation events to obtain time resolved nucleation rate densities. Polarization microscopy and static light scattering on the resulting solids in combination with Avrami theory is used to determine the steady state nucleation rate at high unde…
Theory of first-order phase transitions
1987
An introductory review of various concepts about first-order phase transitions is given. Rules for classification of phase transitions as second or first order are discussed, as well as exceptions to these rules. Attention is drawn to the rounding of first-order transitions due to finite-size or quenched impurities. Computational methods to calculate phase diagrams for simple model Hamiltonians are also described. Particular emphasis is laid on metastable states near first-order phase transitions, on the 'stability limits' of such states (e.g. the 'spinodal curve' of the gas-liquid transition) and on the dynamic mechanisms by which metastable states decay (nucleation and growth of droplets …
Overview: Understanding nucleation phenomena from simulations of lattice gas models
2016
Monte Carlo simulations of homogeneous and heterogeneous nucleation in Ising/lattice gas models are reviewed with an emphasis on the general insight gained on the mechanisms by which metastable states decay. Attention is paid to the proper distinction of particles that belong to a cluster (droplet), that may trigger a nucleation event, from particles in its environment, a problem crucial near the critical point. Well below the critical point, the lattice structure causes an anisotropy of the interface tension, and hence nonspherical droplet shapes result, making the treatment nontrivial even within the conventional classical theory of homogeneous nucleation. For temperatures below the rough…
Effective Cahn-Hilliard Equation for the Phase Separation of Active Brownian Particles
2014
The kinetic separation of repulsive active Brownian particles into a dense and a dilute phase is analyzed using a systematic coarse-graining strategy. We derive an effective Cahn-Hilliard equation on large length and time scales, which implies that the separation process can be mapped onto that of passive particles. A lower density threshold for clustering is found, and using our approach we demonstrate that clustering first proceeds via a hysteretic nucleation scenario and above a higher threshold changes into a spinodal-like instability. Our results are in agreement with particle-resolved computer simulations and can be verified in experiments of artificial or biological microswimmers.
Crystallization of hard spheres revisited. I. Extracting kinetics and free energy landscape from forward flux sampling
2018
We investigate the kinetics and the free energy landscape of the crystallization of hard spheres from a supersaturated metastable liquid though direct simulations and forward flux sampling. In this first paper, we describe and test two different ways to reconstruct the free energy barriers from the sampled steady state probability distribution of cluster sizes without sampling the equilibrium distribution. The first method is based on mean first passage times, and the second method is based on splitting probabilities. We verify both methods for a single particle moving in a double-well potential. For the nucleation of hard spheres, these methods allow us to probe a wide range of supersatura…